==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JUL-10 3NV7 . COMPND 2 MOLECULE: PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR C.H.CHEN,C.S.CHENG,H.S.YIN . 155 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11883.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 1 0.6 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 . 10 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 1 0 1 0 1 1 1 0 0 0 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 . 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 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 3 A K 0 0 152 0, 0.0 28,-1.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 118.8 -2.3 -28.8 -5.7 2 4 A V E -a 29 0A 20 78,-0.2 81,-0.5 26,-0.2 80,-0.5 -0.992 360.0-171.5-124.0 135.5 -2.0 -26.5 -8.7 3 5 A G E -a 30 0A 0 26,-2.0 28,-3.2 -2,-0.4 2,-0.4 -0.934 11.0-146.5-120.7 151.2 -1.3 -22.8 -8.4 4 6 A I E -ab 31 84A 0 79,-1.6 81,-2.4 -2,-0.3 28,-0.2 -0.988 9.5-169.1-122.5 127.4 -1.5 -20.3 -11.2 5 7 A Y E -a 32 0A 11 26,-2.8 28,-1.8 -2,-0.4 2,-0.2 -0.914 19.4-168.3-111.1 97.2 0.7 -17.3 -11.6 6 8 A P E +a 33 0A 20 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.562 19.8 132.0 -89.2 154.6 -0.7 -15.1 -14.4 7 9 A G E -a 34 0A 21 26,-2.2 28,-2.8 -2,-0.2 -2,-0.0 -0.971 59.3-112.9 179.8 171.9 1.0 -12.1 -16.1 8 10 A T - 0 0 17 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.790 37.9-162.2 -88.7 -36.2 2.0 -10.4 -19.2 9 11 A F > - 0 0 5 2,-0.2 3,-0.7 1,-0.2 44,-0.1 0.925 10.0-176.2 52.7 57.3 5.7 -10.9 -18.7 10 12 A D T 3 S- 0 0 52 1,-0.6 33,-0.2 33,-0.0 -1,-0.2 -0.602 86.8 -11.1-117.4 72.5 6.8 -8.2 -21.2 11 13 A P T 3 S- 0 0 56 0, 0.0 -1,-0.6 0, 0.0 -2,-0.2 0.601 94.0-114.2 -92.2 174.8 9.6 -9.1 -20.5 12 14 A V < - 0 0 31 -3,-0.7 2,-0.2 37,-0.1 0, 0.0 -0.417 40.2-163.5 -59.4 139.2 10.1 -11.5 -17.6 13 15 A T > - 0 0 68 -2,-0.1 4,-2.1 1,-0.0 5,-0.2 -0.697 36.6 -98.7-121.5 172.5 12.1 -9.8 -14.8 14 16 A N H > S+ 0 0 147 -2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.809 122.9 60.1 -62.1 -26.9 14.0 -10.9 -11.7 15 17 A G H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.934 105.7 46.7 -66.5 -43.7 10.9 -9.9 -9.7 16 18 A H H > S+ 0 0 48 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.905 111.3 50.8 -63.0 -43.5 8.8 -12.4 -11.6 17 19 A I H X S+ 0 0 39 -4,-2.1 4,-3.3 1,-0.2 -1,-0.2 0.906 108.5 52.8 -64.1 -38.7 11.5 -15.1 -11.2 18 20 A D H X S+ 0 0 70 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.934 111.1 46.0 -59.8 -47.4 11.6 -14.5 -7.4 19 21 A I H X S+ 0 0 31 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.907 114.2 48.6 -63.1 -41.0 7.8 -14.9 -7.2 20 22 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.940 112.4 49.2 -62.5 -45.8 8.0 -18.1 -9.3 21 23 A H H X S+ 0 0 84 -4,-3.3 4,-0.8 -5,-0.2 -2,-0.2 0.962 117.2 40.4 -56.1 -52.1 10.8 -19.4 -7.2 22 24 A R H < S+ 0 0 102 -4,-2.8 3,-0.5 1,-0.2 -2,-0.2 0.899 119.1 43.5 -69.7 -43.3 8.9 -18.7 -3.9 23 25 A S H >X S+ 0 0 8 -4,-3.0 3,-1.8 -5,-0.2 4,-0.6 0.815 104.9 62.7 -75.7 -27.6 5.4 -19.8 -5.0 24 