==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-SEP-03 1QX6 . COMPND 2 MOLECULE: NPQTN SPECIFIC SORTASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR Y.ZONG,S.K.MAZMANIAN,O.SCHNEEWIND,S.V.NARAYANA . 214 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10679.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 19.2 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 15 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 19.6 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 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 1 1 1 0 2 1 0 0 0 1 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 31 A E > 0 0 170 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -81.5 10.8 25.8 -7.7 2 32 A D T 4 + 0 0 123 1,-0.3 4,-0.2 2,-0.2 0, 0.0 0.660 360.0 34.7 -62.5 -15.2 11.0 27.8 -4.5 3 33 A K T > S+ 0 0 149 2,-0.1 4,-0.9 3,-0.1 -1,-0.3 0.489 111.5 60.3-113.2 -13.7 7.2 27.8 -4.7 4 34 A Q H > S+ 0 0 86 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.792 98.5 61.0 -81.0 -30.3 6.9 24.3 -6.1 5 35 A E H X S+ 0 0 12 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.876 106.2 45.0 -62.4 -37.8 8.7 23.1 -3.0 6 36 A R H > S+ 0 0 81 -5,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.823 109.3 58.4 -73.9 -30.0 5.8 24.5 -1.0 7 37 A A H X S+ 0 0 24 -4,-0.9 4,-3.0 2,-0.2 -2,-0.2 0.937 106.9 46.1 -63.7 -47.5 3.5 22.8 -3.5 8 38 A N H X S+ 0 0 15 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.951 114.7 45.5 -60.6 -52.0 5.0 19.4 -2.8 9 39 A Y H X S+ 0 0 14 -4,-1.9 4,-3.3 1,-0.2 5,-0.2 0.877 113.1 52.7 -61.4 -35.5 4.8 19.8 1.0 10 40 A E H X S+ 0 0 107 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.982 110.9 45.4 -62.1 -55.3 1.3 21.1 0.6 11 41 A K H X S+ 0 0 121 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.956 118.2 43.6 -48.9 -59.1 0.3 18.1 -1.4 12 42 A L H X S+ 0 0 9 -4,-3.1 4,-3.5 2,-0.2 5,-0.3 0.877 110.9 53.6 -57.2 -44.4 1.9 15.7 1.0 13 43 A Q H X S+ 0 0 40 -4,-3.3 4,-2.5 -5,-0.2 -1,-0.2 0.954 113.0 44.6 -57.7 -46.9 0.7 17.5 4.1 14 44 A Q H X S+ 0 0 128 -4,-2.9 4,-1.6 -5,-0.2 -2,-0.2 0.889 113.1 52.0 -64.8 -36.5 -2.8 17.2 2.8 15 45 A K H X S+ 0 0 78 -4,-2.5 4,-1.9 -5,-0.3 3,-0.3 0.953 110.2 47.1 -63.9 -50.0 -2.2 13.6 1.8 16 46 A F H X S+ 0 0 4 -4,-3.5 4,-2.9 1,-0.2 5,-0.2 0.932 108.2 56.5 -57.4 -47.3 -0.9 12.6 5.2 17 47 A Q H < S+ 0 0 76 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.860 108.7 46.2 -52.5 -41.3 -3.9 14.4 6.9 18 48 A X H >X S+ 0 0 90 -4,-1.6 4,-2.9 -3,-0.3 3,-0.8 0.840 111.9 51.0 -73.1 -34.2 -6.4 12.2 4.9 19 49 A L H 3X>S+ 0 0 2 -4,-1.9 4,-2.2 1,-0.2 5,-0.7 0.951 106.3 53.9 -65.7 -48.3 -4.5 9.1 5.6 20 50 A X H 3<5S+ 0 0 38 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.499 116.4 42.8 -63.4 -3.1 -4.5 9.9 9.4 21 51 A S H <45S+ 0 0 69 -3,-0.8 -2,-0.2 -5,-0.2 -1,-0.2 0.719 109.4 52.0-110.6 -40.2 -8.2 10.2 8.9 22 52 A K H <5S+ 0 0 140 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.978 129.3 21.1 -62.5 -54.8 -9.0 7.2 6.7 23 53 A H T ><5S+ 0 0 53 -4,-2.2 3,-1.4 1,-0.2 2,-0.4 0.745 86.3 167.7 -86.4 -25.2 -7.3 4.7 9.0 24 54 A Q T 3 + 0 0 15 104,-0.1 4,-1.5 -2,-0.1 5,-0.2 0.572 64.8 81.2-115.0 -23.1 -0.7 4.0 11.8 28 58 A R H > S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.905 96.6 45.2 -50.5 -49.4 0.8 1.0 10.0 29 59 A P H > S+ 0 0 33 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.816 103.5 62.0 -67.6 -35.4 -1.1 1.8 6.8 30 60 A Q H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.908 113.5 36.1 -60.6 -40.4 -0.4 5.6 6.7 31 61 A F H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.811 108.7 60.1 -84.8 -28.5 3.3 4.9 6.5 32 62 A E H < S+ 0 0 95 -4,-1.7 4,-0.4 -5,-0.2 -1,-0.2 0.857 110.8 48.8 -63.1 -28.3 3.2 1.8 4.2 33 63 A S H >X S+ 0 0 14 -4,-1.6 3,-1.2 2,-0.2 4,-0.7 0.918 109.6 46.9 -74.0 -47.7 1.5 4.4 2.0 34 64 A L H 3X S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 3,-0.4 0.795 103.5 66.4 -65.4 -26.6 4.1 7.1 2.3 35 65 A E H 3< S+ 0 0 51 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.702 87.5 66.0 -69.3 -19.0 6.8 4.4 1.7 36 66 A K H <4 S+ 0 0 176 -3,-1.2 3,-0.2 -4,-0.4 -1,-0.2 0.939 104.3 46.4 -65.0 -43.4 5.5 4.0 -1.9 37 67 A I H < S- 0 0 69 -4,-0.7 2,-0.3 -3,-0.4 -2,-0.2 0.954 141.2 -11.5 -60.0 -53.6 6.8 7.5 -2.5 38 68 A N >< - 0 0 12 -4,-1.7 3,-1.8 3,-0.1 -1,-0.3 -0.901 53.6-148.9-155.0 122.5 10.1 6.8 -0.7 39 69 A K T 3 S+ 0 0 143 -2,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.674 97.0 68.9 -63.1 -19.1 11.0 3.8 1.4 40 70 A D T 3 + 0 0 28 30,-0.2 18,-0.9 -5,-0.1 2,-0.9 0.413 69.7 105.7 -83.1 3.1 13.3 6.1 3.4 41 71 A I E < +A 57 0A 0 -3,-1.8 16,-0.2 16,-0.2 -3,-0.1 -0.758 40.3 166.4 -84.9 109.0 10.3 8.0 4.9 42 72 A V E - 0 0 21 14,-2.0 89,-0.4 -2,-0.9 2,-0.3 0.402 52.8 -14.9-106.2 0.9 10.3 6.6 8.5 43 73 A G E -A 56 0A 0 13,-1.1 13,-3.5 87,-0.2 2,-0.4 -0.997 55.0-110.3 179.5-179.6 