==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-OCT-03 1R45 . COMPND 2 MOLECULE: MONO-ADP-RIBOSYLTRANSFERASE C3; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PHAGE C-ST; . AUTHOR A.TEPLYAKOV,G.OBMOLOVA,G.L.GILLILAND,S.NARUMIYA . 802 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37360.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 583 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 17.2 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 . 59 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 25.7 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 3 0 0 0 0 4 0 4 7 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 0 1 3 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 . 12 6 0 6 0 3 4 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 D 0 0 185 0, 0.0 78,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.0 14.2 36.5 94.8 2 45 A T - 0 0 126 1,-0.1 2,-0.6 78,-0.0 78,-0.3 -0.189 360.0-122.5 -59.8 156.1 13.6 34.3 91.7 3 46 A F - 0 0 51 76,-0.1 2,-0.3 148,-0.0 78,-0.3 -0.937 28.9-124.2 -99.0 128.4 14.3 30.6 92.0 4 47 A T B -a 81 0A 39 76,-2.4 78,-2.9 -2,-0.6 2,-0.5 -0.541 26.1-174.6 -74.1 128.3 16.9 29.5 89.5 5 48 A E - 0 0 88 -2,-0.3 2,-0.2 76,-0.2 78,-0.1 -0.976 26.3-130.6-119.9 114.3 15.9 26.7 87.1 6 49 A F - 0 0 22 -2,-0.5 3,-0.1 128,-0.4 75,-0.0 -0.466 13.5-160.2 -70.3 131.4 18.8 25.6 85.0 7 50 A T + 0 0 120 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.602 68.8 16.4 -87.8 -13.5 17.9 25.5 81.3 8 51 A N S > S- 0 0 61 1,-0.1 4,-2.4 583,-0.0 5,-0.2 -0.988 75.0-107.7-159.3 160.1 20.7 23.2 80.1 9 52 A V H > S+ 0 0 20 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.888 113.8 55.2 -59.4 -42.7 23.4 20.8 81.3 10 53 A E H > S+ 0 0 156 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 112.2 41.3 -56.8 -49.2 26.3 23.2 80.6 11 54 A E H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 115.0 53.1 -67.7 -39.4 24.8 26.0 82.8 12 55 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.930 109.7 45.9 -63.3 -46.1 23.8 23.5 85.4 13 56 A K H X S+ 0 0 56 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.887 110.7 55.8 -64.3 -37.8 27.3 21.9 85.7 14 57 A K H X S+ 0 0 144 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.939 113.5 39.4 -58.1 -48.2 28.8 25.4 85.8 15 58 A W H X S+ 0 0 26 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.929 118.3 47.7 -69.4 -44.9 26.6 26.4 88.8 16 59 A G H X S+ 0 0 0 -4,-3.1 4,-2.9 -5,-0.2 142,-0.2 0.929 112.1 48.7 -61.2 -46.1 26.9 23.1 90.5 17 60 A