==== 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 2WN8 . 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 . 389 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18894.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 72.2 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 . 73 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 32 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 27.0 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 2 0 1 0 0 1 1 4 3 0 0 0 1 0 0 0 0 0 0 0 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 2 1 0 0 2 0 1 1 1 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 25 A E > 0 0 118 0, 0.0 4,-1.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -18.3 -6.2 1.1 49.7 2 26 A W H > + 0 0 196 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.736 360.0 59.1 -69.4 -23.9 -8.4 4.2 49.4 3 27 A E H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.882 102.8 51.4 -72.5 -39.8 -10.4 2.8 46.5 4 28 A R H > S+ 0 0 145 -3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.888 113.9 43.6 -64.8 -42.0 -11.6 -0.2 48.4 5 29 A K H X S+ 0 0 151 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.877 111.8 54.6 -67.3 -41.1 -12.9 1.9 51.3 6 30 A E H X S+ 0 0 69 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.873 107.0 50.6 -61.7 -38.8 -14.4 4.4 48.8 7 31 A A H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.909 108.3 52.8 -62.9 -43.9 -16.3 1.6 47.2 8 32 A E H X S+ 0 0 121 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.878 110.1 48.7 -56.0 -42.3 -17.6 0.5 50.6 9 33 A R H X S+ 0 0 129 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.886 107.7 54.4 -65.2 -42.0 -18.7 4.1 51.1 10 34 A I H >< S+ 0 0 1 -4,-2.2 3,-1.2 1,-0.2 4,-0.5 0.882 103.5 55.3 -61.9 -39.0 -20.5 4.2 47.7 11 35 A E H >< S+ 0 0 27 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.860 100.8 59.6 -63.2 -34.5 -22.5 1.0 48.6 12 36 A Q H 3< S+ 0 0 130 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.658 93.9 66.2 -67.9 -16.2 -23.8 2.8 51.7 13 37 A K T << S+ 0 0 88 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.764 90.8 89.2 -67.3 -26.1 -25.2 5.5 49.4 14 38 A L S < S- 0 0 10 -3,-1.4 2,-0.1 -4,-0.5 48,-0.0 -0.382 83.8-111.7 -83.1 148.8 -27.6 2.8 48.1 15 39 A E > - 0 0 112 -2,-0.1 4,-2.6 1,-0.1 3,-0.4 -0.345 39.8-106.9 -62.5 157.2 -31.1 1.8 49.3 16 40 A R H > S+ 0 0 214 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.840 121.0 53.6 -64.4 -34.7 -31.1 -1.7 50.8 17 41 A S H > S+ 0 0 38 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.841 111.9 46.8 -64.4 -34.7 -32.9 -3.2 47.8 18 42 A E H > S+ 0 0 2 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.875 110.1 51.4 -75.3 -40.0 -30.1 -1.7 45.6 19 43 A K H X S+ 0 0 43 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.902 108.6 54.2 -57.5 -41.6 -27.4 -3.0 48.0 20 44 A E H X S+ 0 0 137 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.886 108.6 47.1 -61.0 -42.6 -29.2 -6.4 47.6 21 45 A A H X S+ 0 0 5 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.868 110.4 52.8 -66.9 -39.1 -28.9 -6.3 43.8 22 46 A L H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.879 106.5 52.9 -64.6 -40.5 -25.2 -5.2 44.0 23 47 A E H X S+ 0 0 81 