8.0 9.0 10.3 44 74 A W E -AB 55 129A 1 85,-3.0 85,-2.5 -2,-0.3 2,-0.4 -0.999 16.2-164.3-138.7 139.7 6.1 12.3 10.6 45 75 A I E +AB 54 128A 0 9,-2.6 9,-1.7 -2,-0.4 2,-0.3 -0.991 16.1 170.3-125.3 129.9 6.5 15.3 12.8 46 76 A K E -AB 53 127A 41 81,-2.7 81,-3.1 -2,-0.4 2,-0.4 -1.000 20.6-172.4-144.0 140.9 3.8 17.9 13.3 47 77 A L > - 0 0 2 5,-2.6 3,-1.3 -2,-0.3 5,-0.3 -0.974 34.0-125.0-130.5 111.7 3.2 20.9 15.6 48 78 A S T 3 S+ 0 0 74 -2,-0.4 3,-0.1 77,-0.3 77,-0.1 -0.264 90.4 24.0 -62.9 143.1 -0.2 22.4 15.2 49 79 A G T 3 S+ 0 0 83 1,-0.3 2,-0.2 2,-0.0 -1,-0.2 0.529 113.1 78.4 81.8 8.6 -0.6 26.1 14.4 50 80 A T S < S- 0 0 36 -3,-1.3 -1,-0.3 2,-0.2 -3,-0.1 -0.801 90.6-106.0-136.9 178.1 2.9 26.2 12.9 51 81 A S S S+ 0 0 26 -2,-0.2 2,-1.4 -3,-0.1 56,-0.2 0.446 84.4 110.2 -86.7 -1.5 4.7 25.3 9.7 52 82 A L + 0 0 0 -5,-0.3 -5,-2.6 54,-0.1 -2,-0.2 -0.613 39.1 119.5 -76.8 96.1 6.4 22.3 11.4 53 83 A N E +A 46 0A 17 -2,-1.4 -7,-0.2 -7,-0.2 -1,-0.1 -0.454 36.0 126.9-162.1 75.5 4.5 19.6 9.5 54 84 A Y E -A 45 0A 13 -9,-1.7 -9,-2.6 53,-0.0 2,-0.2 -0.855 57.6-100.6-135.5 166.9 6.8 17.3 7.5 55 85 A P E -A 44 0A 3 0, 0.0 25,-0.7 0, 0.0 2,-0.5 -0.600 38.6-126.9 -85.5 150.6 7.8 13.7 6.9 56 86 A V E -Ac 43 80A 0 -13,-3.5 -14,-2.0 -2,-0.2 -13,-1.1 -0.872 23.8-155.9-104.2 133.0 11.0 12.4 8.6 57 87 A L E -Ac 41 81A 0 23,-3.0 25,-3.8 -2,-0.5 2,-0.3 -0.492 11.1-170.9-101.7 170.1 13.7 10.7 6.6 58 88 A Q + 0 0 29 -18,-0.9 2,-0.2 23,-0.2 25,-0.1 -0.880 10.4 170.8-162.0 125.2 16.5 8.3 7.3 59 89 A G - 0 0 15 2,-0.5 6,-0.0 23,-0.4 3,-0.0 -0.524 52.9 -86.1-122.7-168.3 19.4 7.2 5.1 60 90 A K S S+ 0 0 178 -2,-0.2 2,-0.2 25,-0.0 -1,-0.0 0.807 111.9 28.7 -72.7 -27.5 22.6 5.2 5.5 61 91 A T S > S- 0 0 42 22,-0.0 3,-0.6 24,-0.0 -2,-0.5 -0.773 83.8-110.8-128.0 172.2 24.4 8.4 6.6 62 92 A N T 3 S+ 0 0 46 -2,-0.2 19,-0.1 1,-0.2 21,-0.0 0.200 116.6 48.6 -86.7 14.1 23.7 11.7 8.3 63 93 A H T 3> S+ 0 0 126 2,-0.1 4,-0.5 3,-0.1 3,-0.5 0.312 81.8 96.4-129.9 2.2 24.2 13.6 5.1 64 94 A D T <4 S+ 0 0 40 -3,-0.6 3,-0.2 1,-0.2 -2,-0.1 0.915 99.9 24.0 -59.7 -47.5 22.1 11.5 2.9 65 95 A Y T >4 S+ 0 0 1 -4,-0.3 14,-1.1 1,-0.2 3,-0.8 0.218 91.2 107.1-107.1 17.6 19.0 13.8 3.2 66 96 A L T 34 S+ 0 0 12 -3,-0.5 13,-0.2 1,-0.3 -1,-0.2 0.951 100.7 16.1 -56.5 -51.3 20.9 17.0 4.1 67 97 A N T 3< S+ 0 0 56 -4,-0.5 8,-1.9 -3,-0.2 2,-0.3 -0.089 114.8 86.5-117.3 36.0 20.2 18.4 0.7 68 98 A L B < -I 74 0B 19 -3,-0.8 6,-0.2 6,-0.2 