==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE,LYASE 06-JAN-00 1DRY . COMPND 2 MOLECULE: CLAVAMINATE SYNTHASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CLAVULIGERUS; . AUTHOR Z.H.ZHANG,J.REN,D.K.STAMMERS,J.E.BALDWIN,K.HARLOS,C.J.SCHOFI . 316 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12883.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 17.1 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 . 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 . 19 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 20.3 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+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 0 1 0 1 0 0 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 3 3 3 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 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 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 T 0 0 65 0, 0.0 62,-3.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 138.5 -14.4 -10.4 6.2 2 3 A S E -a 63 0A 83 60,-0.2 2,-0.4 261,-0.1 62,-0.2 -0.873 360.0-166.3-123.4 153.1 -16.8 -8.6 8.6 3 4 A V E -a 64 0A 30 60,-2.2 62,-2.8 -2,-0.3 2,-0.7 -0.973 18.9-140.0-138.0 120.5 -17.9 -9.0 12.2 4 5 A D E -a 65 0A 114 -2,-0.4 3,-0.3 60,-0.2 62,-0.2 -0.723 21.2-179.8 -81.8 114.2 -20.9 -7.2 13.6 5 6 A C > + 0 0 0 60,-3.4 3,-1.8 -2,-0.7 4,-0.2 0.306 45.5 112.9 -99.2 9.2 -19.8 -6.2 17.1 6 7 A T G > S+ 0 0 90 59,-0.3 3,-1.9 1,-0.3 -1,-0.2 0.873 74.0 54.8 -49.2 -45.3 -23.0 -4.4 18.1 7 8 A A G 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.3 4,-0.3 0.708 102.8 58.5 -64.3 -20.6 -24.0 -7.0 20.7 8 9 A Y G <> S+ 0 0 46 -3,-1.8 4,-2.8 1,-0.2 5,-0.3 0.372 73.4 108.3 -89.2 3.1 -20.6 -6.6 22.4 9 10 A G H <> S+ 0 0 8 -3,-1.9 4,-2.7 -4,-0.2 5,-0.2 0.896 79.2 42.9 -49.7 -56.3 -21.1 -2.8 23.1 10 11 A P H > S+ 0 0 105 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.927 117.2 46.8 -59.4 -45.1 -21.6 -3.0 26.8 11 12 A E H > S+ 0 0 108 -4,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.863 114.2 47.8 -64.4 -39.7 -18.8 -5.5 27.4 12 13 A L H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.867 109.0 52.4 -71.3 -35.5 -16.4 -3.6 25.2 13 14 A R H X S+ 0 0 126 -4,-2.7 4,-1.8 -5,-0.3 -2,-0.2 0.889 110.0 51.2 -66.9 -35.9 -17.2 -0.3 26.9 14 15 A A H X S+ 0 0 58 -4,-1.9 4,-0.7 -5,-0.2 -2,-0.2 0.945 110.1 47.7 -62.8 -46.5 -16.5 -2.0 30.2 15 16 A L H >< S+ 0 0 7 -4,-2.2 3,-1.2 1,-0.2 4,-0.4 0.911 109.5 53.8 -62.6 -38.2 -13.1 -3.3 28.9 16 17 A A H >< S+ 0 0 13 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.885 102.7 59.7 -61.5 -37.1 -12.2 0.2 27.6 17 18 A A H 3< S+ 0 0 83 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.687 