==== 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 2WN7 . 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 . 392 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 71.7 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 18.9 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 35 8.9 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 . 96 24.5 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 1 0 1 0 4 1 0 1 0 0 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 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 27 A E > 0 0 172 0, 0.0 4,-1.6 0, 0.0 155,-0.1 0.000 360.0 360.0 360.0-107.3 21.1 3.1 42.9 2 28 A R H > + 0 0 126 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.834 360.0 54.0 -69.6 -36.1 20.5 0.6 45.8 3 29 A K H > S+ 0 0 131 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.861 107.1 49.7 -69.0 -37.8 20.0 3.5 48.2 4 30 A E H > S+ 0 0 88 2,-0.2 4,-3.2 1,-0.2 3,-0.3 0.936 108.9 53.6 -61.9 -46.9 17.3 5.1 45.9 5 31 A A H X S+ 0 0 3 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.825 108.1 49.4 -58.1 -36.5 15.5 1.7 45.8 6 32 A E H < S+ 0 0 70 -4,-1.6 4,-0.4 2,-0.2 -1,-0.2 0.801 114.3 45.6 -76.6 -29.6 15.4 1.4 49.6 7 33 A R H >< S+ 0 0 127 -4,-1.4 3,-1.3 -3,-0.3 4,-0.5 0.931 111.9 50.1 -71.7 -49.7 14.0 5.0 49.8 8 34 A I H >< S+ 0 0 2 -4,-3.2 3,-1.0 1,-0.3 4,-0.3 0.771 99.8 67.7 -62.8 -27.3 11.4 4.5 47.1 9 35 A E G >< S+ 0 0 76 -4,-1.2 3,-1.2 -5,-0.3 -1,-0.3 0.798 91.3 61.2 -61.9 -31.2 10.3 1.2 48.8 10 36 A Q G < S+ 0 0 131 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.742 95.5 61.5 -69.8 -23.8 8.9 3.3 51.7 11 37 A K G < S+ 0 0 83 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.2 0.574 88.1 99.4 -76.8 -11.5 6.5 5.1 49.4 12 38 A L S < S- 0 0 12 -3,-1.2 48,-0.0 -4,-0.3 2,-0.0 -0.584 70.5-127.9 -88.1 138.7 4.8 1.8 48.5 13 39 A E > - 0 0 113 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.271 33.4-106.2 -64.7 162.6 1.5 0.4 49.9 14 40 A R H > S+ 0 0 195 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.878 123.1 50.9 -62.0 -39.3 1.5 -3.2 51.3 15 41 A S H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.876 111.5 48.2 -65.3 -36.8 -0.4 -4.4 48.2 16 42 A E H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.888 110.7 49.9 -70.9 -41.7 2.2 -2.7 45.9 17 43 A K H X S+ 0 0 40 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.858 110.7 52.2 -57.5 -37.7 5.1 -4.2 47.9 18 44 A E H X S+ 0 0 137 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.904 107.4 50.7 -67.5 -43.2 3.2 -7.5 47.5 19 45 A A H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.876 108.2 52.9 -60.2 -41.2 3.0 -7.1 43.7 20 46 A L H X S+ 0 0 12 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.832 104.9 55.1 -64.1 -35.0 6.8 -6.3 43.6 21 47 A E H X S+ 0 0 98 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.906 110.1 45.8 -65.4 -43.1 7.6 -9.6 45.4 22 48 A S H >X S+ 0 0 50 -4,-1.6 4,-2.0 1,-0.2 3,-0.5 0.892 108.7 56.9 -63.3 -43.3 5.6 -11.6 42.8 23 49 A Y H 3X S+ 0 0 2 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.901 103.3 53.6 -55.8 -42.8 7.4 -9.7 40.1 24 50 A K H 3< S+ 0 0 50 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.823 116.9 38.2 -63.2 -28.8 10.7 -10.7 41.4 25 51 A K H << S+ 0 0 176 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.691 133.3 23.6 -89.9 -22.6 9.6 -14.4 41.3 26 52 A D H X S+ 0 0 49 -4,-2.0 4,-1.9 -5,-0.1 5,-0.2 -0.132 71.7 140.7-142.1 36.3 7.6 -14.2 38.0 27 53 A S H X S+ 0 0 41 -4,-0.7 4,-2.4 1,-0.2 5,-0.2 0.851 71.8 53.5 -54.8 -43.5 9.0 -11.2 36.0 28 54 A V H > S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.937 112.3 39.9 -61.3 -54.1 8.8 -12.9 32.6 29 55 A E H > S+ 0 0 73 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.781 115.9 51.8 -70.7 -30.2 5.2 -14.0 32.6 30 56 A I H X S+ 0 0 2 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.908 111.3 47.2 -70.2 -42.5 4.0 -10.7 34.3 31 57 A S H X S+ 0 0 17 -4,-2.4 4,-0.9 -5,-0.2 86,-0.3 0.921 113.3 48.8 -62.5 -46.5 5.8 -8.6 31.6 32 58 A K H >X S+ 0 0 113 -4,-2.4 4,-1.0 1,-0.2 3,-0.9 0.933 112.6 48.4 -56.7 -49.2 4.4 -10.8 28.9 33 59 A Y H >X S+ 0 0 18 -4,-2.2 4,-2.3 1,-0.2 3,-0.8 0.907 105.6 57.8 -55.7 -46.7 0.9 -10.4 30.4 34 60 A S H 3< S+ 0 0 1 -4,-2.8 82,-0.3 1,-0.2 -1,-0.2 0.711 105.0 53.5 -59.9 -20.8 1.4 -6.6 30.7 35 61 A Q H << S+ 0 0 71 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.763 124.4 19.0 -82.8 -31.7 1.9 -6.5 26.9 36 62 A T H X< S+ 0 0 31 -4,-1.0 3,-2.1 -3,-0.8 4,-0.2 0.444 88.3 105.2-123.8 -3.0 -1.3 -8.3 25.8 37 63 A R G >< S+ 0 0 5 -4,-2.3 3,-1.0 1,-0.3 -3,-0.1 0.800 77.8 59.8 -51.1 -35.6 -3.7 -8.2 28.7 38 64 A N G 3 S+ 0 0 1 1,-0.2 -1,-0.3 -4,-0.2 285,-0.1 0.452 92.0 68.0 -78.5 -0.3 -5.9 -5.5 27.0 39 65 A Y G < S+ 0 0 4 -3,-2.1 -1,-0.2 285,-0.1 -2,-0.1 0.467 86.8 80.2 -95.8 -2.3 -6.7 -7.6 23.9 40 66 A F S < S- 0 0 27 -3,-1.0 285,-1.3 -4,-0.2 2,-0.1 -0.338 93.6 -75.7 -97.1 177.0 -8.9 -10.2 25.7 41 67 A Y >> - 0 0 35 283,-0.2 4,-2.3 1,-0.1 3,-0.7 -0.434 42.9-113.1 -69.2 150.3 -12.5 -10.1 26.9 42 68 A D H 3> S+ 0 0 105 283,-0.4 4,-2.3 1,-0.2 5,-0.2 0.857 119.4 51.0 -47.3 -41.3 -13.3 -8.0 30.0 43 69 A Y H 3> S+ 0 0 148 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.768 108.1 51.0 -74.4 -27.3 -14.2 -11.3 31.8 44 70 A Q H <> S+ 0 0 62 -3,-0.7 4,-1.1 2,-0.2 -2,-0.2 0.879 111.4 49.7 -71.7 -39.5 -10.9 -13.0 30.8 45 71 A I H < S+ 0 0 4 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.926 111.2 47.0 -63.0 -49.1 -9.1 -9.9 32.1 46 72 A E H < S+ 0 0 140 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.767 114.2 49.3 -65.7 -26.3 -10.9 -9.8 35.5 47 73 A A H < S+ 0 0 78 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.688 82.8 113.9 -86.8 -21.9 -10.3 -13.6 35.9 48 74 A N >< - 0 0 59 -4,-1.1 3,-1.7 -3,-0.5 4,-0.5 -0.306 64.8-139.8 -62.2 131.6 -6.6 -13.6 35.1 49 75 A S T 3 S+ 0 0 108 1,-0.3 4,-0.3 2,-0.1 -1,-0.1 0.597 103.3 49.5 -65.8 -15.4 -4.4 -14.5 38.1 50 76 A R T 3> S+ 0 0 73 2,-0.1 4,-1.8 1,-0.1 -1,-0.3 0.339 86.7 89.2-106.6 5.9 -1.9 -11.9 37.1 51 77 A E H <> S+ 0 0 7 -3,-1.7 4,-2.1 2,-0.2 -2,-0.1 0.876 88.8 44.2 -72.7 -43.7 -4.4 -9.0 36.7 52 78 A K H > S+ 0 0 161 -4,-0.5 4,-2.5 2,-0.2 5,-0.2 0.920 113.2 