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.871 108.9 49.4 -62.4 -38.8 -24.4 -8.2 46.2 24 48 A S H X S+ 0 0 47 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.892 109.9 52.1 -64.9 -40.3 -26.1 -10.6 43.7 25 49 A Y H < S+ 0 0 1 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.884 104.6 56.1 -63.1 -40.6 -24.0 -8.9 41.0 26 50 A K H < S+ 0 0 62 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.863 110.7 45.0 -57.2 -39.7 -20.8 -9.4 43.0 27 51 A K H < S+ 0 0 179 -4,-1.3 2,-0.3 1,-0.3 -2,-0.2 0.875 134.8 4.5 -74.3 -43.4 -21.5 -13.2 43.1 28 52 A D < + 0 0 75 -4,-2.1 4,-0.3 -5,-0.1 -1,-0.3 -0.843 59.5 161.4-149.2 110.2 -22.5 -13.6 39.5 29 53 A S > + 0 0 35 -2,-0.3 4,-1.9 -3,-0.2 5,-0.2 0.625 65.6 74.8-100.4 -17.9 -22.2 -10.8 36.9 30 54 A V H > S+ 0 0 93 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.923 98.6 39.5 -65.7 -50.0 -22.3 -12.8 33.7 31 55 A E H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.857 116.7 49.0 -76.2 -35.6 -25.9 -13.8 33.5 32 56 A I H > S+ 0 0 2 -4,-0.3 4,-2.1 2,-0.2 87,-0.2 0.903 112.7 48.6 -67.6 -40.3 -27.4 -10.5 34.7 33 57 A S H X S+ 0 0 19 -4,-1.9 4,-0.7 2,-0.2 86,-0.3 0.911 111.5 49.2 -66.8 -43.6 -25.2 -8.6 32.2 34 58 A K H >X S+ 0 0 115 -4,-2.1 3,-1.2 1,-0.2 4,-0.9 0.944 112.7 49.0 -55.6 -49.2 -26.2 -10.9 29.4 35 59 A Y H 3X S+ 0 0 15 -4,-2.2 4,-1.4 1,-0.3 3,-0.4 0.854 104.7 58.6 -58.4 -39.2 -29.8 -10.4 30.5 36 60 A S H 3< S+ 0 0 1 -4,-2.1 82,-0.4 1,-0.2 -1,-0.3 0.642 100.0 60.0 -69.1 -15.1 -29.4 -6.6 30.6 37 61 A Q H << S+ 0 0 66 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.865 122.3 14.5 -80.0 -39.7 -28.4 -6.5 26.9 38 62 A T H >< S+ 0 0 23 -4,-0.9 3,-1.7 -3,-0.4 4,-0.2 0.285 88.2 111.2-123.7 8.5 -31.5 -8.0 25.3 39 63 A R G >< S+ 0 0 2 -4,-1.4 3,-0.9 1,-0.3 -3,-0.1 0.762 74.7 60.9 -53.9 -30.4 -34.2 -7.8 28.1 40 64 A N G 3 S+ 0 0 1 1,-0.2 -1,-0.3 -4,-0.1 283,-0.1 0.448 88.1 70.4 -85.9 0.1 -36.2 -5.1 26.2 41 65 A Y G < S+ 0 0 3 -3,-1.7 -1,-0.2 283,-0.1 -2,-0.1 0.414 84.8 86.1 -93.3 -1.3 -37.0 -7.2 23.1 42 66 A F S < S- 0 0 25 -3,-0.9 283,-1.0 -4,-0.2 2,-0.0 -0.360 93.9 -78.4 -91.2 174.1 -39.4 -9.4 24.9 43 67 A Y > - 0 0 41 281,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.363 44.6-111.9 -64.7 155.9 -43.1 -8.9 25.6 44 68 A D H > S+ 0 0 104 281,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.860 120.4 44.4 -60.9 -36.4 -43.9 -6.6 28.4 45 69 A Y H > S+ 0 0 134 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.745 109.9 56.5 -77.6 -25.6 -45.3 -9.4 30.5 46 70 A Q H > S+ 0 0 56 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.883 109.0 46.6 -71.6 -39.2 -42.4 -11.6 29.6 47 71 A I H >< S+ 0 0 6 -4,-2.4 3,-0.7 2,-0.2 -2,-0.2 0.948 111.9 50.8 -62.3 -51.3 -40.0 -8.9 30.9 48 72 A E H 3< S+ 0 0 153 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.842 110.8 49.5 -57.8 -35.8 -42.1 -8.5 34.1 49 73 A A H 3< S+ 0 0 82 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.754 82.0 115.5 -77.3 -25.3 -42.0 -12.3 34.7 50 74 A N X< - 0 0 59 -4,-1.1 3,-1.7 -3,-0.7 4,-0.5 -0.184 66.0-137.3 -57.8 131.4 -38.3 -12.7 34.3 51 75 A S T 3 S+ 0 0 115 1,-0.3 4,-0.3 2,-0.1 3,-0.2 0.720 104.6 49.4 -59.0 -22.7 -36.5 -13.9 37.5 52 76 A R T 3> S+ 0 0 82 