==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-SEP-10 3ANI . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN GBS1889; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE; . AUTHOR Y.NAKAMICHI,Y.MARUYAMA,B.MIKAMI,W.HASHIMOTO,K.MURATA . 378 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15266.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 0.3 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 . 12 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 46.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 1 0 0 1 0 1 0 0 0 1 3 0 0 3 2 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 7 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A M 0 0 180 0, 0.0 2,-0.3 0, 0.0 181,-0.0 0.000 360.0 360.0 360.0 114.8 14.2 -8.7 -18.5 2 3 A K - 0 0 136 246,-0.0 2,-0.4 183,-0.0 187,-0.1 -0.996 360.0-125.7-156.0 143.7 14.2 -4.9 -19.2 3 4 A I - 0 0 16 -2,-0.3 3,-0.1 1,-0.1 182,-0.0 -0.798 35.2-111.6 -96.6 137.0 12.0 -2.1 -20.4 4 5 A K - 0 0 56 -2,-0.4 2,-0.2 1,-0.1 -1,-0.1 -0.207 42.0 -93.6 -61.1 154.1 13.0 0.0 -23.3 5 6 A P - 0 0 113 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.515 46.4-174.0 -75.3 137.2 13.8 3.7 -22.6 6 7 A V - 0 0 29 -2,-0.2 2,-0.6 189,-0.1 189,-0.2 -0.893 32.5 -98.5-124.2 159.2 11.0 6.2 -23.0 7 8 A K - 0 0 132 187,-3.5 2,-0.8 -2,-0.3 186,-0.0 -0.691 31.1-158.1 -75.6 118.4 10.8 9.9 -22.8 8 9 A V - 0 0 59 -2,-0.6 247,-0.1 250,-0.1 2,-0.1 -0.884 12.3-152.6 -96.6 101.1 9.5 11.0 -19.4 9 10 A E - 0 0 25 -2,-0.8 2,-0.2 246,-0.3 249,-0.1 -0.445 19.6-115.2 -66.1 144.6 8.1 14.5 -19.9 10 11 A S - 0 0 93 -2,-0.1 2,-0.5 1,-0.1 -1,-0.1 -0.519 41.7 -92.5 -73.7 153.8 8.1 16.7 -16.8 11 12 A I - 0 0 13 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.610 44.5-134.7 -73.0 119.3 4.6 17.6 -15.6 12 13 A E S S- 0 0 115 -2,-0.5 4,-0.1 1,-0.2 -1,-0.1 -0.598 75.7 -8.5 -81.3 135.8 3.8 20.9 -17.2 13 14 A N S > S- 0 0 109 -2,-0.3 3,-1.7 1,-0.1 -1,-0.2 0.915 71.8-174.0 42.1 64.0 2.2 23.7 -15.0 14 15 A P T >> S+ 0 0 46 0, 0.0 4,-2.5 0, 0.0 3,-2.5 0.761 72.1 75.1 -57.9 -28.1 1.8 21.4 -11.9 15 16 A K H 3> S+ 0 0 129 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.702 78.7 73.5 -59.9 -21.0 -0.1 24.2 -10.0 16 17 A R H <4 S+ 0 0 48 -3,-1.7 -1,-0.3 2,-0.2 -3,-0.1 0.550 114.3 25.6 -68.2 -9.3 -3.2 23.4 -12.2 17 18 A F H X4 S+ 0 0 0 -3,-2.5 3,-1.9 -4,-0.1 -2,-0.2 0.634 119.7 57.0-110.8 -46.9 -3.4 20.3 -10.1 18 19 A L H 3< S+ 0 0 52 -4,-2.5 -3,-0.2 1,-0.3 -2,-0.2 0.721 102.7 