==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-JUL-09 2WN5 . COMPND 2 MOLECULE: ADP-RIBOSYLTRANSFERASE ENZYMATIC COMPONENT; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR A.SUNDRIYAL,A.K.ROBERTS,C.C.SHONE,K.R.ACHARYA . 394 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19482.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 18.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 30 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 1 0 0 1 0 4 2 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 3 1 1 2 0 1 1 0 1 0 2 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 1 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 24 A K >> 0 0 117 0, 0.0 3,-2.1 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 -24.4 24.5 3.1 46.7 2 25 A E H 3> + 0 0 79 1,-0.3 4,-1.4 2,-0.2 3,-0.2 0.665 360.0 69.5 -57.4 -20.8 22.5 1.7 49.7 3 26 A W H 3> S+ 0 0 176 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.771 90.3 62.6 -67.4 -27.8 20.3 4.9 49.8 4 27 A E H <> S+ 0 0 41 -3,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.872 104.1 45.7 -66.3 -40.7 18.7 3.7 46.5 5 28 A R H X S+ 0 0 83 -4,-0.6 4,-1.6 -3,-0.2 -1,-0.2 0.864 112.9 50.9 -69.3 -38.1 17.3 0.6 48.1 6 29 A K H X S+ 0 0 139 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.873 107.9 52.8 -66.0 -39.8 16.1 2.6 51.1 7 30 A E H X S+ 0 0 72 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.884 106.3 53.2 -63.4 -39.7 14.4 5.1 48.7 8 31 A A H X S+ 0 0 1 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.880 108.1 51.0 -60.6 -39.9 12.6 2.2 47.0 9 32 A E H X S+ 0 0 78 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.880 108.4 52.2 -62.8 -40.5 11.4 1.1 50.5 10 33 A R H < S+ 0 0 137 -4,-2.0 3,-0.4 1,-0.2 4,-0.2 0.894 109.0 48.7 -63.1 -42.8 10.1 4.6 51.1 11 34 A I H >< S+ 0 0 2 -4,-2.2 3,-1.7 1,-0.2 4,-0.4 0.854 102.9 63.6 -65.0 -37.1 8.1 4.7 47.8 12 35 A E H >< S+ 0 0 25 -4,-1.8 3,-1.1 1,-0.3 -1,-0.2 0.829 97.6 56.3 -54.1 -36.8 6.6 1.2 48.8 13 36 A Q T 3< S+ 0 0 137 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.524 92.5 69.6 -77.5 -8.6 4.9 2.9 51.8 14 37 A K T < S+ 0 0 88 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.655 86.9 93.8 -74.9 -17.3 3.2 5.4 49.5 15 38 A L S < S- 0 0 9 -3,-1.1 48,-0.0 -4,-0.4 2,-0.0 -0.447 81.4-112.5 -83.5 147.9 1.1 2.5 48.2 16 39 A E > - 0 0 111 -2,-0.1 4,-2.6 43,-0.1 3,-0.3 -0.325 35.2-108.6 -63.9 156.7 -2.3 1.3 49.3 17 40 A R H > S+ 0 0 190 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.910 122.3 50.8 -56.5 -42.5 -2.4 -2.1 51.0 18 41 A S H > S+ 0 0 44 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.788 110.3 50.5 -66.3 -29.9 -4.2 -3.6 47.9 19 42 A E H > S+ 0 0 5 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.885 108.5 50.4 -73.0 -44.2 -1.5 -2.1 45.7 20 43 A K H X S+ 0 0 36 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.893 109.3 53.8 -54.7 -43.7 1.3 -3.6 47.9 21 44 A E H X S+ 0 0 122 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.906 109.4 46.2 -59.5 -45.7 -0.5 -7.0 47.6 22 45 A A H X S+ 0 0 2 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.881 112.0 52.0 -62.7 -40.7 -0.5 -6.7 43.8 23 46 A L H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.880 106.5 53.6 -64.6 -40.2 3.2 -5.7 43.9 24 47 A E H X S+ 0 0 99 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.910 110.3 47.2 -61.2 -41.6 4.0 -8.7 46.1 25 48 A S H >X S+ 0 0 40 -4,-1.8 4,-1.2 1,-0.2 3,-0.7 0.865 107.6 56.5 -67.1 -38.3 2.4 -11.0 43.5 26 49 A Y H >X S+ 0 0 2 -4,-2.0 4,-0.8 1,-0.2 3,-0.7 0.925 100.2 58.5 -58.5 -47.5 4.3 -9.2 40.6 27 50 A K H 3< S+ 0 0 41 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.788 113.5 40.3 -49.7 -30.4 7.6 -10.0 42.3 28 51 A K H << S+ 0 0 170 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.637 131.3 20.4 -95.1 -21.1 6.6 -13.8 42.1 29 52 A D H S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.952 113.1 35.6 -57.7 -55.2 6.5 -12.8 33.3 32 55 A E H > S+ 0 0 87 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.861 116.9 53.1 -70.9 -38.7 2.8 -13.8 33.1 33 56 A I H X S+ 0 0 16 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.927 111.5 46.1 -61.8 -45.5 1.5 -10.7 34.7 34 57 A S H X S+ 0 0 19 -4,-2.5 4,-1.0 -5,-0.2 86,-0.3 0.924 111.1 53.0 -64.1 -42.4 3.4 -8.5 32.2 35 58 A K H >X S+ 0 0 108 -4,-2.1 4,-1.0 -5,-0.3 3,-0.9 0.930 108.9 49.7 -56.8 -47.9 2.2 -10.7 29.3 36 59 A Y H 3X S+ 0 0 24 -4,-2.5 4,-1.5 1,-0.2 3,-0.5 0.889 104.3 59.1 -56.7 -44.1 -1.5 -10.3 30.5 37 60 A S H 3< S+ 0 0 1 -4,-2.0 82,-0.3 1,-0.2 -1,-0.2 0.717 102.7 54.5 -60.9 -23.6 -1.1 -6.5 30.7 38 61 A Q H << S+ 0 0 60 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.842 123.5 19.9 -79.5 -36.6 -0.2 -6.3 27.0 39 62 A T H >< S+ 0 0 32 -4,-1.0 3,-1.5 -3,-0.5 -2,-0.2 0.310 88.6 106.4-120.2 8.1 -3.2 -8.1 25.5 40 63 A R G >< S+ 0 0 3 -4,-1.5 3,-1.0 1,-0.2 -3,-0.1 0.816 76.5 59.0 -57.2 -34.3 -5.9 -7.9 28.3 41 64 A N G 3 S+ 0 0 1 1,-0.2 -1,-0.2 -4,-0.2 286,-0.1 0.455 87.8 74.0 -82.3 -1.4 -7.9 -5.3 26.4 42 65 A Y G < S+ 0 0 2 -3,-1.5 -1,-0.2 286,-0.1 -2,-0.1 