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.456 85.6 90.0 -97.2 -4.1 -33.7 -11.4 36.8 53 77 A E H <> S+ 0 0 5 -3,-1.7 4,-2.4 2,-0.2 5,-0.2 0.870 85.4 49.1 -65.9 -42.4 -35.9 -8.3 36.2 54 78 A K H > S+ 0 0 175 -4,-0.5 4,-2.3 2,-0.2 5,-0.2 0.909 112.3 50.0 -61.8 -43.0 -36.0 -7.0 39.8 55 79 A E H > S+ 0 0 34 -4,-0.3 4,-2.3 1,-0.2 5,-0.2 0.914 110.6 50.9 -60.1 -43.9 -32.2 -7.3 40.0 56 80 A Y H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.937 111.3 46.5 -58.3 -50.8 -31.9 -5.4 36.7 57 81 A K H X S+ 0 0 84 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.903 114.5 46.3 -60.5 -44.5 -34.1 -2.6 37.8 58 82 A E H X S+ 0 0 48 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.892 114.2 47.7 -67.2 -40.8 -32.5 -2.2 41.2 59 83 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.869 109.7 53.3 -66.5 -40.8 -28.9 -2.3 39.7 60 84 A R H X S+ 0 0 80 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.909 113.0 44.2 -58.3 -44.5 -30.0 0.3 37.1 61 85 A N H X S+ 0 0 70 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.871 109.1 56.9 -67.2 -42.7 -31.2 2.6 39.9 62 86 A A H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 4,-0.2 0.935 106.0 50.2 -52.4 -50.7 -28.0 1.9 41.9 63 87 A I H >< S+ 0 0 7 -4,-2.3 3,-1.7 1,-0.3 86,-0.6 0.892 105.3 57.1 -57.5 -43.4 -25.8 3.1 39.1 64 88 A S H 3< S+ 0 0 59 -4,-1.4 3,-0.3 1,-0.3 -1,-0.3 0.566 92.2 71.7 -66.1 -13.0 -27.9 6.3 38.7 65 89 A K T << S+ 0 0 72 -3,-1.5 -1,-0.3 -4,-0.6 2,-0.2 0.562 97.4 51.1 -78.2 -10.1 -27.2 7.2 42.4 66 90 A N S < S+ 0 0 35 -3,-1.7 83,-2.1 -4,-0.2 2,-0.4 -0.563 74.8 170.0-131.0 72.0 -23.5 8.0 41.5 67 91 A K B -A 148 0A 110 -3,-0.3 2,-0.3 81,-0.2 81,-0.2 -0.668 30.8-126.9 -92.3 133.5 -23.5 10.4 38.6 68 92 A I - 0 0 24 79,-2.1 78,-2.4 -2,-0.4 79,-0.4 -0.574 6.6-145.2 -76.9 136.3 -20.3 12.2 37.4 69 93 A D S S+ 0 0 126 -2,-0.3 -1,-0.1 76,-0.2 76,-0.1 0.458 83.4 30.0 -79.3 -3.9 -20.5 16.0 37.1 70 94 A K S S- 0 0 130 74,-0.1 77,-0.2 77,-0.1 76,-0.1 -0.969 102.2 -72.1-150.5 160.4 -18.2 16.0 34.1 71 95 A P - 0 0 55 0, 0.0 2,-0.4 0, 0.0 74,-0.1 -0.253 51.1-163.4 -57.1 141.9 -17.3 13.7 31.1 72 96 A M E -B 143 0B 38 71,-1.6 71,-3.8 72,-0.1 2,-0.4 -0.992 14.1-135.4-134.7 142.1 -15.2 10.7 32.1 73 97 A Y E -B 142 0B 102 -2,-0.4 2,-0.3 69,-0.2 69,-0.2 -0.776 24.1-172.9 -96.6 133.1 -13.1 8.2 30.2 74 98 A V E -B 141 0B 0 67,-2.2 67,-2.5 -2,-0.4 2,-0.4 -0.928 13.9-140.1-126.9 153.1 -13.3 4.5 30.9 75 99 A Y E +BC 140 123B 31 48,-3.1 48,-1.8 -2,-0.3 2,-0.3 -0.922 30.4 147.7-113.1 134.8 -11.4 1.4 29.8 76 100 A Y E -B 139 0B 10 63,-1.6 63,-3.4 -2,-0.4 2,-0.3 -0.964 40.9-114.3-159.5 152.1 -12.8 -2.0 28.9 77 101 A F E -B 138 0B 32 -2,-0.3 2,-0.3 61,-0.2 61,-0.2 -0.626 35.0-179.4 -87.5 146.9 -12.1 -4.8 26.6 78 102 A E E -B 137 0B 23 59,-2.2 59,-0.5 -2,-0.3 -2,-0.0 -0.964 31.3-107.3-143.4 153.4 -14.5 -5.7 23.8 79 103 A S > - 0 0 51 -2,-0.3 3,-1.9 1,-0.1 4,-0.3 -0.712 23.8-134.5 -79.8 133.1 -14.8 -8.2 21.0 80 104 A P G > >S+ 0 0 11 0, 0.0 3,-2.6 0, 0.0 5,-1.3 0.826 104.5 71.9 -54.6 -31.9 -14.2 -6.8 17.5 81 105 A E G > 5S+ 0 0 83 1,-0.3 3,-1.9 3,-0.2 5,-0.1 0.792 83.3 69.6 -51.5 -31.2 -17.4 -8.7 16.4 82 106 A K G < 5S+ 0 0 34 -3,-1.9 -1,-0.3 1,-0.3 4,-0.1 0.721 103.2 43.7 -58.9 -22.0 -19.3 -6.1 18.5 83 107 A