26 A S H 3< S+ 0 0 5 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.732 93.7 65.5 -69.5 -19.9 6.6 -23.0 -6.8 25 27 A E T 3< S+ 0 0 140 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.627 102.2 50.8 -67.7 -16.3 7.8 -24.2 -3.4 26 28 A L T <4 S+ 0 0 84 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.2 0.609 103.3 54.2-102.2 -20.8 4.2 -24.3 -2.4 27 29 A F S < S- 0 0 20 -4,-0.6 3,-0.2 -3,-0.3 -25,-0.1 -0.882 72.3-129.0-117.9 152.2 2.3 -26.3 -5.0 28 30 A E S S+ 0 0 161 -2,-0.3 2,-0.4 1,-0.3 -26,-0.2 0.889 106.1 14.8 -57.5 -38.1 2.8 -29.7 -6.6 29 31 A K E -a 2 0A 76 -28,-1.6 -26,-2.0 -3,-0.1 2,-0.5 -0.992 68.4-159.2-142.7 132.1 2.6 -27.8 -9.9 30 32 A L E -ac 3 63A 0 32,-2.5 34,-2.3 -2,-0.4 2,-0.6 -0.953 9.9-157.4-108.1 121.3 2.9 -24.1 -10.6 31 33 A I E -ac 4 64A 0 -28,-3.2 -26,-2.8 -2,-0.5 2,-0.7 -0.893 4.1-154.8 -97.3 120.5 1.4 -23.0 -13.9 32 34 A V E -ac 5 65A 0 32,-2.4 34,-2.6 -2,-0.6 2,-0.7 -0.888 15.2-156.2 -94.3 111.4 2.9 -19.7 -15.2 33 35 A A E -ac 6 66A 0 -28,-1.8 -26,-2.2 -2,-0.7 2,-0.8 -0.838 4.6-157.8-102.0 114.6 0.1 -18.2 -17.4 34 36 A V E -ac 7 67A 0 32,-2.9 34,-2.4 -2,-0.7 2,-0.2 -0.794 13.6-149.0 -96.7 108.5 1.3 -15.8 -20.0 35 37 A A E - c 0 68A 18 -28,-2.8 34,-0.2 -2,-0.8 35,-0.1 -0.527 14.3-134.8 -78.8 137.4 -1.6 -13.5 -21.1 36 38 A H - 0 0 57 32,-2.0 -1,-0.1 -2,-0.2 33,-0.1 0.936 28.7-172.3 -53.1 -47.3 -1.7 -12.2 -24.6 37 39 A S > + 0 0 24 32,-0.4 3,-1.2 1,-0.1 4,-0.4 0.875 13.0 169.9 53.4 43.9 -2.6 -8.7 -23.3 38 40 A S G > S+ 0 0 58 1,-0.3 3,-1.9 31,-0.2 -1,-0.1 0.876 73.2 60.8 -51.5 -39.0 -3.3 -7.3 -26.8 39 41 A A G 3 S+ 0 0 94 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.824 97.9 56.0 -58.0 -37.3 -4.8 -4.2 -25.2 40 42 A K G < S- 0 0 140 -3,-1.2 -1,-0.3 1,-0.0 -2,-0.2 0.487 103.0-134.8 -71.3 -5.0 -1.4 -3.4 -23.4 41 43 A N < - 0 0 138 -3,-1.9 -3,-0.1 -4,-0.4 -2,-0.1 0.936 29.5-142.8 45.5 61.2 0.3 -3.4 -26.9 42 44 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.099 12.1-133.9 -60.6 147.7 3.2 -5.5 -25.5 43 45 A M S S+ 0 0 151 -33,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.893 92.3 46.3 -63.8 -41.3 6.8 -4.9 -26.7 44 46 A F S S- 0 0 58 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.792 94.8-106.5-106.9 146.8 7.5 -8.6 -27.2 45 47 A S > - 0 0 68 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.187 30.7-109.8 -64.0 160.3 5.2 -11.0 -29.0 46 48 A L H > S+ 0 0 36 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.920 120.7 51.3 -56.3 -44.6 3.2 -13.6 -27.1 47 49 A D H > S+ 0 0 95 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.921 111.3 46.8 -60.3 -46.2 5.4 -16.3 -28.5 48 50 A E H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.907 112.5 49.6 -61.3 -42.1 8.6 -14.5 -27.5 49 51 A R H X S+ 0 0 3 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.937 113.3 46.5 -66.4 -44.9 7.3 -13.8 -24.0 50 52 A L H X S+ 0 0 27 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.953 114.5 46.7 -58.6 -52.7 6.3 -17.5 -23.5 51 53 A K H X S+ 0 0 111 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.873 