55.6 -65.2 -42.8 -4.4 -7.6 40.3 53 79 A E H > S+ 0 0 21 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.897 107.0 49.4 -49.1 -49.1 -0.6 -8.0 40.1 54 80 A Y H X S+ 0 0 13 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.947 111.4 47.2 -58.1 -53.5 -0.6 -5.8 36.9 55 81 A K H X S+ 0 0 74 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.894 114.3 46.6 -57.3 -47.8 -2.7 -3.0 38.5 56 82 A E H X S+ 0 0 37 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.919 114.7 45.8 -62.1 -48.5 -0.7 -2.9 41.7 57 83 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.896 112.2 52.6 -63.4 -41.4 2.6 -2.9 39.9 58 84 A R H X S+ 0 0 87 -4,-3.0 4,-1.4 -5,-0.2 -2,-0.2 0.937 111.6 47.0 -56.1 -49.2 1.3 -0.2 37.5 59 85 A N H < S+ 0 0 55 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.869 107.8 55.6 -60.1 -40.5 0.3 1.9 40.6 60 86 A A H >< S+ 0 0 1 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.934 106.6 50.0 -60.5 -47.0 3.7 1.4 42.3 61 87 A I H >< S+ 0 0 6 -4,-1.9 3,-1.4 1,-0.3 86,-0.7 0.841 103.4 60.2 -59.5 -37.8 5.6 2.8 39.3 62 88 A S T 3< S+ 0 0 57 -4,-1.4 -1,-0.3 1,-0.3 3,-0.2 0.577 92.5 69.0 -69.7 -10.3 3.3 5.9 39.1 63 89 A K T < S+ 0 0 78 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.3 0.452 97.7 52.3 -90.9 -1.8 4.4 6.9 42.6 64 90 A N S < S+ 0 0 26 -3,-1.4 83,-2.5 -4,-0.2 2,-0.3 -0.743 73.5 173.1-132.7 88.2 7.9 7.7 41.5 65 91 A K B -A 146 0A 114 -2,-0.3 81,-0.2 81,-0.2 2,-0.2 -0.730 32.5-117.3 -96.8 141.5 7.8 10.1 38.6 66 92 A I - 0 0 13 79,-1.9 78,-3.1 -2,-0.3 79,-0.1 -0.555 10.4-147.9 -78.4 140.7 10.9 11.7 37.1 67 93 A D S S+ 0 0 98 -2,-0.2 76,-0.1 76,-0.2 -1,-0.1 0.564 81.0 22.0 -86.4 -9.8 11.1 15.5 37.3 68 94 A K S S- 0 0 119 74,-0.1 76,-0.2 77,-0.1 77,-0.1 -0.963 99.9 -73.5-147.5 163.3 13.1 15.8 34.0 69 95 A P - 0 0 66 0, 0.0 2,-0.4 0, 0.0 74,-0.1 -0.289 51.8-167.6 -59.2 146.0 13.7 13.8 30.9 70 96 A M E -B 141 0B 39 71,-2.4 71,-3.6 -4,-0.1 2,-0.4 -0.995 18.7-129.5-140.4 140.5 16.0 10.8 31.4 71 97 A Y E -B 140 0B 94 -2,-0.4 2,-0.3 69,-0.3 69,-0.2 -0.760 26.4-168.3 -89.0 135.5 17.9 8.4 29.2 72 98 A V E -B 139 0B 0 67,-2.7 67,-2.5 -2,-0.4 2,-0.4 -0.940 9.5-143.9-122.8 150.7 17.5 4.7 29.8 73 99 A Y E +BC 138 121B 34 48,-3.1 48,-2.0 -2,-0.3 2,-0.3 -0.900 29.1 145.4-110.3 140.9 19.4 1.6 28.6 74 100 A Y E -B 137 0B 12 63,-1.5 63,-3.4 -2,-0.4 2,-0.2 -0.903 42.6-113.5-165.9 148.8 18.0 -1.8 27.7 75 101 A F E -B 136 0B 33 -2,-0.3 2,-0.3 61,-0.2 61,-0.2 -0.565 35.6-171.7 -80.9 145.9 18.6 -4.6 25.2 76 102 A E E -B 135 0B 24 59,-2.4 59,-0.5 -2,-0.2 -2,-0.0 -0.954 28.0-108.7-138.5 152.2 15.9 -5.4 22.7 77 103 A S > - 0 0 51 -2,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.738 23.4-136.7 -79.9 130.3 15.2 -8.0 20.0 78 104 A P G > >S+ 0 0 13 0, 0.0 5,-1.9 0, 0.0 3,-1.7 0.757 103.6 70.4 -53.2 -29.4 15.6 -6.6 16.5 79 105 A E G > 5S+ 0 0 93 1,-0.3 3,-1.4 3,-0.2 5,-0.1 0.716 84.7 70.7 -62.6 -21.2 12.3 -8.5 15.6 80 106 A K G < 5S+ 0 0 36 -3,-2.1 -1,-0.3 1,-0.3 4,-0.1 0.778 100.8 43.6 -63.2 -28.3 10.7 -5.8 17.8 81 107 A F G < 5S- 0 0 0 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 -0.050 