N H X S+ 0 0 68 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.902 106.9 56.7 -61.1 -41.3 30.7 22.9 90.1 18 61 A A H < S+ 0 0 51 -4,-1.9 4,-0.4 -5,-0.3 -1,-0.2 0.894 113.6 39.8 -59.8 -40.0 31.2 26.4 91.4 19 62 A Q H >< S+ 0 0 32 -4,-1.7 3,-1.7 1,-0.2 4,-0.4 0.920 110.9 56.5 -75.1 -43.3 29.4 25.5 94.6 20 63 A Y H >X S+ 0 0 31 -4,-2.9 3,-1.7 1,-0.3 4,-0.5 0.862 97.3 65.2 -54.3 -37.7 30.9 22.1 94.9 21 64 A K T 3< S+ 0 0 160 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.757 100.7 51.8 -57.7 -24.6 34.4 23.7 94.8 22 65 A K T <4 S+ 0 0 157 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.518 89.5 81.6 -90.6 -7.9 33.6 25.4 98.1 23 66 A Y T <4 - 0 0 12 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.1 0.917 65.0-162.0 -68.1 -48.0 32.5 22.4 100.1 24 67 A G < - 0 0 59 -4,-0.5 -3,-0.1 -3,-0.2 -1,-0.1 0.908 19.4-169.1 62.4 40.9 35.8 20.8 101.2 25 68 A L - 0 0 12 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.0 -0.351 22.0-113.6 -59.8 138.9 34.0 17.5 101.9 26 69 A S > - 0 0 39 1,-0.1 4,-2.9 -3,-0.1 5,-0.2 -0.267 25.1-105.9 -68.4 165.8 36.3 15.1 103.8 27 70 A K H > S+ 0 0 135 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.952 123.1 44.7 -58.2 -50.3 37.5 11.9 102.2 28 71 A P H > S+ 0 0 58 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.889 111.4 53.9 -65.3 -34.0 35.1 9.8 104.4 29 72 A E H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.947 111.0 46.7 -60.9 -43.0 32.2 12.3 103.7 30 73 A Q H X S+ 0 0 64 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.900 112.3 48.9 -66.0 -42.2 32.8 11.9 100.0 31 74 A E H X S+ 0 0 108 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.859 110.5 51.1 -67.4 -35.3 33.1 8.1 100.1 32 75 A A H X S+ 0 0 4 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.907 112.8 45.7 -68.7 -42.6 29.9 7.9 102.1 33 76 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.925 111.9 51.5 -64.3 -41.0 28.0 10.1 99.6 34 77 A K H X S+ 0 0 110 -4,-2.8 4,-1.5 1,-0.2 130,-0.4 0.926 109.3 51.1 -61.5 -42.3 29.5 8.1 96.7 35 78 A F H X S+ 0 0 69 -4,-2.3 4,-1.2 1,-0.2 3,-0.5 0.932 108.3 52.0 -58.4 -45.8 28.3 4.9 98.3 36 79 A Y H >< S+ 0 0 2 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.940 108.2 51.5 -56.1 -45.5 24.8 6.4 98.7 37 80 A T H 3< S+ 0 0 10 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.772 99.2 64.3 -66.0 -25.5 24.8 7.3 95.0 38 81 A R H 3< S- 0 0 138 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.885 135.1 -14.6 -63.4 -40.1 25.7 3.8 94.0 39 82 A D X< - 0 0 69 -4,-1.2 3,-1.7 -3,-0.7 -1,-0.3 -0.617 63.4-165.4-165.8 96.7 22.4 2.5 95.4 40 83 A A T >> S+ 0 0 29 -3,-0.3 4,-3.2 1,-0.3 3,-2.0 0.759 83.4 73.7 -62.8 -25.5 20.6 4.9 97.7 41 84 A S H 3> S+ 0 0 58 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.770 84.7 66.6 -60.7 -23.4 18.4 2.1 99.0 42 85 A K H <4 S+ 0 0 117 -3,-1.7 -1,-0.3 -6,-0.2 -2,-0.2 0.698 117.4 24.9 -71.9 -15.0 21.3 0.8 101.0 43 86 A I H <> S+ 0 0 0 -3,-2.0 4,-1.8 -4,-0.3 -2,-0.2 0.748 126.6 44.5-108.3 -50.5 21.1 4.0 103.1 44 87 A N H X S+ 0 0 16 -4,-3.2 4,-2.5 2,-0.2 -3,-0.2 0.835 108.8 59.1 -71.4 -29.5 17.5 5.1 102.7 45 88 A G H X S+ 0 0 22 -4,-1.7 4,-3.0 -5,-0.4 5,-0.2 0.982 108.4 42.8 -61.0 -58.3 16.2 1.6 103.3 46 89 A P H > S+ 0 0 29 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.882 112.4 55.6 -54.7 -34.4 17.8 1.2 106.7 47 90 A L H <>S+ 0 0 0 -4,-1.8 5,-2.7 1,-0.2 6,-0.3 0.935 111.1 43.4 -66.6 -43.4 16.7 4.8 107.6 48 91 A R H ><5S+ 0 0 131 -4,-2.5 3,-1.3 3,-0.2 -1,-0.2 0.902 110.9 55.9 -63.4 -42.8 13.1 3.9 106.8 49 92 A A H 3<5S+ 0 0 72 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.902 115.1 38.5 -54.7 -43.2 13.4 0.6 108.6 50 93 A N T ><5S- 0 0 46 -4,-2.2 3,-2.3 -5,-0.2 -1,-0.3 0.295 109.2-121.4 -95.3 10.7 14.5 2.4 111.7 51 94 A Q T < 5S- 0 0 137 -3,-1.3 -3,-0.2 1,-0.3 -4,-0.1 0.880 74.4 -53.3 50.8 43.8 12.1 5.4 111.3 52 95 A G T 3 S+ 0 0 48 -2,-1.3 3,-1.4 1,-0.3 -1,-0.2 0.817 80.8 69.4 -60.3 -23.2 20.2 6.3 113.4 55 98 A N G 3 S+ 0 0 123 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.715 94.4 53.2 -69.5 -18.5 20.9 4.4 116.6 56 99 A G G < S+ 0 0 40 -3,-2.1 -1,-0.3 -6,-0.2 -2,-0.2 0.511 88.8 107.7 -90.8 -4.8 19.0 1.3 115.4 57 100 A L S < S- 0 0 12 -3,-1.4 -10,-0.0 -4,-0.4 -3,-0.0 -0.336 85.6 -93.7 -70.9 152.5 21.0 1.2 112.2 58 101 A P > - 0 0 66 0, 0.0 4,-2.8 0, 0.0 3,-0.4 -0.387 44.9-109.8 -56.1 149.1 23.7 -1.5 111.5 59 102 A A H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.848 116.4 51.5 -58.5 -38.8 27.0 -0.0 112.6 60 103 A D H > S+ 0 0 95 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.898 113.4 44.2 -66.9 -38.0 28.4 0.3 109.1 61 104 A I H > S+ 0 0 12 -3,-0.4 4,-3.1 2,-0.2 5,-0.2 0.887 110.0 56.0 -73.9 -37.8 25.3 2.2 107.9 62 105 A L H X S+ 0 0 26 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.936 105.7 52.1 -56.3 -44.0 25.3 4.4 111.0 63 106 A Q H X S+ 0 0 101 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.902 113.0 44.2 -60.9 -39.7 28.9 5.4 110.3 64 107 A K H X S+ 0 0 45 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.899 111.7 52.3 -72.2 -40.6 27.9 6.4 106.8 65 108 A V H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.913 108.4 51.2 -62.0 -43.2 24.7 8.2 107.8 66 109 A K H X S+ 0 0 93 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.914 112.0 48.4 -59.9 -40.1 26.6 10.3 110.4 67 110 A L H X S+ 0 0 19 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.919 112.7 45.8 -63.6 -45.1 29.1 11.2 107.7 68 111 A I H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.938 113.7 49.8 -67.4 -43.3 26.4 12.2 105.2 69 112 A D H >< S+ 0 0 41 -4,-3.1 3,-0.9 1,-0.2 4,-0.2 0.925 111.3 49.9 -56.3 -43.4 24.6 14.1 107.9 70 113 A Q H >< S+ 0 0 110 -4,-2.3 3,-2.2 1,-0.2 4,-0.3 0.832 98.1 67.8 -64.9 -33.3 27.8 15.9 108.8 71 114 A S H >X S+ 0 0 0 -4,-2.0 3,-2.1 1,-0.3 4,-0.6 0.795 86.2 69.3 -60.3 -28.7 28.5 16.8 105.2 72 115 A F T << S+ 0 0 3 -3,-0.9 -1,-0.3 -4,-0.8 84,-0.3 0.668 81.5 72.8 -71.2 -11.5 25.6 19.2 105.2 73 116 A S T <4 S+ 0 0 89 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.749 107.8 37.7 -63.9 -19.9 27.4 21.5 107.5 74 117 A K T <4 S+ 0 0 81 -3,-2.1 2,-0.6 -4,-0.3 -2,-0.2 0.542 108.3 69.4-103.9 -14.1 29.5 22.3 104.4 75 118 A M < + 0 0 0 -4,-0.6 81,-2.5 -3,-0.1 2,-0.3 -0.919 54.2 149.5-120.6 106.4 26.7 22.2 101.7 76 119 A K B -I 155 0B 92 -2,-0.6 79,-0.2 79,-0.3 78,-0.1 -0.971 51.8-100.2-131.5 145.7 24.1 25.0 101.7 77 120 A M - 0 0 2 77,-3.0 76,-3.0 -2,-0.3 77,-0.1 -0.519 23.7-157.2 -66.5 129.1 22.3 26.4 98.7 78 121 A P S S+ 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.606 75.3 13.5 -79.9 -10.1 23.9 29.7 97.6 79 122 A Q S S- 0 0 59 72,-0.1 2,-0.1 71,-0.1 74,-0.1 -0.972 96.7 -78.0-156.1 158.2 20.7 30.9 95.9 80 123 A N - 0 0 24 -78,-0.3 -76,-2.4 -2,-0.3 2,-0.3 -0.458 64.2-176.9 -57.7 129.9 17.0 30.0 95.6 81 124 A I E -aB 4 150A 0 69,-2.7 69,-3.0 -78,-0.3 2,-0.5 -0.966 31.4-131.4-140.1 152.7 16.9 27.0 93.3 82 125 A I E - B 0 149A 5 -78,-2.9 -76,-0.4 -2,-0.3 2,-0.3 -0.920 29.4-179.9-103.2 131.9 14.6 24.6 91.6 83 126 A L E - B 0 148A 0 65,-2.4 65,-3.1 -2,-0.5 2,-0.4 -0.890 11.8-144.0-129.7 156.6 15.4 20.9 91.9 84 127 A F E -CB 133 147A 12 49,-2.5 49,-2.2 -2,-0.3 2,-0.3 -0.939 14.4-178.8-128.9 149.8 13.7 17.9 90.4 85 128 A R E - B 0 146A 26 61,-2.1 61,-2.9 -2,-0.4 2,-0.3 -0.977 14.5-148.3-144.4 133.0 12.9 14.3 91.4 86 129 A G E + B 0 145A 9 -2,-0.3 2,-0.3 59,-0.2 59,-0.2 -0.653 24.9 170.4 -94.1 154.0 11.1 11.6 89.6 87 130 A D E - B 0 144A 38 57,-2.8 57,-1.9 -2,-0.3 -2,-0.0 -0.955 27.5-120.8-156.2 170.8 9.0 8.9 91.2 88 131 A D > - 0 0 72 -2,-0.3 3,-2.4 55,-0.2 4,-0.3 -0.649 46.0 -91.1-112.2 169.7 6.6 6.0 90.9 89 132 A P G > S+ 0 0 20 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.732 114.7 77.3 -58.4 -22.8 3.1 5.6 92.4 90 133 A A G > S+ 0 0 56 1,-0.3 3,-1.8 2,-0.2 7,-0.1 0.779 79.5 73.9 -56.2 -22.9 4.5 3.9 95.5 91 134 A Y G < S+ 0 0 11 -3,-2.4 -1,-0.3 1,-0.3 6,-0.0 0.825 91.5 56.7 -56.5 -32.1 5.4 7.4 96.6 92 135 A L G < S- 0 0 2 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.469 116.1-109.3 -82.8 -5.1 1.7 7.9 97.3 93 136 A G X> - 0 0 19 -3,-1.8 4,-2.5 -4,-0.2 3,-1.8 -0.038 37.5 -65.7 96.5 160.9 1.4 5.0 99.7 94 137 A P H 3> S+ 0 0 108 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.825 126.6 59.0 -55.4 -33.2 -0.2 1.5 99.6 95 138 A E H 34 S+ 0 0 107 1,-0.2 -2,-0.1 -3,-0.2 -3,-0.0 0.656 121.0 25.0 -75.4 -11.8 -3.8 2.8 99.4 96 139 A F H X> S+ 0 0 19 -3,-1.8 4,-2.3 -7,-0.1 3,-1.5 0.590 97.2 86.5-118.8 -21.9 -3.0 4.7 96.2 97 140 A Q H 3< S+ 0 0 67 -4,-2.5 4,-0.2 1,-0.3 -7,-0.1 0.835 101.9 33.3 -58.4 -33.3 -0.1 3.0 94.5 98 141 A D T 3< S+ 0 0 135 -4,-0.6 -1,-0.3 1,-0.1 -2,-0.1 0.362 124.4 44.0 -99.5 5.2 -2.3 0.5 92.7 99 142 A K T <4 S+ 0 0 121 -3,-1.5 12,-0.2 -10,-0.1 -2,-0.2 0.541 91.1 76.7-118.3 -20.4 -5.3 2.8 92.1 100 143 A I S < S+ 0 0 1 -4,-2.3 8,-3.2 11,-0.1 2,-0.5 0.796 90.0 62.9 -71.8 -24.5 -3.9 6.1 91.0 101 144 A L B S-J 107 0C 64 -5,-0.2 6,-0.2 6,-0.2 2,-0.1 -0.875 79.7-137.3-101.8 129.8 -3.2 4.8 87.5 102 145 A N > - 0 0 54 4,-3.4 3,-2.1 -2,-0.5 -2,-0.0 -0.330 32.9-105.1 -68.2 161.6 -6.0 3.7 85.2 103 146 A K T 3 S+ 0 0 167 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.847 123.4 59.9 -57.3 -31.1 -5.4 0.6 83.2 104 147 A D T 3 S- 0 0 54 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.286 121.1-108.5 -85.0 10.2 -4.9 2.9 80.2 105 148 A G S < S+ 0 0 14 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.363 80.2 122.1 82.4 -4.1 -2.0 4.5 81.9 106 149 A T S S- 0 0 17 1,-0.1 -4,-3.4 -5,-0.1 2,-0.3 -0.510 74.2 -92.2 -85.1 161.0 -3.7 7.9 82.6 107 150 A I B -J 101 0C 4 83,-2.6 2,-0.7 -6,-0.2 -6,-0.2 -0.584 39.0-117.5 -71.2 129.4 -4.1 9.3 86.1 108 151 A N > - 0 0 35 -8,-3.2 4,-2.4 -2,-0.3 5,-0.1 -0.603 25.9-155.5 -68.5 111.7 -7.4 8.2 87.7 109 152 A K H > S+ 0 0 147 -2,-0.7 4,-1.1 2,-0.2 -1,-0.2 0.852 88.2 48.5 -64.1 -38.5 -8.9 11.7 88.2 110 153 A T H >> S+ 0 0 93 2,-0.2 4,-1.1 1,-0.2 3,-0.6 0.951 113.1 46.6 -70.7 -45.6 -11.2 10.7 91.0 111 154 A V H 3> S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 3,-0.5 0.881 104.8 63.2 -59.2 -35.4 -8.5 8.9 92.9 112 155 A F H 3X S+ 0 0 6 -4,-2.4 4,-2.6 1,-0.3 -1,-0.2 0.845 96.0 59.1 -58.9 -33.4 -6.3 12.0 92.3 113 156 A E H < S+ 0 0 22 -4,-2.2 3,-1.1 -5,-0.2 62,-0.3 0.706 89.9 105.2-117.6 -26.1 -1.0 15.3 100.5 120 163 A L T 3< S+ 0 0 38 -4,-2.4 62,-0.2 -5,-0.3 3,-0.1 -0.411 95.5 2.7 -75.9 135.4 -1.8 18.8 99.1 121 164 A K T 3 S+ 0 0 140 60,-2.4 2,-0.3 1,-0.3 -1,-0.3 0.859 110.2 108.0 60.0 38.4 -1.0 21.8 101.3 122 165 A K S < S- 0 0 105 -3,-1.1 59,-2.6 59,-0.4 -1,-0.3 -0.947 71.1-112.1-137.6 156.7 0.5 19.5 103.9 123 166 A D E -D 180 0A 111 -2,-0.3 2,-0.4 57,-0.2 57,-0.2 -0.617 28.9-166.6 -86.2 150.4 4.0 18.9 105.1 124 167 A R E -D 179 0A 65 55,-2.5 55,-2.5 -2,-0.3 2,-0.4 -0.996 4.9-162.0-137.9 141.0 5.7 15.5 104.5 125 168 A T - 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0 0 14 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.1 0.913 65.4-161.2 -67.6 -46.5 7.0 -3.9 6.2 226 67 B G < - 0 0 59 -4,-0.5 -3,-0.1 1,-0.2 -1,-0.1 0.909 19.0-169.0 61.3 43.8 9.0 -7.0 5.1 227 68 B L - 0 0 14 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.0 -0.364 22.0-114.1 -62.1 139.6 12.0 -4.9 4.4 228 69 B S > - 0 0 37 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.265 25.2-106.4 -69.9 165.6 14.7 -6.8 2.5 229 70 B K H > S+ 0 0 134 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.951 122.5 46.0 -60.2 -47.2 18.0 -7.6 4.1 230 71 B P H > S+ 0 0 60 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.892 111.5 53.1 -63.0 -37.3 19.8 -5.0 2.0 231 72 B E H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.943 110.8 46.8 -60.2 -45.3 17.1 -2.4 2.7 232 73 B Q H X S+ 0 0 60 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.906 112.3 49.4 -62.9 -44.4 17.5 -3.0 6.4 233 74 B E H X S+ 0 0 102 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.873 110.4 50.6 -65.0 -35.7 21.3 -2.8 6.2 234 75 B A H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.912 112.7 46.2 -68.5 -42.9 21.2 0.4 4.2 235 76 B I H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.916 111.8 51.1 -63.5 -40.1 18.8 2.0 6.7 236 77 B K H X S+ 0 0 97 -4,-2.6 4,-1.6 2,-0.2 130,-0.4 0.937 109.2 51.3 -63.3 -42.2 20.9 0.8 9.6 237 78 B F H X S+ 0 0 69 -4,-2.4 4,-1.2 1,-0.2 3,-0.5 0.933 108.7 51.7 -57.7 -46.9 24.0 2.3 8.0 238 79 B Y H >< S+ 0 0 3 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.934 108.6 51.1 -55.7 -47.6 22.1 5.6 7.6 239 80 B T H 3< S+ 0 0 11 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.774 99.8 64.2 -63.5 -26.5 21.1 5.6 11.3 240 81 B R H 3< S- 0 0 154 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.888 