93.7 64.3 -65.2 -18.4 -13.0 1.5 31.1 18 19 A R T << S+ 0 0 145 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.701 88.7 92.8 -75.8 -19.1 -10.2 -0.7 32.6 19 20 A L S < S- 0 0 7 -3,-1.5 11,-0.1 -4,-0.4 71,-0.1 -0.493 89.9 -94.5 -85.2 151.5 -7.6 1.2 30.7 20 21 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.277 33.2-136.9 -55.5 140.1 -5.5 4.2 31.8 21 22 A R S S+ 0 0 200 1,-0.2 69,-2.8 68,-0.1 -2,-0.0 0.571 94.3 50.1 -82.1 -9.5 -7.3 7.4 30.6 22 23 A T S >> S+ 0 0 56 67,-0.2 3,-1.3 1,-0.1 4,-0.6 -0.734 71.3 179.2-124.7 81.3 -4.2 9.3 29.3 23 24 A P G >4 S+ 0 0 1 0, 0.0 3,-1.1 0, 0.0 7,-0.3 0.861 72.3 51.6 -52.5 -44.1 -2.5 6.7 27.1 24 25 A R G >4 S+ 0 0 38 64,-0.4 3,-0.6 62,-0.3 63,-0.1 0.693 93.4 72.8 -72.6 -17.7 0.4 8.5 25.8 25 26 A A G <4 S+ 0 0 60 -3,-1.3 -1,-0.2 61,-0.4 2,-0.1 0.776 125.8 4.0 -67.3 -26.9 1.6 9.6 29.3 26 27 A D G S+ 0 0 32 -3,-0.6 4,-2.6 1,-0.2 5,-0.2 0.853 76.3 55.9 -67.2 -32.8 2.1 4.1 26.7 28 29 A Y H > S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.937 111.3 44.3 -65.3 -42.5 3.8 0.9 27.8 29 30 A A H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.879 113.1 52.1 -67.4 -40.5 1.6 0.6 30.9 30 31 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 -7,-0.3 -2,-0.2 0.951 112.2 44.2 -59.6 -45.8 -1.5 1.5 28.8 31 32 A L H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.818 111.3 54.3 -73.2 -25.9 -0.7 -1.3 26.2 32 33 A D H X S+ 0 0 98 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.942 109.2 48.2 -69.8 -43.3 0.1 -3.7 29.0 33 34 A A H X S+ 0 0 25 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.912 111.1 51.9 -59.1 -43.6 -3.4 -3.0 30.5 34 35 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.887 107.3 52.3 -62.3 -36.5 -4.9 -3.5 27.1 35 36 A H H X S+ 0 0 85 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.945 110.3 47.0 -66.1 -44.8 -3.2 -6.8 26.7 36 37 A T H >< S+ 0 0 85 -4,-2.3 3,-1.0 1,-0.2 4,-0.3 0.941 114.7 47.5 -62.2 -43.4 -4.6 -8.1 30.0 37 38 A A H >< S+ 0 0 1 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.800 100.4 66.5 -66.0 -31.0 -8.0 -6.8 29.1 38 39 A A H >< S+ 0 0 2 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.739 87.3 68.0 -64.0 -24.0 -7.8 -8.4 25.6 39 40 A A T << S+ 0 0 76 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.726 99.9 53.3 -65.9 -18.7 -7.9 -11.8 27.2 40 41 A S T < S+ 0 0 62 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.207 74.7 133.1-101.7 13.9 -11.5 -10.9 28.2 41 42 A L S < S- 0 0 8 -3,-1.4 5,-0.1 1,-0.1 -3,-0.0 -0.383 77.0 -81.8 -58.8 144.8 -12.8 -10.0 24.8 42 43 A P >> - 0 0 10 0, 0.0 4,-2.5 0, 0.0 3,-0.6 -0.228 47.8-114.4 -49.9 137.3 -16.2 -11.7 24.2 43 44 A G H 