2,-0.1 -0.996 61.9-143.5-135.4 139.6 17.4 16.1 -0.6 69 99 A D > - 0 0 1 4,-2.0 3,-1.7 -2,-0.3 10,-0.2 -0.236 46.9 -80.2 -88.9-173.9 13.7 16.3 -0.1 70 100 A F T 3 S+ 0 0 9 1,-0.3 -30,-0.2 8,-0.2 -29,-0.1 0.642 130.6 50.1 -65.0 -17.6 11.4 13.3 0.4 71 101 A E T 3 S- 0 0 75 2,-0.1 -1,-0.3 -33,-0.0 -33,-0.0 0.133 121.1-105.8-105.7 18.1 11.3 12.4 -3.3 72 102 A R S < S+ 0 0 121 -3,-1.7 2,-0.3 1,-0.2 -2,-0.1 0.856 70.9 144.3 61.4 42.8 15.1 12.6 -3.6 73 103 A E - 0 0 105 5,-0.1 -4,-2.0 -4,-0.0 2,-0.2 -0.827 57.6-103.4-105.4 146.1 15.3 15.9 -5.4 74 104 A H B +I 68 0B 152 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.542 52.0 160.0 -72.8 134.3 18.2 18.3 -4.7 75 105 A R > - 0 0 51 -8,-1.9 3,-1.3 -2,-0.2 4,-0.1 -0.976 47.7-128.4-153.6 141.7 17.1 21.2 -2.5 76 106 A R T 3 S+ 0 0 161 -2,-0.3 -8,-0.1 1,-0.3 -1,-0.1 0.825 112.5 49.3 -61.8 -29.9 19.0 23.6 -0.2 77 107 A K T 3 S- 0 0 14 1,-0.2 23,-0.6 -10,-0.1 -1,-0.3 0.479 86.1-175.5 -89.3 -3.0 16.6 22.8 2.6 78 108 A G < - 0 0 0 -3,-1.3 2,-0.3 -11,-0.1 -1,-0.2 -0.169 35.9 -66.3 49.1-124.3 16.8 19.0 2.3 79 109 A S - 0 0 1 -14,-1.1 2,-0.7 -13,-0.2 21,-0.3 -0.886 43.7 -90.4-149.5 176.4 14.5 17.2 4.6 80 110 A I E -c 56 0A 0 -25,-0.7 -23,-3.0 -2,-0.3 2,-0.4 -0.891 58.7-176.0 -94.1 121.6 13.9 16.6 8.3 81 111 A F E -cD 57 98A 3 17,-2.4 17,-2.6 -2,-0.7 -23,-0.2 -0.982 25.1-128.5-133.9 141.7 15.9 13.5 8.9 82 112 A X E - D 0 97A 3 -25,-3.8 -23,-0.4 -2,-0.4 15,-0.2 -0.429 45.0 -88.3 -78.4 150.4 16.6 11.0 11.7 83 113 A D > - 0 0 0 13,-2.3 3,-0.9 1,-0.2 -1,-0.1 -0.349 34.0-126.3 -59.2 136.1 20.1 10.1 12.8 84 114 A F T 3 S+ 0 0 100 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.661 108.0 58.3 -60.5 -14.6 21.2 7.1 10.7 85 115 A R T 3 S+ 0 0 96 2,-0.1 -1,-0.2 11,-0.0 -2,-0.0 0.816 84.8 99.2 -85.2 -33.2 22.0 5.4 14.0 86 116 A N S < S- 0 0 5 -3,-0.9 2,-0.4 10,-0.1 5,-0.1 -0.018 70.1-120.9 -58.2 159.1 18.6 5.5 15.6 87 117 A E - 0 0 98 1,-0.2 5,-0.2 3,-0.1 -1,-0.1 -0.869 13.3-164.8-106.2 132.9 16.1 2.6 15.6 88 118 A L S S+ 0 0 46 -2,-0.4 3,-0.3 3,-0.1 -1,-0.2 0.972 88.0 41.7 -77.1 -58.1 12.6 2.8 14.1 89 119 A K S S+ 0 0 126 1,-0.2 2,-0.8 42,-0.0 -2,-0.0 0.975 128.2 20.5 -52.4 -75.4 11.0 -0.3 15.7 90 120 A N S S- 0 0 104 1,-0.0 -1,-0.2 0, 0.0 -3,-0.1 -0.861 90.9-130.7-105.8 103.4 12.3 -0.0 19.3 91 121 A L - 0 0 25 -2,-0.8 2,-0.1 -3,-0.3 -3,-0.1 0.029 13.4-129.6 -48.6 153.0 13.5 3.5 20.1 92 122 A N - 0 0 23 -5,-0.2 3,-0.2 