==== 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 2C8B . COMPND 2 MOLECULE: MONO-ADP-RIBOSYLTRANSFERASE C3; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BOTULINUM D BACTERIOPHAGE; . AUTHOR E.A.STURA,J.MENETREY,G.FLATAU,P.BOQUET,A.MENEZ . 201 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10294.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 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 . 14 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 26.4 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 1 0 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 PARALLEL BRIDGES PER LADDER . 3 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 45 X T 0 0 164 0, 0.0 2,-0.5 0, 0.0 78,-0.2 0.000 360.0 360.0 360.0 147.1 12.1 -4.9 -12.4 2 46 X Y - 0 0 72 76,-0.1 78,-0.3 149,-0.1 2,-0.3 -0.947 360.0-120.3-115.5 125.8 14.0 -3.4 -9.5 3 47 X Q B -a 80 0A 59 76,-2.1 78,-3.0 -2,-0.5 2,-0.5 -0.455 27.1-170.7 -65.2 124.4 17.6 -2.2 -10.0 4 48 X E - 0 0 87 -2,-0.3 2,-0.2 76,-0.2 130,-0.1 -0.967 17.8-137.3-118.7 112.8 20.1 -4.0 -7.7 5 49 X F + 0 0 5 -2,-0.5 3,-0.1 128,-0.5 75,-0.0 -0.492 25.8 173.7 -68.7 132.3 23.6 -2.5 -7.7 6 50 X T + 0 0 116 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.298 66.4 62.6-117.1 1.9 26.4 -5.0 -7.8 7 51 X N > - 0 0 78 1,-0.1 4,-2.1 0, 0.0 3,-0.4 -0.980 69.0-150.1-134.6 121.2 29.2 -2.5 -8.1 8 52 X I H > S+ 0 0 81 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.790 96.5 55.7 -64.4 -32.5 30.0 0.0 -5.3 9 53 X D H > S+ 0 0 120 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 110.1 45.9 -66.0 -41.4 31.4 2.7 -7.7 10 54 X Q H > S+ 0 0 100 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.902 113.7 50.0 -63.6 -42.6 28.1 2.6 -9.8 11 55 X A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.940 112.0 46.4 -62.5 -49.8 26.1 2.7 -6.6 12 56 X K H X S+ 0 0 96 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.898 112.3 50.8 -58.4 -45.7 28.0 5.7 -5.2 13 57 X A H X S+ 0 0 61 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.910 112.6 46.4 -59.2 -43.3 27.8 7.6 -8.5 14 58 X W H X S+ 0 0 39 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.924 113.9 47.5 -67.8 -45.4 24.0 7.0 -8.7 15 59 X G H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 3,-0.3 0.929 111.1 50.3 -62.6 -47.4 23.4 8.1 -5.1 16 60 X N H X S+ 0 0 50 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.872 107.2 55.4 -58.6 -39.4 25.6 11.2 -5.4 17 61 X A H < S+ 0 0 42 -4,-1.9 4,-0.4 -5,-0.2 -1,-0.2 0.853 110.5 45.4 -61.6 -37.7 23.7 12.2 -8.6 18 62 X Q H >X S+ 0 0 17 -4,-1.6 3,-1.2 -3,-0.3 4,-0.5 0.923 111.1 53.2 -69.1 -45.2 20.4 12.0 -6.7 19 63 X Y H >< S+ 0 0 51 -4,-2.6 3,-1.1 1,-0.3 4,-0.4 0.871 104.0 55.2 -58.9 -39.4 21.8 13.9 -3.7 20 64 X K T 3< S+ 0 0 179 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.673 108.4 50.7 -71.7 -15.4 23.0 16.8 -5.8 21 65 X K T <4 S+ 0 0 158 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.501 84.4 88.3 -96.7 -8.0 19.4 17.2 -7.2 22 66 X Y S << S- 0 0 19 -3,-1.1 -1,-0.1 -4,-0.5 -2,-0.1 0.830 70.8-152.4 -66.9 -35.3 17.5 17.3 -3.9 23 67 X G - 0 0 59 -4,-0.4 -1,-0.1 1,-0.2 -3,-0.1 0.891 24.2-175.2 62.0 40.3 17.7 21.1 -3.3 24 68 X L - 0 0 22 1,-0.1 -1,-0.2 49,-0.1 2,-0.1 -0.375 21.6-120.1 -64.3 144.3 17.4 20.6 0.5 25 69 X S > - 0 0 47 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.318 26.8-106.4 -72.5 166.2 17.2 23.7 2.7 26 70 X K H > S+ 0 0 150 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.908 122.7 48.8 -58.4 -44.5 19.8 24.4 5.4 27 71 X S H > S+ 0 0 54 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.847 110.0 50.5 -69.3 -36.1 17.2 23.5 8.1 28 72 X E H > S+ 0 0 9 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.913 110.8 49.4 -66.6 -43.8 16.3 20.2 6.3 29 73 X K H X S+ 0 0 74 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.932 111.3 50.1 -57.2 -47.8 20.0 19.3 6.0 30 74 X E H X S+ 0 0 109 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.857 108.7 52.4 -60.1 -38.5 20.5 20.0 9.7 31 75 X A H X S+ 0 0 3 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.877 110.1 47.9 -67.0 -39.1 17.4 17.9 10.6 32 76 X I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.919 112.3 48.9 -68.1 -44.4 18.8 14.9 8.7 33 77 X V H X S+ 0 0 29 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.941 111.7 49.6 -58.9 -47.4 22.3 15.3 10.3 34 78 X S H X S+ 0 0 37 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.863 109.8 52.5 -59.6 -37.3 20.6 15.5 13.7 35 79 X Y H >< S+ 0 0 5 -4,-1.9 3,-0.6 1,-0.2 4,-0.3 0.914 107.0 50.6 -66.1 -43.4 18.6 12.4 12.9 36 80 X T H 3< S+ 0 0 14 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.836 110.1 51.6 -64.3 -31.7 21.8 10.4 11.9 37 81 X K H 3< S+ 0 0 116 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.722 126.7 23.5 -75.1 -23.2 23.4 11.4 15.2 38 82 X S S S+ 0 0 26 -3,-0.5 4,-2.4 -4,-0.3 5,-0.2 0.882 73.4 43.7 -57.9 -51.3 18.8 7.7 14.9 40 84 X S H > S+ 0 0 82 1,-0.2 4,-1.4 -4,-0.2 -1,-0.2 0.898 116.7 47.8 -64.1 -38.6 18.4 4.7 17.3 41 85 X E H > S+ 0 0 126 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.904 113.1 46.9 -70.3 -41.8 17.1 6.9 20.1 42 86 X I H X S+ 0 0 17 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.915 109.3 54.0 -66.7 -43.3 14.5 8.8 17.9 43 87 X N H X S+ 0 0 12 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.847 104.9 56.3 -61.4 -33.5 13.2 5.6 16.3 44 88 X G H X S+ 0 0 20 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.907 107.0 47.1 -62.8 -45.1 