3> S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.810 111.7 48.3 -45.7 -48.8 -15.5 -15.3 23.0 44 45 A A H 3> S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.872 113.7 48.5 -64.9 -37.1 -16.8 -15.1 19.5 45 46 A L H <> S+ 0 0 0 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.924 111.6 49.5 -67.6 -45.0 -14.8 -11.8 18.9 46 47 A A H X S+ 0 0 8 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.914 110.1 50.8 -61.1 -44.8 -11.6 -13.3 20.3 47 48 A T H X S+ 0 0 88 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.930 110.0 50.0 -60.7 -43.7 -12.0 -16.4 18.2 48 49 A A H X S+ 0 0 28 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.905 112.7 46.7 -59.8 -42.8 -12.5 -14.3 15.0 49 50 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.928 113.5 47.8 -66.5 -47.2 -9.4 -12.2 15.7 50 51 A D H X S+ 0 0 64 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.875 112.1 49.7 -62.8 -37.7 -7.2 -15.2 16.5 51 52 A T H X S+ 0 0 63 -4,-2.7 4,-2.9 -5,-0.2 5,-0.5 0.939 113.2 45.9 -65.6 -47.7 -8.4 -17.0 13.4 52 53 A F H X S+ 0 0 8 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.908 112.2 52.8 -60.7 -39.0 -7.6 -14.0 11.2 53 54 A N H < S+ 0 0 32 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.930 117.3 36.6 -62.6 -42.1 -4.3 -13.6 13.0 54 55 A A H < S+ 0 0 69 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.873 135.6 16.8 -80.5 -33.9 -3.2 -17.1 12.3 55 56 A E H < S- 0 0 126 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.514 83.5-149.1-118.0 -13.3 -4.7 -17.7 8.8 56 57 A G < - 0 0 8 -4,-2.3 2,-0.3 -5,-0.5 -1,-0.3 -0.352 31.1 -99.8 65.7-157.8 -5.5 -14.3 7.3 57 58 A S > - 0 0 18 1,-0.1 3,-0.6 209,-0.0 120,-0.2 -0.952 21.4-101.8-149.7 170.6 -8.5 -14.5 5.0 58 59 A E T 3 S+ 0 0 122 -2,-0.3 120,-0.3 1,-0.2 119,-0.2 0.882 122.9 43.8 -64.2 -35.7 -9.1 -14.7 1.3 59 60 A D T 3 S- 0 0 24 2,-0.2 -1,-0.2 118,-0.1 194,-0.1 0.440 106.5-127.8 -90.8 -2.3 -10.0 -11.0 1.1 60 61 A G S < S+ 0 0 0 -3,-0.6 206,-2.5 1,-0.1 2,-0.3 0.572 72.0 74.8 75.1 11.3 -7.1 -9.9 3.3 61 62 A H E - B 0 265A 9 204,-0.2 2,-0.5 112,-0.1 204,-0.2 -0.995 57.7-147.7-155.8 153.3 -8.9 -7.8 5.9 62 63 A L E - B 0 264A 4 202,-2.3 202,-3.0 -2,-0.3 2,-0.6 -0.987 17.2-161.3-125.6 117.3 -11.1 -8.1 9.0 63 64 A L E -aB 2 263A 6 -62,-3.4 -60,-2.2 -2,-0.5 2,-0.6 -0.911 2.0-161.0-100.7 116.2 -13.6 -5.3 9.4 64 65 A L E -aB 3 262A 0 198,-3.4 198,-2.4 -2,-0.6 2,-0.4 -0.871 18.9-168.8 -95.2 119.9 -15.1 -5.0 13.0 65 66 A R E +a 4 0A 79 -62,-2.8 -60,-3.4 -2,-0.6 -59,-0.3 -0.867 56.0 23.2-114.3 146.1 -18.3 -2.9 12.7 66 67 A G S S+ 0 0 28 -2,-0.4 -1,-0.2 193,-0.2 195,-0.2 0.765 72.6 157.6 80.8 20.1 -20.4 -1.4 15.3 67 68 A L - 0 0 5 193,-2.5 -1,-0.2 -3,-0.3 -61,-0.1 -0.410 55.6 -81.5 -68.8 159.3 -17.8 -1.1 18.0 68 69 A P + 0 0 5 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.308 57.8 166.8 -64.4 146.3 -18.6 1.5 20.6 69 70 A V - 0 0 25 190,-0.1 3,-0.1 -3,-0.1 92,-0.1 -0.966 39.4 -94.2-154.1 148.7 -17.6 5.1 19.7 70 71 A E - 0 0 37 -2,-0.3 2,-0.1 1,-0.1 5,-0.1 -0.278 47.3 -95.7 -60.4 154.6 -18.6 8.4 21.3 71 72 A A >> - 0 0 62 1,-0.1 3,-1.7 3,-0.0 4,-0.7 -0.447 42.8-110.5 -60.8 151.7 -21.5 10.3 20.0 72 73 A D G >4 S+ 0 0 68 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.866 117.8 56.1 -58.3 -35.7 -20.1 12.9 17.5 73 74 A A G 34 S+ 0 0 90 1,-0.3 -1,-0.3 4,-0.0 -2,-0.0 0.725 105.4 53.5 -71.9 -16.0 -20.9 15.8 19.8 74 75 A D G <4 S+ 0 0 126 -3,-1.7 -1,-0.3 2,-0.0 -2,-0.2 0.516 90.8 90.7 -94.9 -5.5 -18.8 14.2 22.6 75 76 A L S << S- 0 0 13 -3,-1.1 3,-0.1 -4,-0.7 16,-0.0 -0.524 85.8-104.7 -84.0 157.3 -15.7 13.7 20.4 76 77 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.190 52.2 -76.2 -68.4 172.5 -13.0 16.5 20.3 77 78 A T - 0 0 103 1,-0.1 207,-0.2 207,-0.0 3,-0.1 -0.443 66.2 -87.6 -63.2 143.9 -12.8 18.7 17.3 78 79 A T - 0 0 12 205,-2.5 -1,-0.1 -3,-0.1 207,-0.1 -0.378 58.8-100.6 -56.6 132.2 -11.1 16.8 14.5 79 80 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 204,-0.1 -0.175 28.9-164.2 -56.7 151.4 -7.4 17.4 15.0 80 81 A S + 0 0 104 1,-0.1 2,-0.3 -3,-0.1 -2,-0.1 0.299 69.1 28.4-118.1 2.2 -5.6 20.0 12.9 81 82 A S S S- 0 0 71 44,-0.0 -1,-0.1 2,-0.0 40,-0.1 -0.983 75.3 -95.7-159.7 166.1 -2.1 18.9 13.6 82 83 A T S S+ 0 0 48 -2,-0.3 2,-0.2 2,-0.1 33,-0.1 -0.954 82.3 44.3-136.7 149.9 0.3 16.0 14.6 83 84 A P S S- 0 0 59 0, 0.0 37,-0.1 0, 0.0 3,-0.1 0.602 84.3-124.1 -78.7 171.0 1.6 14.7 16.8 84 85 A A - 0 0 18 35,-0.3 -2,-0.1 -2,-0.2 35,-0.1 -0.479 33.8 -88.8 -78.9 153.3 -1.2 14.6 19.3 85 86 A P > - 0 0 69 0, 0.0 3,-2.0 0, 0.0 -61,-0.2 -0.343 30.4-133.0 -60.3 134.6 -0.8 16.1 22.8 86 87 A E T 3 S+ 0 0 128 1,-0.3 -61,-0.4 -62,-0.1 -62,-0.3 0.796 106.2 56.9 -59.2 -28.5 0.6 13.5 25.2 87 88 A D T 3 S+ 0 0 120 -63,-0.1 -1,-0.3 -64,-0.1 2,-0.0 0.425 75.4 134.1 -83.6 3.1 -2.2 14.5 27.7 88 89 A R < - 0 0 31 -3,-2.0 -64,-0.4 1,-0.1 -63,-0.1 -0.297 60.2-116.0 -61.5 127.8 -5.0 13.7 25.3 89 90 A S - 0 0 77 -67,-0.1 -67,-0.2 1,-0.1 -1,-0.1 -0.309 38.9 -88.2 -63.4 147.4 -7.7 11.7 27.0 90 91 A L - 0 0 30 -69,-2.8 2,-0.3 -71,-0.1 -1,-0.1 -0.234 38.5-149.6 -58.2 129.9 -8.5 8.2 25.7 91 92 A L >> - 0 0 9 -3,-0.1 4,-2.2 1,-0.1 3,-0.6 -0.793 22.2-119.3 -98.8 149.6 -11.0 8.0 22.9 92 93 A T H 3> S+ 0 0 29 -2,-0.3 4,-2.3 1,-0.3 5,-0.1 0.873 113.6 52.2 -59.6 -39.9 -13.1 4.9 22.7 93 94 A M H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.829 108.1 52.5 -66.1 -30.4 -11.9 3.9 19.2 94 95 A E H <> S+ 0 0 1 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.886 107.4 51.7 -69.2 -36.2 -8.3 4.2 20.6 95 96 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.919 108.4 51.9 -62.7 -42.9 -9.3 1.9 23.4 96 97 A M H X>S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.5 0.915 108.2 50.8 -59.4 -43.6 -10.6 -0.6 20.8 97 98 A L H X5S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.812 110.3 51.4 -61.2 -32.1 -7.3 -0.3 18.9 98 99 A G H X5S+ 0 0 0 -4,-1.7 4,-2.2 3,-0.2 -2,-0.2 0.953 115.9 38.5 -68.6 -52.4 -5.5 -1.1 22.2 99 100 A L H X5S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.960 124.1 38.6 -61.0 -53.4 -7.6 -4.2 23.0 100 101 A V H X5S+ 0 0 2 -4,-3.0 4,-1.6 -5,-0.2 -3,-0.2 0.924 116.3 52.8 -67.2 -42.6 -7.9 -5.6 19.4 101 102 A G H X -g 311 0B 0 7,-0.5 3,-1.9 3,-0.4 6,-0.7 -0.987 13.6-138.2-124.1 118.8 8.6 4.1 13.5 111 112 A R T 3 S+ 0 0 145 200,-2.7 201,-0.1 -2,-0.5 -1,-0.1 0.797 99.0 42.8 -49.2 -44.5 11.1 6.6 14.6 112 113 A E T 3 S+ 0 0 72 199,-0.3 2,-0.5 3,-0.1 -1,-0.3 0.519 103.0 81.1 -81.9 -6.7 11.2 8.8 11.5 113 114 A L S X S- 0 0 27 -3,-1.9 3,-1.7 1,-0.2 -3,-0.4 -0.876 109.8 -16.2-109.5 124.5 7.5 8.7 11.0 114 115 A R G > S- 0 0 36 -2,-0.5 3,-2.1 1,-0.3 -1,-0.2 0.900 122.1 -61.0 52.5 42.4 5.0 10.9 12.8 115 116 A S G 3 S- 0 0 88 1,-0.3 -1,-0.3 -3,-0.3 -3,-0.1 0.731 93.2 -65.6 59.1 25.7 7.6 11.8 15.4 116 117 A G G < S+ 0 0 14 -3,-1.7 -1,-0.3 -6,-0.7 -2,-0.2 0.593 92.8 152.3 75.9 11.4 7.9 8.2 16.5 117 118 A T < - 0 0 41 -3,-2.1 -7,-0.5 -4,-0.4 -1,-0.2 -0.267 41.0-150.8 -76.2 162.8 4.4 8.1 17.8 118 119 A V S S+ 0 0 7 1,-0.2 2,-0.6 -9,-0.2 174,-0.3 0.855 82.2 55.3-100.9 -43.6 2.3 4.9 18.0 119 120 A Y S S- 0 0 11 172,-0.1 2,-0.5 -12,-0.1 -35,-0.3 -0.816 73.1-167.1 -92.9 119.8 -1.3 6.2 17.6 120 121 A H E -D 290 0A 1 170,-2.6 170,-2.9 -2,-0.6 2,-0.4 -0.932 15.5-141.1-113.1 126.9 -1.7 8.3 14.5 121 122 A D E -D 289 0A 3 -2,-0.5 2,-0.6 168,-0.2 168,-0.2 -0.693 15.0-155.3 -78.2 131.3 -4.6 10.6 13.8 122 123 A V E +D 288 0A 10 166,-3.1 166,-2.3 -2,-0.4 12,-0.1 -0.930 35.1 138.1-113.4 106.0 -5.5 10.4 10.1 123 124 A Y - 0 0 8 -2,-0.6 164,-0.1 164,-0.2 2,-0.1 -0.945 54.8 -90.7-142.1 158.3 -7.4 13.6 9.0 124 125 A P - 0 0 7 0, 0.0 11,-0.2 0, 0.0 10,-0.1 -0.474 36.5-168.0 -76.5 146.0 -7.1 15.8 5.9 125 126 A S > - 0 0 24 9,-2.3 3,-1.3 -2,-0.1 11,-0.1 -0.983 28.4-104.9-133.1 143.6 -4.8 18.7 5.7 126 127 A P T 3 S+ 0 0 92 0, 0.0 9,-0.0 0, 0.0 8,-0.0 -0.385 104.2 13.3 -64.5 143.9 -4.7 21.5 3.2 127 128 A G T 3 S- 0 0 86 1,-0.2 8,-0.1 -2,-0.1 3,-0.1 0.745 89.0-179.2 62.6 24.7 -1.8 21.3 0.7 128 129 A A < - 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