135.2 -14.7 -63.8 -38.6 24.8 5.0 12.4 241 82 B D X< - 0 0 69 -4,-1.2 3,-1.8 -3,-0.7 -1,-0.3 -0.609 63.6-165.4-166.8 96.8 25.7 8.4 10.9 242 83 B A T >> S+ 0 0 27 -3,-0.3 4,-3.2 1,-0.3 3,-1.9 0.756 82.9 74.0 -63.7 -24.6 23.1 10.0 8.7 243 84 B S H 3> S+ 0 0 55 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.760 85.0 66.5 -59.3 -24.2 25.6 12.5 7.4 244 85 B K H <4 S+ 0 0 115 -3,-1.8 -1,-0.3 -6,-0.2 -2,-0.2 0.677 117.2 24.9 -72.5 -16.6 27.3 9.7 5.3 245 86 B I H <> S+ 0 0 0 -3,-1.9 4,-1.8 -4,-0.2 -2,-0.2 0.744 126.9 44.2-106.4 -49.7 24.1 9.5 3.2 246 87 B N H X S+ 0 0 16 -4,-3.2 4,-2.5 2,-0.2 -3,-0.2 0.829 109.0 59.3 -73.1 -28.6 22.5 13.0 3.6 247 88 B G H X S+ 0 0 23 -4,-1.6 4,-3.1 -5,-0.4 5,-0.2 0.982 108.5 42.6 -60.9 -58.6 25.9 14.7 3.1 248 89 B P H > S+ 0 0 30 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.884 112.3 55.4 -54.9 -35.5 26.4 13.2 -0.4 249 90 B L H <>S+ 0 0 0 -4,-1.8 5,-2.9 2,-0.2 6,-0.3 0.928 111.1 43.7 -66.3 -42.7 22.8 13.8 -1.3 250 91 B R H ><5S+ 0 0 135 -4,-2.5 3,-1.4 3,-0.2 -1,-0.2 0.913 110.9 55.7 -63.1 -43.6 23.2 17.5 -0.5 251 92 B A H 3<5S+ 0 0 74 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.879 114.9 38.6 -53.6 -41.9 26.5 17.6 -2.3 252 93 B N T ><5S- 0 0 46 -4,-2.0 3,-2.2 -5,-0.2 -1,-0.3 0.300 109.3-121.4 -97.8 11.0 24.8 16.3 -5.4 253 94 B Q T < 5S- 0 0 135 -3,-1.4 -3,-0.2 1,-0.3 -4,-0.1 0.896 73.8 -53.6 49.8 45.9 21.7 18.3 -5.0 254 95 B G T 3 S+ 0 0 50 -2,-1.3 3,-1.4 1,-0.3 -1,-0.2 0.817 81.5 68.6 -59.6 -24.7 21.6 10.1 -7.1 257 98 B N G 3 S+ 0 0 116 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.678 94.1 54.2 -71.1 -14.7 23.6 9.7 -10.3 258 99 B G G < S+ 0 0 37 -3,-2.3 -1,-0.3 -6,-0.1 -2,-0.2 0.503 88.4 107.0 -91.7 -4.4 26.4 11.9 -9.0 259 100 B L S < S- 0 0 13 -3,-1.4 -10,-0.0 -4,-0.4 -3,-0.0 -0.345 85.8 -93.5 -70.5 152.0 26.8 9.9 -5.8 260 101 B P > - 0 0 66 0, 0.0 4,-2.9 0, 0.0 3,-0.4 -0.378 45.3-109.8 -56.0 150.2 29.7 7.6 -5.2 261 102 B A H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.846 116.4 51.6 -60.4 -36.9 28.7 4.2 -6.3 262 103 B D H > S+ 0 0 94 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.897 112.9 44.8 -68.7 -35.9 28.5 2.7 -2.8 263 104 B I H > S+ 0 0 12 -3,-0.4 4,-3.2 2,-0.2 5,-0.2 0.906 109.9 55.9 -75.0 -37.7 26.3 5.6 -1.6 264 105 B L H X S+ 0 0 33 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.922 105.6 52.3 -53.9 -45.9 24.1 5.3 -4.7 265 106 B Q H X S+ 0 0 102 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.901 113.0 44.0 -61.7 -38.6 23.5 1.7 -4.0 266 107 B K H X S+ 0 0 46 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.913 111.8 52.1 -70.7 -42.5 22.4 2.5 -0.4 267 108 B V H X S+ 0 0 0 -4,-3.2 4,-3.1 1,-0.2 5,-0.2 0.917 108.3 52.0 -60.7 -43.2 20.3 5.5 -1.5 268 109 B K H X S+ 0 0 93 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.915 111.8 47.4 -58.4 -42.0 18.5 3.3 -4.1 269 110 B L H X S+ 0 0 20 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.922 112.7 46.6 -64.1 -46.1 17.7 0.8 -1.3 270 111 B I H X S+ 0 0 0 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.943 113.8 49.7 -64.9 -44.0 16.5 3.4 1.2 271 112 B D H >< S+ 0 0 43 -4,-3.1 3,-0.9 1,-0.2 4,-0.2 0.913 111.3 49.0 -55.2 -46.4 14.3 4.9 -1.5 272 113 B Q H >< S+ 0 0 110 -4,-2.3 3,-2.1 1,-0.2 4,-0.3 0.833 98.3 68.8 -66.5 -29.9 12.9 1.6 -2.5 273 114 B S H >X S+ 0 0 0 -4,-2.0 3,-2.1 1,-0.3 4,-0.6 0.818 86.3 69.1 -59.5 -28.9 12.1 0.7 1.2 274 115 B F T << S+ 0 0 3 -3,-0.9 -1,-0.3 -4,-0.8 84,-0.3 0.669 81.3 72.6 -70.9 -11.8 9.4 3.4 1.2 275 116 B S T <4 S+ 0 0 84 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.746 108.0 37.4 -65.7 -19.1 7.3 1.3 -1.2 276 117 B K T <4 S+ 0 0 72 -3,-2.1 2,-0.6 -4,-0.3 -2,-0.2 0.524 108.3 70.3-103.2 -14.0 6.8 -0.8 1.9 277 118 B M < + 0 0 0 -4,-0.6 81,-2.5 -3,-0.2 2,-0.3 -0.914 54.9 149.5-120.7 103.9 6.6 1.9 4.6 278 119 B K B -S 357 0E 92 -2,-0.6 79,-0.2 79,-0.3 78,-0.1 -0.968 51.5-100.5-128.9 148.8 3.5 4.1 4.7 279 120 B M - 0 0 3 77,-3.0 76,-3.1 -2,-0.3 77,-0.1 -0.516 23.9-158.6 -68.2 128.4 1.9 5.8 7.6 280 121 B P S S+ 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.611 75.1 13.3 -80.7 -10.4 -1.2 3.9 8.7 281 122 B Q S S- 0 0 57 72,-0.1 2,-0.2 75,-0.1 74,-0.1 -0.978 96.6 -78.1-155.7 158.5 -2.7 6.9 10.4 282 123 B N - 0 0 31 -2,-0.3 -76,-2.6 -78,-0.3 2,-0.3 -0.478 63.7-176.6 -59.3 132.1 -2.3 10.7 10.7 283 124 B I E -kL 206 352D 0 69,-2.8 69,-3.0 -78,-0.3 2,-0.5 -0.954 31.3-131.4-142.2 150.3 0.6 11.1 13.0 284 125 B I E + L 0 351D 6 -78,-2.9 -76,-0.4 -2,-0.3 2,-0.3 -0.912 30.0 179.2 -99.9 131.0 2.8 13.7 14.8 285 126 B L E - L 0 350D 0 65,-2.5 65,-3.1 -2,-0.5 2,-0.4 -0.899 12.1-144.0-129.8 157.3 6.5 13.3 14.5 286 127 B F E -ML 335 349D 13 49,-2.6 49,-2.2 -2,-0.3 2,-0.3 -0.935 14.1-177.8-129.6 149.1 9.4 15.4 15.9 287 128 B R E - L 0 348D 26 61,-2.1 61,-2.8 -2,-0.4 2,-0.3 -0.983 14.2-148.5-141.7 135.2 12.8 16.6 14.9 288 129 B G E + L 0 347D 8 -2,-0.3 2,-0.3 59,-0.2 59,-0.2 -0.657 25.4 169.1 -95.8 153.1 15.4 18.7 16.8 289 130 B D E - 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