0.464 84.4 80.8 -90.3 -3.1 -8.6 -7.4 23.3 43 66 A F S < S- 0 0 36 -3,-1.0 286,-0.9 -4,-0.2 2,-0.1 -0.303 93.9 -75.5 -94.9 177.7 -11.1 -9.7 24.9 44 67 A Y > - 0 0 26 284,-0.2 4,-2.4 1,-0.1 3,-0.5 -0.415 43.6-113.4 -65.8 152.7 -14.8 -9.3 25.7 45 68 A D H > S+ 0 0 116 284,-0.4 4,-2.4 1,-0.2 5,-0.2 0.905 119.9 49.6 -53.8 -43.8 -15.8 -7.0 28.6 46 69 A Y H > S+ 0 0 136 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.769 109.4 52.3 -67.9 -27.3 -17.1 -10.1 30.5 47 70 A Q H > S+ 0 0 65 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.892 109.3 49.4 -72.5 -41.7 -13.9 -12.0 29.8 48 71 A I H < S+ 0 0 8 -4,-2.4 3,-0.5 1,-0.2 6,-0.2 0.955 112.7 46.8 -59.5 -52.7 -11.8 -9.1 31.1 49 72 A E H < S+ 0 0 115 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.873 113.6 49.8 -56.1 -40.3 -13.9 -8.9 34.3 50 73 A A H < S+ 0 0 83 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.754 83.0 110.8 -73.5 -28.1 -13.7 -12.7 34.8 51 74 A N >< - 0 0 63 -4,-1.5 3,-1.5 -3,-0.5 4,-0.5 -0.232 68.1-136.3 -60.0 133.4 -9.9 -13.1 34.4 52 75 A S T 3 S+ 0 0 116 1,-0.3 4,-0.3 2,-0.1 -1,-0.1 0.705 104.2 50.1 -62.5 -20.7 -8.0 -14.0 37.6 53 76 A R T 3> S+ 0 0 72 1,-0.1 4,-2.1 2,-0.1 -1,-0.3 0.526 87.3 87.0 -93.2 -8.2 -5.3 -11.5 36.8 54 77 A E H <> S+ 0 0 3 -3,-1.5 4,-2.3 -6,-0.2 5,-0.2 0.915 85.7 48.9 -64.7 -48.9 -7.6 -8.5 36.2 55 78 A K H > S+ 0 0 151 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.912 114.4 46.8 -57.4 -43.2 -8.0 -7.2 39.7 56 79 A E H > S+ 0 0 51 -4,-0.3 4,-2.5 2,-0.2 5,-0.2 0.859 108.6 56.2 -67.6 -36.7 -4.2 -7.3 40.3 57 80 A Y H X S+ 0 0 7 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.948 108.4 47.5 -55.4 -50.4 -3.7 -5.6 36.9 58 81 A K H X S+ 0 0 73 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.899 113.5 47.0 -61.5 -43.6 -5.9 -2.7 38.0 59 82 A E H X S+ 0 0 53 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.883 113.7 47.4 -65.5 -40.6 -4.1 -2.3 41.4 60 83 A L H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.889 109.8 53.2 -69.7 -39.6 -0.6 -2.5 39.9 61 84 A R H X S+ 0 0 76 -4,-2.7 4,-1.3 -5,-0.2 -2,-0.2 0.933 112.9 44.9 -55.0 -48.4 -1.7 0.1 37.3 62 85 A N H < S+ 0 0 72 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.878 108.3 57.8 -63.1 -43.1 -2.8 2.4 40.1 63 86 A A H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 4,-0.2 0.915 104.6 50.4 -52.9 -49.7 0.3 1.7 42.1 64 87 A I H >< S+ 0 0 5 -4,-2.1 3,-1.4 1,-0.3 86,-0.5 0.853 103.9 59.5 -60.5 -36.5 2.6 2.9 39.3 65 88 A S T 3< S+ 0 0 60 -4,-1.3 -1,-0.3 1,-0.3 3,-0.2 0.531 