55.3 -62.6 -26.1 -1.7 21.4 -6.9 19 20 A N T 3< S+ 0 0 128 -4,-2.1 -1,-0.3 -5,-0.2 -3,-0.1 0.443 87.1 108.6 -87.4 -1.1 -4.0 24.4 -6.4 20 21 A S S < S- 0 0 33 -3,-1.9 2,-0.5 -5,-0.1 -3,-0.1 -0.306 76.5-110.4 -69.7 156.4 -7.1 22.2 -6.4 21 22 A R - 0 0 149 297,-0.1 301,-0.1 298,-0.1 -1,-0.1 -0.796 34.7-117.4 -87.2 127.7 -9.1 21.4 -3.4 22 23 A L - 0 0 54 -2,-0.5 2,-0.2 1,-0.1 293,-0.1 -0.381 35.0-102.6 -59.9 140.8 -8.8 17.8 -2.2 23 24 A L - 0 0 19 1,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.475 40.1-141.5 -66.4 135.4 -12.1 15.8 -2.4 24 25 A T > - 0 0 63 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.487 22.9-105.7 -95.8 169.3 -13.6 15.4 1.1 25 26 A K H > S+ 0 0 131 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.899 121.5 50.9 -57.4 -45.1 -15.4 12.4 2.6 26 27 A I H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.926 109.8 50.4 -61.0 -45.4 -18.8 14.2 2.2 27 28 A E H > S+ 0 0 42 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.888 115.0 41.7 -59.8 -42.7 -18.1 14.9 -1.5 28 29 A V H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.883 111.8 55.7 -74.9 -39.6 -17.2 11.3 -2.3 29 30 A E H X S+ 0 0 38 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.944 110.2 45.3 -52.8 -53.8 -20.0 9.9 -0.2 30 31 A E H X S+ 0 0 113 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.831 110.4 53.5 -63.9 -36.0 -22.6 11.9 -2.1 31 32 A A H X S+ 0 0 4 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.897 112.5 46.0 -64.1 -40.9 -21.0 11.0 -5.4 32 33 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.941 111.2 50.8 -64.0 -51.2 -21.3 7.3 -4.3 33 34 A E H X S+ 0 0 82 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.892 110.9 49.5 -54.8 -44.1 -24.9 7.7 -3.1 34 35 A K H X S+ 0 0 57 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.883 112.4 47.3 -63.0 -41.7 -25.9 9.3 -6.4 35 36 A A H X S+ 0 0 7 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.928 111.7 50.7 -63.2 -46.7 -24.3 6.5 -8.4 36 37 A L H X S+ 0 0 5 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.840 103.4 58.3 -64.6 -36.8 -25.9 3.8 -6.2 37 38 A K H X S+ 0 0 126 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.951 110.2 44.2 -53.3 -51.8 -29.4 5.4 -6.7 38 39 A Q H X S+ 0 0 3 -4,-1.5 4,-2.1 1,-0.2 298,-0.2 0.843 112.5 53.6 -61.0 -36.2 -28.9 4.9 -10.5 39 40 A L H X S+ 0 0 4 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.905 108.1 48.1 -66.6 -43.9 -27.5 1.4 -9.8 40 41 A Y H X S+ 0 0 58 -4,-2.9 4,-1.0 