==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-MAY-10 3N5M . COMPND 2 MOLECULE: ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTR . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR S.M.ANDERSON,Z.WAWRZAK,R.DILEO,O.ONOPRIYENKO,A.SAVCHENKO, . 1805 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54410.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1304 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 180 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.4 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 . 4 0.2 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 . 115 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 207 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 566 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 46 2.5 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 8 4 0 0 0 0 0 5 4 8 5 4 5 4 1 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 8 8 8 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 . 8 8 4 12 4 4 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 . 4 0 4 4 0 0 4 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 S > 0 0 117 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 155.0 61.8 163.5 15.5 2 -1 A N H > + 0 0 110 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.869 360.0 56.8 -63.5 -38.5 63.7 160.4 14.3 3 0 A A H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.896 110.3 43.9 -62.0 -42.2 65.9 160.3 17.4 4 1 A X H > S+ 0 0 111 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.927 113.1 52.0 -65.2 -44.3 62.9 160.1 19.7 5 2 A K H X S+ 0 0 86 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.880 108.2 52.3 -61.0 -39.7 61.2 157.6 17.4 6 3 A T H X S+ 0 0 61 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.922 110.4 47.8 -62.7 -43.7 64.3 155.5 17.5 7 4 A K H X S+ 0 0 113 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.909 111.4 48.8 -64.5 -43.5 64.4 155.5 21.3 8 5 A Q H X S+ 0 0 109 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.882 110.6 53.0 -62.9 -38.9 60.7 154.6 21.7 9 6 A T H X S+ 0 0 6 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.919 108.8 48.3 -63.2 -45.1 61.2 151.8 19.3 10 7 A D H X S+ 0 0 87 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.897 110.5 50.9 -63.1 -42.8 64.1 150.4 21.2 11 8 A E H X S+ 0 0 101 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.928 113.4 46.2 -62.4 -41.5 62.2 150.5 24.5 12 9 A L H X S+ 0 0 15 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.902 111.6 50.1 -67.1 -43.3 59.3 148.7 22.8 13 10 A L H X S+ 0 0 33 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.875 109.3 52.5 -63.7 -39.0 61.5 146.1 21.2 14 11 A A H X S+ 0 0 57 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.909 110.0 47.6 -64.2 -42.8 63.2 145.4 24.5 15 12 A K H X S+ 0 0 68 -4,-1.8 4,-2.2 2,-0.2 5,-0.3 0.898 111.3 52.0 -63.9 -40.4 59.9 144.9 26.3 16 13 A D H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.927 108.4 49.7 -62.4 -44.6 58.7 142.6 23.5 17 14 A E H < S+ 0 0 72 