88.0 76.8 -70.6 -6.4 0.5 6.2 39.1 66 89 A K T < S+ 0 0 76 -3,-1.6 2,-0.4 -4,-0.4 -1,-0.3 0.633 96.3 47.2 -76.2 -15.1 1.4 6.9 42.7 67 90 A N S < S+ 0 0 31 -3,-1.4 83,-3.0 -4,-0.2 2,-0.4 -0.762 73.2 178.9-133.5 85.0 4.9 8.1 41.8 68 91 A K B -A 149 0A 108 -2,-0.4 81,-0.2 -3,-0.2 2,-0.1 -0.754 29.7-118.6 -96.4 131.4 5.0 10.5 38.8 69 92 A I - 0 0 16 79,-2.6 78,-3.2 -2,-0.4 79,-0.2 -0.407 12.2-149.3 -69.4 139.0 8.2 11.9 37.5 70 93 A D S S+ 0 0 138 76,-0.2 -1,-0.1 77,-0.1 76,-0.1 0.698 79.7 19.1 -84.7 -23.6 8.5 15.7 37.7 71 94 A K S S- 0 0 131 74,-0.1 76,-0.2 77,-0.1 77,-0.1 -0.905 104.0 -69.3-137.5 166.2 10.8 16.1 34.6 72 95 A P - 0 0 61 0, 0.0 2,-0.4 0, 0.0 74,-0.1 -0.270 52.5-161.0 -58.3 145.8 11.6 13.9 31.6 73 96 A M E -B 144 0B 41 71,-2.1 71,-3.3 -4,-0.1 2,-0.4 -0.997 13.5-135.3-137.4 134.8 13.6 10.8 32.5 74 97 A Y E -B 143 0B 113 -2,-0.4 2,-0.3 69,-0.2 69,-0.2 -0.732 26.4-172.7 -90.0 133.8 15.8 8.5 30.5 75 98 A V E -B 142 0B 0 67,-2.7 67,-2.1 -2,-0.4 2,-0.4 -0.922 13.5-142.9-128.4 152.7 15.4 4.7 31.1 76 99 A Y E +BC 141 124B 39 48,-3.3 48,-2.4 -2,-0.3 2,-0.3 -0.935 28.5 148.0-116.0 137.2 17.2 1.6 29.9 77 100 A Y E -B 140 0B 11 63,-1.7 63,-3.3 -2,-0.4 2,-0.3 -0.957 40.2-115.5-160.2 151.5 15.8 -1.8 29.1 78 101 A F E -B 139 0B 30 -2,-0.3 2,-0.3 61,-0.2 61,-0.2 -0.638 33.3-178.9 -87.9 148.4 16.5 -4.7 26.7 79 102 A E - 0 0 27 59,-2.2 59,-0.4 -2,-0.3 -2,-0.0 -0.991 31.5-107.4-147.5 144.1 14.0 -5.6 24.0 80 103 A S > - 0 0 50 -2,-0.3 3,-1.9 1,-0.1 4,-0.3 -0.580 26.7-129.3 -71.7 135.5 13.7 -8.2 21.2 81 104 A P G > >S+ 0 0 8 0, 0.0 5,-1.9 0, 0.0 3,-1.7 0.767 106.4 73.1 -54.6 -25.2 14.3 -6.8 17.7 82 105 A E G > 5S+ 0 0 90 1,-0.3 3,-2.0 3,-0.2 5,-0.1 0.816 82.4 69.0 -56.6 -33.3 11.0 -8.6 16.8 83 106 A K G < 5S+ 0 0 32 -3,-1.9 -1,-0.3 1,-0.3 4,-0.1 0.765 104.0 43.0 -58.2 -25.8 9.2 -5.9 18.8 84 107 A F G < 5S- 0 0 0 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 -0.036 127.6 -95.6-113.1 29.6 10.3 -3.5 16.0 85 108 A A T < 5S+ 0 0 14 -3,-2.0 2,-0.9 1,-0.2 -3,-0.2 0.716 83.3 133.6 65.9 25.6 9.5 -5.7 13.1 86 109 A F < - 0 0 3 -5,-1.9 2,-1.0 -6,-0.1 -1,-0.2 -0.859 35.8-172.1-101.9 93.0 13.0 -7.0 12.7 87 110 A N + 0 0 76 -2,-0.9 2,-0.3 -5,-0.1 -1,-0.1 -0.262 56.6 55.1 -91.5 47.8 12.2 -10.8 12.4 88 111 A K S S- 0 0 106 -2,-1.0 2,-0.2 3,-0.0 3,-0.1 -0.936 95.2 -73.7-160.4 171.2 15.7 -12.2 12.6 89 112 A V - 0 0 88 -2,-0.3 3,-0.2 1,-0.2 -2,-0.1 -0.487 18.2-153.2 -76.8 142.6 18.6 -12.1 14.9 90 113 A I S S- 0 0 5 1,-0.5 9,-0.4 -2,-0.2 2,-0.3 0.863 88.5 -27.1 -72.8 -42.7 20.8 -9.0 15.2 91 114 A R S S- 0 0 5 7,-0.1 -1,-0.5 -3,-0.1 2,-0.1 -0.939 78.9 -92.0-156.7 163.6 23.5 -11.5 16.2 92 115 A T > - 0 0 53 -2,-0.3 3,-1.4 -3,-0.2 0, 0.0 -0.471 38.0-116.1 -74.2 156.8 23.4 -14.9 17.9 93 116 A E T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.1 43,-0.0 0.599 115.7 55.3 -74.4 -11.7 23.7 -14.8 21.7 94 117 A N T 3 S+ 0 0 146 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.449 94.5 88.1 -94.1 -3.1 27.0 -16.7 21.5 95 118 A Q < - 0 0 92 -3,-1.4 88,-0.1 1,-0.1 -4,-0.0 -0.645 58.8-159.7 -92.2 151.5 28.5 -14.1 19.2 96 119 A N + 0 0 77 -2,-0.2 87,-2.9 86,-0.1 2,-0.2 0.822 68.4 67.2 -90.6 -41.1 30.4 -11.0 20.3 97 120 A E - 0 0 121 85,-0.2 2,-0.4 87,-0.0 -2,-0.1 -0.458 56.9-157.0 -93.0 152.2 30.1 -8.9 17.1 98 121 A I - 0 0 2 -2,-0.2 -7,-0.1 86,-0.1 86,-0.1 -0.999 30.3-124.3-118.3 128.7 27.3 -7.2 15.2 99 122 A S > - 0 0 63 -2,-0.4 4,-1.8 -9,-0.4 3,-0.1 -0.330 12.2-124.3 -71.5 151.2 28.1 -6.6 11.5 100 123 A L H > S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.848 113.2 57.5 -61.7 -35.9 27.8 -3.1 10.0 101 124 A E H > S+ 0 0 165 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.883 104.9 51.2 -60.0 -39.9 25.4 -4.5 7.4 102 125 A K H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.899 107.4 53.1 -65.8 -42.4 23.1 -5.6 10.2 103 126 A F H X S+ 0 0 16 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.930 111.1 45.9 -53.6 -50.9 23.2 -2.2 11.8 104 127 A N H X S+ 0 0 78 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.831 111.2 53.3 -63.9 -35.5 22.1 -0.5 8.5 105 128 A E H X S+ 0 0 67 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.890 110.4 46.2 -65.1 -43.2 19.4 -3.2 8.1 106 129 A F H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.912 112.0 52.4 -65.3 -44.2 18.0 -2.5 11.5 107 130 A K H X S+ 0 0 81 -4,-2.4 4,-1.7 1,-0.2 3,-0.3 0.940 109.2 48.8 -54.7 -51.4 18.2 1.3 10.8 108 131 A E H < S+ 0 0 148 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.861 109.9 53.9 -58.6 -37.8 16.2 0.9 7.6 109 132 A T H < S+ 0 0 30 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.849 116.2 35.0 -64.5 -38.9 13.6 -1.2 9.4 110 133 A I H >< S+ 0 0 7 -4,-1.7 3,-1.3 -3,-0.3 61,-0.4 0.599 85.5 125.5 -98.1 -13.3 12.8 1.3 12.1 111 134 A Q T 3< S- 0 0 91 -4,-1.7 3,-0.1 1,-0.2 61,-0.1 -0.192 84.0 -7.4 -52.8 130.2 13.2 4.6 10.2 112 135 A N T 3 S+ 0 0 155 59,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.761 103.9 123.4 56.9 33.0 10.2 7.0 10.2 113 136 A K < - 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