95,-0.1 63,-0.1 -0.267 38.2 -92.5 -89.4-175.7 16.8 4.2 21.7 93 123 A H S S+ 0 0 59 1,-0.3 94,-4.2 61,-0.3 2,-0.4 0.891 117.6 27.8 -67.8 -37.6 17.1 6.4 24.8 94 124 A N E S- e 0 187A 0 60,-1.8 2,-0.6 92,-0.2 -1,-0.3 -0.944 70.1-165.6-133.3 111.1 17.7 9.5 22.6 95 125 A T E - e 0 188A 0 92,-2.3 94,-2.5 -2,-0.4 2,-0.3 -0.841 17.0-151.0 -95.5 118.2 16.3 9.7 19.0 96 126 A I E - e 0 189A 0 -2,-0.6 -13,-2.3 92,-0.2 2,-0.4 -0.739 14.4-176.3 -96.8 143.1 17.9 12.5 17.1 97 127 A L E -De 82 190A 0 92,-2.1 94,-2.3 -2,-0.3 2,-0.3 -0.989 5.9-165.5-132.9 139.1 16.2 14.5 14.3 98 128 A Y E +De 81 191A 12 -17,-2.6 -17,-2.4 -2,-0.4 2,-0.3 -0.893 13.9 156.5-126.6 158.7 17.9 17.2 12.1 99 129 A G E - e 0 192A 0 92,-1.1 94,-1.3 -2,-0.3 -19,-0.1 -0.943 38.3 -84.3-173.9 154.1 16.6 19.8 9.8 100 130 A H E - e 0 193A 5 -23,-0.6 8,-2.0 -2,-0.3 94,-0.1 -0.125 17.3-162.1 -68.7 163.0 17.5 23.2 8.2 101 131 A H + 0 0 62 92,-0.5 6,-0.1 6,-0.1 -1,-0.1 -0.564 29.9 149.6-141.6 65.0 17.0 26.7 9.6 102 132 A V - 0 0 42 4,-0.1 -1,-0.1 -2,-0.0 5,-0.1 0.527 64.0-111.0 -81.3 -5.3 17.3 29.0 6.6 103 133 A G S S+ 0 0 58 3,-0.2 -2,-0.1 -3,-0.1 -1,-0.0 0.877 86.5 106.2 82.9 41.4 14.9 31.6 8.1 104 134 A D S S- 0 0 59 2,-0.2 3,-0.1 0, 0.0 -3,-0.0 0.043 96.4 -93.3-136.7 26.8 11.8 31.5 6.0 105 135 A N S S+ 0 0 101 1,-0.2 2,-0.3 -53,-0.0 -4,-0.0 0.916 90.0 109.8 62.1 48.3 9.4 29.7 8.4 106 136 A T > - 0 0 11 -6,-0.1 3,-2.6 -54,-0.0 -1,-0.2 -0.865 68.9 -1.9-140.7 174.7 10.0 26.2 7.0 107 137 A X T 3 S- 0 0 2 -2,-0.3 3,-0.5 1,-0.3 -6,-0.1 -0.106 133.0 -12.5 41.7-121.8 11.7 23.0 8.1 108 138 A F T > S+ 0 0 0 -8,-2.0 3,-0.8 1,-0.2 4,-0.3 -0.024 99.6 110.7 -99.5 32.5 13.2 23.6 11.5 109 139 A D G X S+ 0 0 10 -3,-2.6 3,-1.5 1,-0.2 4,-0.4 0.885 71.6 66.2 -68.5 -35.4 12.9 27.4 11.6 110 140 A V G >> S+ 0 0 1 -3,-0.5 3,-0.7 1,-0.3 4,-0.7 0.652 80.8 77.9 -60.4 -17.3 10.2 27.0 14.3 111 141 A L G X4 S+ 0 0 0 -3,-0.8 3,-1.1 1,-0.2 -1,-0.3 0.867 85.7 61.4 -61.0 -34.9 12.8 25.6 16.8 112 142 A E G X4 S+ 0 0 95 -3,-1.5 3,-1.7 -4,-0.3 -1,-0.2 0.828 94.2 64.1 -59.3 -34.3 14.1 29.1 17.5 113 143 A D G X4 S+ 0 0 42 -3,-0.7 3,-2.0 -4,-0.4 7,-0.3 0.814 88.1 68.7 -60.4 -33.1 10.6 30.0 18.7 114 144 A Y G << S+ 0 0 0 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.471 80.4 77.0 -67.1 -1.5 11.0 27.6 21.6 115 145 A L G < S+ 0 0 40 -3,-1.7 2,-0.5 -4,-0.1 -1,-0.3 0.685 84.1 76.3 -80.0 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