2,-0.2 -2,-0.2 0.850 111.9 51.0 -64.9 -34.9 -30.6 0.4 -7.8 41 42 A I H X S+ 0 0 46 -4,-1.9 4,-1.3 -5,-0.2 3,-0.3 0.893 110.4 48.7 -66.8 -40.6 -32.8 1.8 -10.5 42 43 A N H X S+ 0 0 4 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.680 98.9 67.9 -75.0 -19.1 -30.9 -0.2 -13.2 43 44 A I H X S+ 0 0 8 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.917 104.1 43.6 -65.1 -43.0 -31.2 -3.4 -11.1 44 45 A D H < S+ 0 0 125 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.894 115.2 51.7 -64.4 -40.3 -35.0 -3.5 -11.7 45 46 A Y H < S+ 0 0 87 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.893 120.3 29.8 -64.4 -44.6 -34.3 -2.6 -15.4 46 47 A F H >< S+ 0 0 7 -4,-2.8 3,-2.2 1,-0.2 2,-0.3 0.774 78.9 179.8 -89.7 -30.9 -31.7 -5.4 -16.1 47 48 A G T 3< S- 0 0 39 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.1 -0.478 77.0 -19.2 63.9-124.5 -32.9 -8.2 -13.7 48 49 A E T 3 S+ 0 0 127 -2,-0.3 -1,-0.3 2,-0.1 2,-0.1 0.389 127.3 85.9 -91.7 0.8 -30.5 -11.1 -14.2 49 50 A E S < S- 0 0 101 -3,-2.2 15,-0.2 1,-0.1 -3,-0.1 -0.244 73.5-115.3 -95.1-175.4 -29.4 -9.8 -17.6 50 51 A Y E -A 63 0A 4 13,-3.1 13,-3.0 -2,-0.1 2,-0.1 -0.799 17.2-108.5-124.7 157.6 -26.7 -7.2 -18.5 51 52 A P E -A 62 0A 2 0, 0.0 11,-0.2 0, 0.0 22,-0.1 -0.442 40.4-104.0 -75.0 159.7 -26.3 -3.8 -20.1 52 53 A T - 0 0 21 9,-1.3 306,-0.2 2,-0.2 11,-0.0 -0.488 40.2-101.5 -72.8 154.6 -24.9 -3.2 -23.6 53 54 A P S S+ 0 0 9 0, 0.0 305,-2.9 0, 0.0 306,-0.3 0.897 104.2 17.5 -43.7 -50.6 -21.2 -2.0 -23.7 54 55 A A B S-B 357 0B 10 303,-0.2 7,-0.5 304,-0.1 303,-0.3 -0.743 84.5-107.4-121.0 166.3 -22.4 1.6 -24.4 55 56 A T - 0 0 3 301,-2.6 2,-0.5 -2,-0.2 5,-0.3 -0.475 18.5-134.3 -86.9 162.6 -25.7 3.5 -24.1 56 57 A F B > S-C 59 0C 107 3,-3.7 3,-0.9 1,-0.2 299,-0.0 -0.982 94.5 -13.7-118.5 115.1 -28.0 4.7 -27.0 57 58 A N T 3 S- 0 0 137 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.902 133.0 -55.1 51.1 43.4 -29.0 8.3 -26.4 58 59 A N T 3 S+ 0 0 32 1,-0.2 2,-0.4 298,-0.1 -1,-0.2 0.648 120.6 107.6 66.6 20.9 -27.6 7.8 -22.9 59 60 A I B < -C 56 0C 54 -3,-0.9 -3,-3.7 278,-0.2 278,-0.2 -0.997 64.7-132.6-125.6 128.4 -29.8 4.8 -22.2 60 61 A Y - 0 0 2 276,-2.9 2,-0.3 -2,-0.4 -5,-0.2 -0.413 13.5-137.8 -71.1 152.7 -28.5 1.2 -22.0 61 62 A K - 0 0 117 -7,-0.5 -9,-1.3 -2,-0.1 2,-0.4 -0.737 25.4-109.0-100.7 161.8 -30.1 -1.7 -23.9 62 63 A V E +A 51 0A 56 -2,-0.3 2,-0.3 -11,-0.2 -16,-0.0 -0.754 44.9 162.2 -96.3 138.4 -30.5 -5.1 -22.2 63 64 A M E -A 50 0A 27 -13,-3.0 -13,-3.1 -2,-0.4 2,-0.1 -0.919 32.9-105.5-146.1 170.9 -28.5 -8.1 -23.3 64 65 A D > - 0 0 90 -2,-0.3 2,-1.8 -15,-0.2 3,-0.5 -0.186 56.1 -73.4 -89.2-174.7 -27.3 -11.6 -22.4 65 66 A N T 3 S+ 0 0 16 1,-0.2 -1,-0.1 -2,-0.1 43,-0.0 -0.517 97.7 102.1 -85.8 76.2 -23.8 -12.7 -21.2 66 67 A T T 3 + 0 0 54 -2,-1.8 -1,-0.2 44,-0.0 2,-0.0 0.537 56.1 76.4-137.7 -18.5 -22.1 -12.5 -24.6 67 68 A E S < S- 0 0 63 -3,-0.5 3,-0.1 1,-0.0 -15,-0.0 -0.109 82.0-109.9 -89.1-171.3 -20.0 -9.3 -24.9 68 69 A W S S+ 0 0 24 1,-0.1 3,-0.2 2,-0.1 -1,-0.0 0.454 110.7 58.7 -94.3 -3.6 -16.6 -8.4 -23.5 69 70 A T >> + 0 0 1 1,-0.1 3,-1.6 2,-0.1 4,-0.6 0.451 68.2 100.3-110.3 -6.2 -18.1 -5.9 -21.1 70 71 A N H >> S+ 0 0 1 1,-0.3 4,-1.3 2,-0.2 3,-0.8 0.802 76.5 62.4 -56.2 -35.4 -20.5 -8.0 -18.9 71 72 A G H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.767 93.4 64.3 -61.8 -28.2 -18.1 -8.2 -16.0 72 73 A F H <> S+ 0 0 0 -3,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.824 99.4 52.3 -67.8 -34.5 -18.1 -4.5 -15.5 73 74 A W H > - 0 0 50 -6,-0.2 3,-1.4 1,-0.2 4,-1.1 -0.584 30.3-152.1 -72.8 109.6 -26.6 -4.8 1.0 87 88 A K H 3> S+ 0 0 131 -2,-0.8 4,-2.4 1,-0.3 -1,-0.2 0.695 91.5 71.0 -54.6 -24.2 -27.2 -8.6 0.5 88 89 A K H 3> S+ 0 0 88 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.929 99.9 46.9 -56.3 -46.2 -29.5 -7.8 -2.4 89 90 A L H <> S+ 0 0 0 -3,-1.4 4,-2.6 1,-0.2 5,-0.2 0.901 112.4 48.6 -63.1 -43.1 -26.4 -6.7 -4.4 90 91 A K H X S+ 0 0 56 -4,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.817 110.9 52.5 -69.7 -30.4 -24.4 -9.8 -3.4 91 92 A N H X S+ 0 0 77 -4,-2.4 4,-1.1 -5,-0.2 -2,-0.2 0.957 114.4 39.5 -66.0 -53.3 -27.4 -12.0 -4.4 92 93 A I H >X S+ 0 0 23 -4,-2.4 4,-1.4 2,-0.2 3,-0.6 0.934 115.3 51.5 -64.0 -49.2 -27.8 -10.5 -7.9 93 94 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-0.3 0.876 107.2 53.7 -55.8 -41.5 -24.0 -10.3 -8.5 94 95 A H H 3X S+ 0 0 37 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.785 103.9 56.4 -65.4 -27.9 -23.6 -14.0 -7.5 95 96 A K H S+ 0 0 4 -4,-1.8 5,-1.9 1,-0.2 4,-0.5 0.893 109.7 43.2 -60.2 -45.5 -20.2 -19.2 -19.9 104 105 A I H <5S+ 0 0 8 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.785 110.7 56.3 -76.7 -27.7 -16.6 -20.5 -19.5 105 106 A N H <5S+ 0 0 63 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.819 118.2 33.4 -68.2 -33.3 -17.8 -24.2 -19.2 106 107 A N T <5S- 0 0 97 -4,-1.4 -2,-0.2 -5,-0.1 -1,-0.2 0.344 104.9-126.7-105.8 1.4 -19.5 -23.9 -22.6 107 108 A R T > 5 - 0 0 152 -4,-0.5 3,-0.6 1,-0.2 2,-0.5 0.848 37.9-176.3 52.9 44.0 -17.1 -21.5 -24.2 108 109 A I T 3 < - 0 0 70 -5,-1.9 -1,-0.2 1,-0.2 -2,-0.1 -0.604 64.2 -28.6 -77.9 119.1 -19.8 -19.0 -25.2 109 110 A A T 3 S+ 0 0 59 -2,-0.5 2,-0.5 1,-0.2 -1,-0.2 0.834 91.5 170.7 45.4 50.1 -18.5 -16.0 -27.3 110 111 A L < + 0 0 30 -3,-0.6 2,-0.4 -7,-0.1 -1,-0.2 -0.787 18.6 174.8-102.6 127.5 -15.0 -16.2 -25.7 111 112 A D > - 0 0 45 -2,-0.5 3,-2.4 1,-0.1 4,-0.4 -0.998 31.0-136.6-129.8 129.2 -12.0 -14.3 -26.8 112 113 A H T 3 S+ 0 0 25 -2,-0.4 3,-0.4 1,-0.3 4,-0.3 0.658 101.0 67.4 -63.2 -18.1 -8.7 -14.4 -24.8 113 114 A H T 3 S+ 0 0 49 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.552 109.1 39.0 -70.6 -8.6 -8.2 -10.6 -25.1 114 115 A D S <> S+ 0 0 34 -3,-2.4 4,-1.8 2,-0.1 -2,-0.2 0.429 82.2 96.9-125.7 -4.4 -11.2 -10.2 -22.9 115 116 A L H > S+ 0 0 2 -4,-0.4 4,-1.9 -3,-0.4 5,-0.3 0.824 85.1 53.9 -64.3 -34.8 -11.0 -12.9 -20.2 116 117 A G H > S+ 0 0 0 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.946 110.9 44.9 -61.3 -51.3 -9.4 -10.5 -17.7 117 118 A F H 4 S+ 0 0 0 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.785 115.9 47.6 -64.2 -32.5 -12.1 -7.9 -18.0 118 119 A L H < S+ 0 0 2 -4,-1.8 5,-0.2 -47,-0.1 -1,-0.2 0.870 121.8 28.3 -78.8 -37.5 -14.9 -10.5 -17.8 119 120 A Y H X>S+ 0 0 0 -4,-1.9 5,-2.7 -5,-0.2 4,-1.1 0.668 108.5 63.7-107.0 -18.7 -13.9 -12.6 -14.8 120 121 A T T <>S+ 0 0 2 -4,-1.9 5,-2.1 -5,-0.3 -3,-0.1 0.957 109.0 36.4 -72.6 -53.7 -11.9 -10.3 -12.5 121 122 A P T 45S+ 0 0 0 0, 0.0 -43,-0.3 0, 0.0 -1,-0.2 0.615 130.5 34.9 -80.0 -6.9 -14.5 -7.7 -11.5 122 123 A S T >5S+ 0 0 0 -4,-0.1 4,-1.2 3,-0.1 -2,-0.2 0.831 133.1 13.4-101.1 -64.3 -17.2 -10.4 -11.5 123 124 A C H X5S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 -3,-0.2 0.920 129.4 44.0 -90.7 -49.2 -15.8 -13.7 -10.3 124 125 A T H >S+ 0 0 0 -4,-1.2 4,-2.9 1,-0.2 5,-0.8 0.903 109.8 55.3 -62.8 -41.8 -16.6 -12.3 -5.3 127 128 A Y H X5S+ 0 0 60 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.846 106.9 50.9 -59.8 -37.9 -13.8 -14.6 -4.1 128 129 A R H <5S+ 0 0 53 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.902 115.3 44.1 -60.3 -43.0 -12.0 -11.6 -2.6 129 130 A I H <5S- 0 0 49 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.1 0.948 140.7 -7.8 -75.3 -52.5 -15.2 -10.6 -0.8 130 131 A N H <5S- 0 0 71 -4,-2.9 -3,-0.2 2,-0.1 -2,-0.1 0.368 87.1-114.6-132.2 3.0 -16.5 -13.9 0.6 131 132 A G << - 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