112.8 50.6 -59.4 -36.7 9.6 -18.8 -24.8 52 54 A M H X S+ 0 0 50 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.936 112.5 44.2 -69.7 -46.2 11.6 -16.3 -22.7 53 55 A I H X S+ 0 0 0 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.879 113.1 53.3 -69.0 -31.0 9.8 -17.2 -19.5 54 56 A Q H >X S+ 0 0 71 -4,-2.4 4,-0.9 -5,-0.2 3,-0.8 0.947 110.4 47.4 -61.6 -46.2 10.1 -20.9 -20.4 55 57 A L H 3< S+ 0 0 118 -4,-2.4 3,-0.5 1,-0.3 -2,-0.2 0.888 113.6 47.5 -63.6 -38.8 13.9 -20.5 -20.9 56 58 A A H 3< S+ 0 0 46 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.565 118.1 41.4 -80.5 -12.2 14.2 -18.6 -17.6 57 59 A T H X< S+ 0 0 5 -4,-0.9 3,-2.2 -3,-0.8 6,-0.2 0.367 76.2 105.5-114.8 0.9 12.2 -21.2 -15.6 58 60 A K T 3< S+ 0 0 145 -4,-0.9 -2,-0.1 -3,-0.5 -1,-0.1 0.789 76.0 63.2 -62.4 -21.4 13.4 -24.5 -17.0 59 61 A S T 3 S+ 0 0 80 -4,-0.2 2,-1.0 -3,-0.1 -1,-0.3 0.702 85.8 79.4 -70.1 -21.5 15.4 -25.0 -13.7 60 62 A F S X S- 0 0 34 -3,-2.2 3,-1.7 1,-0.2 -1,-0.1 -0.792 70.4-165.2 -88.7 103.8 12.1 -25.1 -11.7 61 63 A K T 3 S+ 0 0 177 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.0 0.758 81.8 50.2 -70.8 -24.5 11.0 -28.6 -12.4 62 64 A N T 3 S+ 0 0 48 -3,-0.1 -32,-2.5 -35,-0.1 2,-0.4 0.192 90.9 99.6 -96.5 13.1 7.4 -28.3 -11.2 63 65 A V E < -c 30 0A 20 -3,-1.7 2,-0.4 -6,-0.2 -32,-0.2 -0.879 46.7-177.9-101.7 132.3 6.8 -25.1 -13.3 64 66 A E E -c 31 0A 85 -34,-2.3 -32,-2.4 -2,-0.4 2,-0.4 -0.998 14.1-150.0-126.2 127.3 5.0 -25.2 -16.6 65 67 A C E +c 32 0A 10 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.822 18.6 178.4 -99.2 137.2 4.5 -22.0 -18.7 66 68 A V E -c 33 0A 20 -34,-2.6 -32,-2.9 -2,-0.4 2,-0.3 -0.998 22.5-133.7-138.6 139.0 1.4 -21.7 -20.9 67 69 A A E +c 34 0A 44 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.668 28.4 175.8 -89.5 147.3 0.1 -18.9 -23.1 68 70 A F E -c 35 0A 26 -34,-2.4 -32,-2.0 -2,-0.3 3,-0.1 -0.984 32.7-140.9-148.7 161.3 -3.5 -17.9 -23.0 69 71 A E - 0 0 130 1,-0.4 -32,-0.4 -2,-0.3 2,-0.3 0.815 67.8 -66.8 -92.5 -33.4 -5.8 -15.3 -24.6 70 72 A G S S+ 0 0 38 1,-0.1 -1,-0.4 -34,-0.1 5,-0.0 -0.971 87.1 101.7 166.3-169.6 -7.9 -14.4 -21.6 71 73 A L >> - 0 0 132 -2,-0.3 4,-2.2 -3,-0.1 3,-0.5 0.950 41.5-178.4 60.9 56.7 -10.6 -15.7 -19.3 72 74 A L H 3> S+ 0 0 51 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.858 77.2 56.3 -51.3 -42.0 -8.3 -16.4 -16.4 73 75 A A H 3> S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.892 109.7 46.3 -65.5 -36.4 -11.0 -17.8 -14.2 74 76 A Y H <> S+ 0 0 162 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.835 108.9 54.3 -72.4 -29.0 -11.9 -20.4 -16.8 75 77 A L H X S+ 0 0 28 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.947 108.2 50.7 -64.6 -44.9 -8.2 -21.2 -17.3 76 78 A A H <>S+ 0 0 12 -4,-3.0 5,-2.8 1,-0.2 4,-0.4 0.916 108.1 53.0 -55.4 -45.7 -8.2 -21.8 -13.5 77 79 A K H ><5S+ 0 0 149 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.907 104.5 54.9 -55.9 -46.5 -11.2 -24.1 -14.0 78 80 A E H 3<5S+ 0 0 142 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.865 112.3 43.6 -57.2 -35.0 -9.4 -26.1 -16.7 79 81 A Y T 3<5S- 0 0 62 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.427 109.8-120.6 -89.9 2.7 -6.5 -26.8 -14.2 80 82 A H T < 5 + 0 0 170 -3,-1.6 2,-0.5 -4,-0.4 -78,-0.2 0.900 63.2 155.8 53.6 43.2 -8.8 -27.6 -11.2 81 83 A C < + 0 0 5 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.866 31.4 169.7-108.7 130.4 -7.0 -24.6 -9.6 82 84 A K + 0 0 205 -2,-0.5 2,-0.4 -80,-0.5 -1,-0.1 0.261 63.0 72.6-116.0 9.6 -8.6 -22.6 -6.8 83 85 A V - 0 0 51 -81,-0.5 -79,-1.6 -7,-0.1 2,-0.3 -0.981 56.2-171.8-134.6 120.4 -5.4 -20.6 -5.9 84 86 A L B -b 4 0A 87 -2,-0.4 2,-0.4 -81,-0.2 -79,-0.2 -0.759 14.5-139.9-106.9 159.3 -3.7 -17.8 -7.8 85 87 A V + 0 0 19 -81,-2.4 2,-0.3 -2,-0.3 -65,-0.0 -0.927 22.5 173.4-119.8 137.7 -0.4 -16.1 -7.1 86 88 A R - 0 0 218 -2,-0.4 2,-0.4 -81,-0.1 -79,-0.1 -0.999 26.7-130.3-143.8 145.8 0.3 -12.4 -7.4 87 89 A G - 0 0 28 -2,-0.3 2,-0.2 2,-0.0 -71,-0.0 -0.764 28.8-124.0 -90.1 140.1 3.2 -10.1 -6.5 88 90 A L - 0 0 92 -2,-0.4 -1,-0.0 1,-0.1 0, 0.0 -0.589 10.0-157.7 -77.2 143.7 2.5 -6.9 -4.5 89 91 A R S S+ 0 0 238 -2,-0.2 2,-0.4 2,-0.0 -1,-0.1 0.010 75.9 75.6-103.4 22.4 3.5 -3.6 -6.0 90 92 A V - 0 0 89 2,-0.0 2,-0.6 0, 0.0 -2,-0.1 -0.980 69.1-148.7-129.6 141.6 3.4 -2.1 -2.5 91 93 A V + 0 0 117 -2,-0.4 2,-0.2 0, 0.0 3,-0.1 -0.973 38.8 138.5-109.2 129.5 5.9 -2.5 0.2 92 94 A S + 0 0 62 -2,-0.6 5,-0.1 1,-0.1 -2,-0.0 -0.785 34.8 68.0-145.2-174.7 4.3 -2.4 3.6 93 95 A D > + 0 0 72 -2,-0.2 4,-2.6 3,-0.1 5,-0.2 0.875 55.3 167.9 64.1 43.1 4.6 -4.2 7.0 94 96 A F H > + 0 0 140 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.856 67.5 49.6 -63.7 -45.6 8.1 -2.8 7.6 95 97 A E H > S+ 0 0 177 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 114.7 46.5 -59.4 -45.4 8.5 -3.7 11.3 96 98 A Y H > S+ 0 0 86 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.920 113.1 48.4 -60.0 -46.3 7.4 -7.3 10.6 97 99 A E H X S+ 0 0 80 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.854 108.7 54.6 -68.5 -32.4 9.6 -7.6 7.6 98 100 A L H X S+ 0 0 106 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.938 110.1 46.2 -62.8 -46.1 12.6 -6.2 9.6 99 101 A Q H X S+ 0 0 50 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.847 110.6 53.8 -64.5 -35.1 12.0 -8.9 12.2 100 102 A M H X S+ 0 0 39 -4,-2.1 4,-2.6 2,-0.2 11,-0.2 0.891 105.3 53.9 -67.4 -39.6 11.7 -11.6 9.5 101 103 A G H < S+ 0 0 45 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.945 107.3 49.9 -56.9 -52.6 15.1 -10.6 8.0 102 104 A Y H >X>S+ 0 0 156 -4,-1.7 4,-1.6 1,-0.2 3,-1.0 0.935 113.9 45.8 -52.7 -52.8 16.9 -11.0 11.3 103 105 A A H 3X5S+ 0 0 9 -4,-1.9 4,-1.2 1,-0.2 2,-0.6 0.913 98.9 73.5 -50.5 -48.1 15.4 -14.4 11.7 104 106 A N H 3<5S+ 0 0 46 -4,-2.6 6,-0.6 1,-0.2 -1,-0.2 0.219 114.0 16.5 -67.1 16.0 16.2 -15.4 8.1 105 107 A K H <45S+ 0 0 172 -3,-1.0 -1,-0.2 -2,-0.6 -2,-0.2 0.412 136.9 26.5-150.5 -28.0 20.0 -15.8 8.7 106 108 A S H <5S+ 0 0 95 -4,-1.6 -3,-0.2 -3,-0.1 -2,-0.1 0.669 123.7 36.1-113.6 -29.6 20.8 -16.0 12.5 107 109 A L S < - 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