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.919 115.7 44.7 -62.2 -43.1 61.9 140.4 23.7 18 15 A Q H < S+ 0 0 73 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.838 129.8 16.7 -66.5 -37.8 61.4 140.1 27.4 19 16 A Y H < S+ 0 0 24 -4,-2.2 1447,-3.0 -5,-0.1 2,-0.5 0.610 100.7 81.5-118.6 -17.4 57.7 139.5 27.6 20 17 A V B < -a 1466 0A 1 -4,-2.6 2,-0.6 -5,-0.3 1447,-0.2 -0.849 52.8-155.0-108.6 132.4 56.1 138.4 24.3 21 18 A W - 0 0 9 1445,-2.7 2,-0.5 -2,-0.5 1447,-0.4 -0.890 19.0-149.0-101.6 120.2 56.1 134.9 22.9 22 19 A H > - 0 0 16 -2,-0.6 3,-0.7 3,-0.1 1649,-0.2 -0.752 8.6-129.3 -97.6 131.1 55.7 134.9 19.1 23 20 A G T 3 S+ 0 0 1 1419,-0.6 1651,-0.2 -2,-0.5 1649,-0.2 -0.462 81.0 8.0 -72.6 144.2 54.0 132.2 17.2 24 21 A X T 3 S+ 0 0 37 1647,-1.8 -1,-0.2 1649,-0.4 1648,-0.2 0.698 101.2 100.9 64.2 27.8 55.6 130.6 14.2 25 22 A R S < S- 0 0 33 -3,-0.7 1646,-0.3 1646,-0.4 -3,-0.1 -0.992 70.4-110.4-149.0 149.1 59.1 132.1 14.3 26 23 A P - 0 0 66 0, 0.0 2,-1.1 0, 0.0 1637,-0.1 -0.314 59.2 -87.6 -63.8 154.6 62.7 131.4 15.3 27 24 A F S S+ 0 0 51 1637,-0.4 1636,-0.0 1635,-0.4 1643,-0.0 -0.461 71.3 144.9 -81.5 102.5 63.8 133.5 18.2 28 25 A S >> + 0 0 38 -2,-1.1 3,-0.9 1,-0.1 4,-0.6 -0.621 17.4 173.9-136.3 71.8 65.0 136.6 16.6 29 26 A P G >4 S+ 0 0 22 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.825 78.8 53.1 -62.0 -38.1 64.1 139.6 18.8 30 27 A N G 34 S+ 0 0 143 1,-0.2 -2,-0.0 -13,-0.0 -17,-0.0 0.850 104.8 56.8 -62.1 -38.4 65.9 142.2 16.7 31 28 A S G <4 S+ 0 0 86 -3,-0.9 -1,-0.2 2,-0.1 -4,-0.0 0.569 79.7 122.7 -69.0 -13.0 64.1 141.1 13.6 32 29 A T << - 0 0 4 -3,-1.0 2,-0.6 -4,-0.6 1412,-0.1 -0.247 53.0-145.9 -60.1 137.5 60.6 141.7 15.1 33 30 A T - 0 0 10 1410,-0.1 1412,-2.6 12,-0.0 2,-0.8 -0.913 6.7-156.2-106.8 118.9 58.3 144.1 13.3 34 31 A V E -h 1445 0B 0 -2,-0.6 12,-1.8 1410,-0.2 1412,-0.2 -0.836 15.2-137.7 -98.8 107.8 56.0 146.1 15.6 35 32 A G E +hI1446 45B 3 1410,-3.0 1412,-0.7 -2,-0.8 10,-0.3 -0.349 27.7 171.2 -62.3 139.8 52.9 147.3 13.7 36 33 A A E - 0 0 27 8,-2.9 2,-0.3 1,-0.5 9,-0.2 0.719 57.2 -21.1-118.1 -46.5 52.0 150.9 14.5 37 34 A K E - I 0 44B 108 7,-1.7 7,-2.5 1400,-0.0 -1,-0.5 -0.954 53.7-165.7-160.9 173.8 49.2 151.9 12.1 38 35 A A E - I 0 43B 17 1398,-0.8 2,-0.3 -2,-0.3 5,-0.2 -0.989 7.9-172.2-166.6 157.5 47.6 151.1 8.7 39 36 A E E > - I 0 42B 113 3,-2.4 3,-1.9 -2,-0.3 2,-0.5 -0.893 64.8 -30.7-161.1 125.1 45.2 152.3 6.0 40 37 A G B 3 S-L 65 0C 22 25,-2.3 25,-2.8 -2,-0.3 392,-0.1 -0.506 127.0 -19.5 70.6-114.5 43.9 150.5 3.0 41 38 A C T 3 S+ 0 0 1 -2,-0.5 12,-3.3 23,-0.2 2,-0.4 0.302 120.2 89.9-107.2 3.6 46.4 147.9 1.8 42 39 A W E < -IJ 39 52B 52 -3,-1.9 -3,-2.4 10,-0.2 2,-0.3 -0.868 51.0-171.5-112.9 136.8 49.4 149.5 3.6 43 40 A V E -IJ 38 51B 1 8,-2.5 8,-2.8 -2,-0.4 2,-0.4 -0.844 7.9-155.5-118.4 159.8 50.7 148.9 7.1 44 41 A E E -IJ 37 50B 33 -7,-2.5 -8,-2.9 -2,-0.3 -7,-1.7 -0.998 7.8-138.8-138.6 138.2 53.4 150.8 8.9 45 42 A D E > -I 35 0B 3 4,-2.2 3,-1.5 -2,-0.4 -10,-0.2 -0.257 36.5 -94.1 -90.5 178.7 55.7 149.9 11.7 46 43 A I T 3 S+ 