12.5 4.2 19.8 45 89 X K H X S+ 0 0 109 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.847 109.9 53.8 -67.2 -34.9 10.3 7.1 20.8 46 90 X L H <>S+ 0 0 0 -4,-1.9 5,-2.3 1,-0.2 4,-0.5 0.903 109.6 49.0 -64.4 -39.2 8.4 6.9 17.5 47 91 X R H ><5S+ 0 0 117 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.907 110.2 49.5 -67.5 -42.3 7.8 3.2 18.2 48 92 X Q H 3<5S+ 0 0 141 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.815 117.3 40.9 -67.3 -31.7 6.5 3.8 21.8 49 93 X N T ><5S- 0 0 66 -4,-1.6 3,-1.4 -5,-0.1 -1,-0.2 0.376 107.5-123.7 -98.5 1.1 4.1 6.6 20.7 50 94 X K T < 5S- 0 0 127 -3,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.865 74.9 -49.2 54.4 41.0 3.0 4.8 17.5 51 95 X G T 3 + 0 0 18 -2,-0.8 3,-1.8 1,-0.1 -1,-0.1 0.388 47.7 102.1-103.1 0.8 4.8 13.2 17.9 54 98 X N T 3 S+ 0 0 142 1,-0.3 -1,-0.1 7,-0.0 7,-0.1 0.841 82.7 50.2 -56.7 -36.7 2.4 15.8 19.4 55 99 X G T 3 S+ 0 0 72 -3,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.510 88.6 106.9 -80.9 -6.6 3.8 15.1 22.9 56 100 X F S < S- 0 0 20 -3,-1.8 -3,-0.0 1,-0.1 5,-0.0 -0.259 85.3 -84.4 -65.4 158.0 7.4 15.5 21.9 57 101 X P > - 0 0 88 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.278 43.1-109.0 -57.1 154.0 9.4 18.6 22.9 58 102 X S H > S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.885 118.1 47.5 -56.9 -47.3 9.0 21.6 20.6 59 103 X N H > S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.842 112.6 49.9 -63.6 -36.8 12.6 21.4 19.1 60 104 X L H > S+ 0 0 40 2,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.875 108.9 51.9 -69.3 -39.6 12.2 17.6 18.6 61 105 X I H X S+ 0 0 30 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.894 109.3 50.6 -61.9 -41.9 8.9 18.1 16.8 62 106 X K H X S+ 0 0 110 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.895 111.1 48.2 -65.4 -41.3 10.4 20.7 14.5 63 107 X Q H X S+ 0 0 68 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.937 114.1 45.9 -61.9 -48.9 13.3 18.4 13.6 64 108 X V H X S+ 0 0 4 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.886 114.0 48.8 -64.1 -40.4 11.0 15.4 12.9 65 109 X E H X S+ 0 0 99 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.886 111.2 49.2 -70.1 -38.4 8.6 17.6 10.8 66 110 X L H X S+ 0 0 31 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.925 113.2 47.9 -63.1 -45.4 11.5 19.0 8.8 67 111 X L H X S+ 0 0 4 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.941 111.9 49.3 -60.7 -47.3 12.8 15.5 8.2 68 112 X D H >< S+ 0 0 43 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.907 114.3 45.3 -57.1 -42.8 9.3 14.3 7.2 69 113 X K H >< S+ 0 0 133 -4,-2.3 3,-1.7 1,-0.2 4,-0.3 0.777 99.1 69.4 -77.2 -26.2 8.9 17.2 4.8 70 114 X S H >< S+ 0 0 0 -4,-2.0 3,-1.8 1,-0.3 4,-0.4 0.782 85.2 71.6 -62.5 -27.1 12.4 