F G < 5S- 0 0 0 -3,-2.6 -1,-0.3 -4,-0.3 -2,-0.2 -0.044 127.7 -96.4-116.1 29.0 -18.2 -3.6 15.7 84 108 A A T < 5S+ 0 0 16 -3,-1.9 2,-0.7 1,-0.2 -3,-0.2 0.778 85.7 129.2 63.1 32.1 -19.0 -5.9 12.7 85 109 A F < - 0 0 2 -5,-1.3 2,-1.1 -6,-0.1 -1,-0.2 -0.869 38.5-172.4-113.0 89.3 -15.4 -7.2 12.3 86 110 A N + 0 0 71 -2,-0.7 2,-0.3 -5,-0.1 -5,-0.0 -0.212 57.1 57.5 -90.1 45.3 -16.2 -10.9 12.3 87 111 A K S S- 0 0 107 -2,-1.1 2,-0.1 3,-0.0 -2,-0.1 -0.925 95.2 -74.7-159.2 168.7 -12.7 -12.2 12.4 88 112 A V - 0 0 82 -2,-0.3 3,-0.2 1,-0.1 -2,-0.1 -0.401 15.2-150.2 -76.1 147.9 -9.7 -11.9 14.8 89 113 A I S S- 0 0 5 1,-0.5 9,-0.3 -2,-0.1 2,-0.3 0.862 91.0 -28.4 -71.6 -43.1 -7.6 -8.8 15.0 90 114 A R S S- 0 0 5 7,-0.1 -1,-0.5 -3,-0.1 7,-0.1 -0.938 78.5 -91.8-158.9 161.0 -4.9 -11.4 16.0 91 115 A T > - 0 0 51 -2,-0.3 3,-1.3 -3,-0.2 44,-0.0 -0.375 36.3-116.7 -70.5 159.8 -5.0 -14.8 17.7 92 116 A E T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.1 43,-0.0 0.627 115.1 59.6 -75.8 -14.0 -4.6 -14.8 21.5 93 117 A N T 3 S+ 0 0 145 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.302 96.6 86.2 -90.5 9.6 -1.4 -16.8 21.1 94 118 A Q < - 0 0 84 -3,-1.3 85,-0.1 1,-0.1 -4,-0.0 -0.827 56.0-165.3-112.4 148.1 0.1 -13.9 19.1 95 119 A N + 0 0 84 -2,-0.3 84,-2.9 83,-0.1 2,-0.2 0.805 67.9 72.1 -91.3 -39.2 1.9 -10.7 20.1 96 120 A E - 0 0 124 82,-0.2 2,-0.5 1,-0.0 -2,-0.0 -0.476 55.7-159.3 -91.9 149.0 1.7 -8.8 16.9 97 121 A I - 0 0 3 -2,-0.2 -7,-0.1 83,-0.1 83,-0.1 -0.995 28.1-128.0-119.2 120.8 -1.1 -7.0 15.0 98 122 A S > - 0 0 62 -2,-0.5 4,-1.8 -9,-0.3 3,-0.3 -0.343 13.0-125.2 -66.9 147.4 -0.4 -6.4 11.3 99 123 A L H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.711 111.6 60.9 -67.8 -20.0 -0.8 -2.9 9.9 100 124 A E H > S+ 0 0 162 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.903 104.7 47.9 -67.7 -43.1 -3.2 -4.4 7.3 101 125 A K H > S+ 0 0 62 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.892 109.1 54.6 -62.6 -41.5 -5.5 -5.5 10.1 102 126 A F H X S+ 0 0 28 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.950 111.8 42.9 -55.3 -52.4 -5.3 -2.1 11.7 103 127 A N H X S+ 0 0 105 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.841 112.6 53.7 -65.0 -34.9 -6.4 -0.4 8.4 104 128 A E H X S+ 0 0 68 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.915 110.3 46.5 -65.2 -44.4 -9.1 -3.1 7.9 105 129 A F H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.911 112.4 51.3 -64.0 -44.1 -10.5 -2.4 11.4 106 130 A K H X S+ 0 0 66 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.932 109.0 50.3 -53.7 -51.4 -10.3 1.4 10.7 107 131 A E H < S+ 0 0 124 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.857 111.0 51.6 -56.4 -37.3 -12.2 0.9 7.4 108 132 A T H < S+ 0 0 24 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.929 117.0 33.7 -67.3 -48.7 -14.9 -1.1 9.3 109 133 A I H >< S+ 0 0 1 -4,-2.2 3,-1.4 -5,-0.1 58,-0.4 0.624 88.4 129.2 -87.5 -13.3 -15.7 1.3 12.1 110 134 A Q T 3< S- 0 0 71 -4,-1.8 3,-0.1 1,-0.3 58,-0.1 -0.169 84.0 -14.2 -49.1 119.5 -15.1 4.4 10.0 111 135 A N T 3 S+ 0 0 144 56,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.785 106.1 122.4 58.5 35.1 -18.0 7.0 10.2 112 136 A K < - 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