129.6 -95.3-109.8 30.0 11.4 -3.3 15.1 82 108 A A T < 5S+ 0 0 12 -3,-1.4 2,-0.8 1,-0.2 -3,-0.2 0.694 85.8 131.7 64.0 24.5 10.3 -5.6 12.3 83 109 A F < - 0 0 4 -5,-1.9 2,-1.3 -6,-0.1 -1,-0.2 -0.851 35.4-173.7-101.7 93.4 13.8 -6.9 11.5 84 110 A N + 0 0 73 -2,-0.8 2,-0.3 -5,-0.1 -5,-0.1 -0.310 54.3 73.1 -90.3 52.8 13.1 -10.6 11.5 85 111 A K S S- 0 0 106 -2,-1.3 2,-0.2 3,-0.0 3,-0.1 -0.973 88.5 -90.8-157.3 155.6 16.7 -11.7 11.1 86 112 A V - 0 0 100 -2,-0.3 3,-0.2 1,-0.2 -2,-0.1 -0.549 19.1-155.2 -73.7 137.5 19.9 -11.9 13.2 87 113 A I S S- 0 0 7 1,-0.5 9,-0.3 -2,-0.2 2,-0.3 0.865 82.3 -28.2 -74.8 -41.1 22.1 -8.9 13.1 88 114 A R S S- 0 0 18 7,-0.1 -1,-0.5 -3,-0.1 2,-0.1 -0.937 75.4 -97.5-162.1 161.6 24.9 -11.3 14.0 89 115 A T - 0 0 62 -2,-0.3 3,-0.1 -3,-0.2 0, 0.0 -0.415 35.3-110.2 -78.9 163.3 25.2 -14.5 15.9 90 116 A E S S+ 0 0 87 1,-0.2 -1,-0.1 -2,-0.1 43,-0.0 0.864 121.0 51.7 -58.2 -39.7 26.2 -14.7 19.6 91 117 A N S S+ 0 0 89 2,-0.0 -1,-0.2 0, 0.0 2,-0.0 0.849 96.1 86.6 -65.2 -37.3 29.5 -16.3 18.5 92 118 A Q - 0 0 102 1,-0.1 -4,-0.1 -3,-0.1 3,-0.0 -0.277 57.3-164.2 -68.6 151.0 30.2 -13.5 15.9 93 119 A N + 0 0 94 85,-0.1 86,-3.8 87,-0.0 2,-0.3 0.718 64.2 65.4-103.2 -31.9 32.0 -10.3 16.8 94 120 A E - 0 0 61 84,-0.2 2,-0.5 85,-0.0 -2,-0.0 -0.668 56.8-154.7-102.2 150.5 31.3 -8.0 13.9 95 121 A I - 0 0 1 -2,-0.3 -7,-0.1 85,-0.1 85,-0.1 -0.995 32.7-128.4-114.0 118.8 28.2 -6.5 12.4 96 122 A S > - 0 0 65 -2,-0.5 4,-1.9 -9,-0.3 5,-0.1 -0.211 12.9-120.4 -65.0 159.2 28.7 -5.8 8.7 97 123 A L H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.783 115.2 56.2 -67.5 -32.4 28.0 -2.4 7.2 98 124 A E H > S+ 0 0 169 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.884 108.5 45.3 -64.8 -42.5 25.5 -4.0 4.9 99 125 A K H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.867 111.6 53.5 -71.8 -38.1 23.5 -5.5 7.8 100 126 A F H X S+ 0 0 21 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.936 111.8 44.5 -55.5 -51.1 23.7 -2.1 9.7 101 127 A N H X S+ 0 0 64 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.812 109.9 55.3 -70.1 -30.9 22.3 -0.3 6.7 102 128 A E H X S+ 0 0 61 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.890 110.2 46.2 -66.1 -39.8 19.6 -3.0 6.2 103 129 A F H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.934 112.4 51.4 -64.2 -46.8 18.5 -2.4 9.8 104 130 A K H X S+ 0 0 67 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.917 109.1 49.7 -52.9 -49.8 18.6 1.4 9.2 105 131 A E H < S+ 0 0 135 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.841 111.5 51.0 -59.4 -36.3 16.4 1.0 6.1 106 132 A T H < S+ 0 0 26 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.864 115.4 37.8 -69.6 -43.2 13.9 -1.1 8.1 107 133 A I H >< S+ 0 0 11 -4,-2.1 3,-1.2 -5,-0.1 60,-0.3 0.581 90.1 121.8 -88.6 -10.3 13.5 1.2 11.1 108 134 A Q T 3< S- 0 0 91 -4,-1.4 3,-0.1 1,-0.2 60,-0.1 -0.304 82.4 -4.2 -64.3 129.1 13.6 4.4 9.0 109 135 A N T 3 S+ 0 0 148 58,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.771 104.9 120.2 61.4 32.6 10.6 6.8 9.1 110 136 A K < - 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