16.8 3.3 71 115 X F G X< S+ 0 0 1 -4,-0.9 3,-0.6 -3,-0.7 -1,-0.3 0.708 79.3 74.7 -64.7 -20.2 11.2 13.6 1.7 72 116 X N G < S+ 0 0 93 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.814 105.0 38.3 -52.8 -31.8 9.0 15.7 -0.7 73 117 X K G < S+ 0 0 83 -3,-1.8 2,-0.7 -4,-0.3 -1,-0.2 0.488 106.1 72.5 -97.0 -10.1 12.4 16.4 -2.4 74 118 X M < + 0 0 0 -3,-0.6 82,-2.2 -4,-0.4 2,-0.3 -0.838 59.4 142.3-118.8 90.4 14.0 13.0 -2.0 75 119 X K B -I 155 0B 99 -2,-0.7 80,-0.2 80,-0.3 79,-0.1 -0.959 50.9-112.8-128.9 145.6 12.4 10.4 -4.3 76 120 X T - 0 0 3 78,-2.3 77,-3.0 -2,-0.3 78,-0.2 -0.626 15.1-149.3 -78.8 134.4 13.9 7.6 -6.3 77 121 X P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 75,-0.1 0.460 78.2 25.8 -80.7 -3.1 13.8 8.1 -10.1 78 122 X E S S- 0 0 56 73,-0.1 2,-0.2 76,-0.1 76,-0.1 -0.981 96.6 -79.4-151.1 160.3 13.6 4.3 -10.7 79 123 X N - 0 0 50 -2,-0.3 -76,-2.1 -78,-0.2 2,-0.3 -0.478 61.1-179.0 -55.3 129.4 12.5 1.0 -9.2 80 124 X I E -aB 3 150A 0 70,-2.7 70,-3.0 -78,-0.3 2,-0.5 -0.985 30.4-131.8-143.8 148.3 15.3 0.1 -6.8 81 125 X M E - B 0 149A 15 -78,-3.0 -76,-0.4 -2,-0.3 2,-0.3 -0.875 25.8-170.1 -97.1 129.7 16.4 -2.7 -4.4 82 126 X L E - B 0 148A 0 66,-2.3 66,-3.0 -2,-0.5 2,-0.3 -0.889 8.6-142.5-121.2 154.4 17.6 -1.6 -0.9 83 127 X F E +CB 132 147A 14 49,-2.8 49,-2.4 -2,-0.3 2,-0.3 -0.887 17.0 176.0-124.8 145.5 19.2 -3.7 1.8 84 128 X R E - B 0 146A 46 62,-1.8 62,-2.9 -2,-0.3 2,-0.4 -0.996 16.3-148.4-146.5 139.1 19.1 -3.9 5.5 85 129 X G E - B 0 145A 0 -2,-0.3 2,-0.3 60,-0.2 60,-0.2 -0.869 22.1-179.9-105.3 144.3 20.7 -6.2 8.1 86 130 X D E - B 0 144A 24 58,-2.5 58,-1.6 -2,-0.4 -2,-0.0 -0.961 23.8-123.3-141.5 158.6 18.9 -7.1 11.4 87 131 X D > - 0 0 84 -2,-0.3 3,-2.1 55,-0.2 4,-0.3 -0.513 45.3 -91.2 -95.0 166.2 19.5 -9.1 14.5 88 132 X P G > S+ 0 0 18 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.774 118.6 68.6 -50.6 -36.2 17.1 -11.8 15.8 89 133 X A G > S+ 0 0 50 1,-0.3 3,-1.4 7,-0.2 7,-0.2 0.684 81.4 77.9 -60.8 -20.2 14.9 -9.5 17.9 90 134 X Y G < S+ 0 0 26 -3,-2.1 -1,-0.3 1,-0.3 3,-0.1 0.807 92.8 51.9 -53.9 -32.0 13.7 -7.8 14.7 91 135 X L G < S- 0 0 2 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.558 130.8 -72.5 -83.8 -9.2 11.4 -10.9 14.3 92 136 X G X> - 0 0 16 -3,-1.4 3,-1.7 -4,-0.3 4,-0.9 -0.478 46.7 -81.0 130.9 159.0 10.0 -10.5 17.9 93 137 X T H 3> S+ 0 0 124 1,-0.3 4,-0.5 2,-0.2 3,-0.5 0.826 125.2 62.5 -59.4 -32.5 11.1 -11.0 21.5 94 138 X E H 34 S+ 0 0 96 1,-0.2 -1,-0.3 2,-0.1 -5,-0.1 0.644 106.8 44.4 -67.9 -17.8 10.3 -14.7 21.1 95 139 X F H X> S+ 0 0 9 -3,-1.7 4,-1.8 -7,-0.1 3,-0.9 0.587 87.3 90.7 -98.6 -16.5 13.0 -15.0 18.4 96 140 X Q H 3< S+ 0 0 103 -4,-0.9 -7,-0.2 -3,-0.5 4,-0.1 0.886 105.1 19.2 -48.4 -49.1 15.8 -12.9 20.1 97 141 X N T 3< S+ 0 0 143 -4,-0.5 -1,-0.3 1,-0.1 -2,-0.1 0.276 127.6 51.1-108.7 8.9 17.4 -15.9 21.9 98 142 X T T <4 S+ 0 0 76 -3,-0.9 12,-0.2 1,-0.0 -2,-0.2 0.504 80.2 84.9-124.6 -8.7 16.0 -18.8 19.7 99 143 X L S < S+ 0 0 1 -4,-1.8 8,-2.8 11,-0.1 2,-0.3 0.811 86.8 57.5 -69.5 -29.7 16.6 -17.9 16.1 100 144 X L B -J 106 0C 77 6,-0.3 2,-0.2 -5,-0.2 6,-0.2 -0.754 66.9-139.5-111.9 147.6 20.2 -19.3 16.0 101 145 X N > - 0 0 55 4,-2.8 3,-1.7 -2,-0.3 6,-0.0 -0.624 38.1-109.2 -83.8 158.7 22.0 -22.6 16.6 102 146 X S T 3 S+ 0 0 136 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.725 116.2 65.9 -64.8 -21.6 25.4 -22.4 18.4 103 147 X N T 3 S- 0 0 116 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.386 120.8-104.7 -82.1 6.1 27.2 -23.3 15.1 104 148 X G S < S+ 0 0 35 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.368 81.7 123.8 90.9 -4.7 26.0 -20.0 13.6 105 149 X T S S- 0 0 30 1,-0.1 -4,-2.8 -5,-0.0 -1,-0.3 -0.578 71.1-102.2 -84.8 151.4 23.3 -21.5 11.4 106 150 X I B -J 100 0C 0 84,-2.7 2,-0.4 -6,-0.2 -6,-0.3 -0.562 40.9-112.4 -64.8 130.3 19.7 -20.3 11.5 107 151 X N > - 0 0 46 -8,-2.8 4,-2.2 -2,-0.3 5,-0.1 -0.586 23.5-144.4 -67.0 125.8 17.6 -22.9 13.4 108 152 X K H > S+ 0 0 121 -2,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.816 97.1 51.3 -73.0 -30.4 15.4 -24.3 10.8 109 153 X T H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.911 110.3 49.3 -68.6 -43.4 12.4 -24.8 13.1 110 154 X A H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.891 110.0 53.0 -60.6 -39.0 12.7 -21.1 14.2 111 155 X F H X S+ 0 0 26 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.917 106.1 52.2 -60.7 -45.7 12.8 -20.2 10.6 112 156 X E H X S+ 0 0 133 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.899 112.0 46.7 -57.5 -41.2 9.6 -22.1 9.9 113 157 X K H X S+ 0 0 129 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.878 110.9 51.2 -69.8 -39.1 8.0 -20.2 12.7 114 158 X A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.893 110.8 49.5 -63.7 -40.4 9.3 -16.8 11.5 115 159 X K H X S+ 0 0 83 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.906 110.5 49.5 -65.9 -41.9 7.9 -17.6 8.0 116 160 X A H < S+ 0 0 77 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.878 113.8 47.6 -64.4 -35.2 4.5 -18.5 9.5 117 161 X K H < S+ 0 0 80 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.884 129.2 16.3 -71.9 -39.8 4.5 -15.3 11.5 118 162 X F H >< S+ 0 0 22 -4,-2.1 3,-2.0 -5,-0.1 63,-0.3 0.690 85.0 114.9-115.3 -26.4 5.5 -12.9 8.7 119 163 X L T 3< S+ 0 0 44 -4,-2.5 63,-0.2 -5,-0.3 3,-0.1 -0.284 95.5 2.5 -59.2 135.0 5.1 -14.4 5.2 120 164 X N T 3 S+ 0 0 107 61,-2.2 2,-0.3 1,-0.2 -1,-0.3 0.702 107.7 121.8 57.8 25.8 2.5 -12.5 3.2 121 165 X K < - 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