0 0 23 -12,-1.8 -37,-0.1 1,-0.3 -11,-0.1 0.783 124.9 56.4 -64.7 -26.5 56.8 151.8 14.8 47 44 A Q T 3 S- 0 0 91 -13,-0.2 -1,-0.3 2,-0.1 -41,-0.1 0.525 121.2-109.1 -82.1 -7.6 60.0 153.1 13.0 48 45 A G < + 0 0 28 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.449 68.4 143.8 96.5 1.6 57.7 154.5 10.3 49 46 A K - 0 0 71 1,-0.0 -4,-2.2 -5,-0.0 2,-0.3 -0.547 38.0-144.3 -72.4 137.5 58.5 152.1 7.3 50 47 A R E -J 44 0B 115 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.814 16.3-174.3-106.5 146.2 55.4 151.3 5.1 51 48 A Y E -J 43 0B 13 -8,-2.8 -8,-2.5 -2,-0.3 2,-0.6 -0.996 30.3-122.3-137.0 141.5 54.6 148.0 3.4 52 49 A L E -Jk 42 409B 1 356,-2.9 358,-3.1 -2,-0.4 2,-1.4 -0.737 33.6-135.9 -75.2 121.4 52.0 146.8 1.0 53 50 A D E > + k 0 410B 5 -12,-3.3 3,-1.3 -2,-0.6 358,-0.1 -0.656 29.2 175.8 -86.5 90.3 50.4 144.0 2.9 54 51 A G T 3 S+ 0 0 0 -2,-1.4 374,-2.5 356,-1.4 358,-0.2 0.385 78.0 52.8 -74.2 4.5 50.2 141.3 0.2 55 52 A X T 3> S- 0 0 15 372,-0.2 4,-2.9 356,-0.1 5,-0.4 0.363 100.5-125.8-120.5 2.9 48.9 138.9 2.9 56 53 A S H <>> - 0 0 0 -3,-1.3 5,-2.4 1,-0.2 4,-2.1 0.921 69.2 -68.0 49.8 49.2 46.0 140.8 4.5 57 54 A G H 45S- 0 0 10 1,-0.2 -1,-0.2 3,-0.2 2,-0.1 -0.604 121.3 -11.4 73.0 -90.1 47.7 140.2 7.8 58 55 A L H 45S- 0 0 29 -2,-1.5 -2,-0.2 354,-0.0 -1,-0.2 -0.573 119.0 -66.4-134.9 72.9 47.1 136.5 7.8 59 56 A W H <5S+ 0 0 21 -4,-2.9 226,-0.3 369,-0.2 -3,-0.2 0.731 123.0 89.4 58.0 24.1 44.6 135.9 4.9 60 57 A C T <5 + 0 0 0 -4,-2.1 2,-2.1 -5,-0.4 3,-0.3 0.697 45.7 84.2-130.8 -26.1 42.1 137.9 7.0 61 58 A V > < + 0 0 0 -5,-2.4 3,-1.2 1,-0.2 -1,-0.1 -0.439 52.7 159.0 -84.5 66.5 41.9 141.7 6.7 62 59 A N T 3 + 0 0 0 -2,-2.1 369,-2.3 1,-0.3 370,-0.4 0.834 66.6 45.4 -63.0 -40.2 39.6 141.3 3.6 63 60 A S T 3 S- 0 0 1 -3,-0.3 -1,-0.3 1,-0.2 -23,-0.1 0.461 114.9-114.4 -85.3 0.4 38.0 144.8 3.7 64 61 A G < - 0 0 0 -3,-1.2 3,-0.4 224,-0.1 -1,-0.2 -0.102 35.9 -62.8 89.9 169.5 41.4 146.5 4.2 65 62 A Y B S+L 40 0C 4 -25,-2.8 -25,-2.3 1,-0.2 -23,-0.1 -0.409 103.2 41.1 -87.7 163.0 42.8 148.5 7.1 66 63 A G + 0 0 22 -27,-0.2 2,-1.2 1,-0.2 -1,-0.2 0.693 63.2 164.2 79.2 18.9 41.6 151.8 8.5 67 64 A R >> - 0 0 28 -3,-0.4 4,-1.7 1,-0.2 3,-0.6 -0.592 14.1-178.4 -76.3 98.3 37.9 151.1 8.4 68 65 A K H 3> S+ 0 0 94 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.839 81.0 60.3 -63.1 -35.7 36.4 153.8 10.6 69 66 A E H 3> S+ 0 0 65 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.786 104.5 49.6 -65.5 -27.4 32.9 152.4 10.1 70 67 A L H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.911 109.8 50.3 -76.4 -42.7 34.0 149.1 11.6 71 68 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.909 111.4 50.0 -55.4 -45.5 35.6 150.8 14.6 72 69 A E H X S+ 0 0 83 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.877 107.0 53.7 -61.7 -42.4 32.3 152.7 15.1 73 70 A A H X S+ 0 0 21 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.923 112.4 43.6 -60.6 -45.1 30.2 149.5 14.9 74 71 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.934 114.6 50.2 -64.6 -48.1 32.2 147.9 17.6 75 72 A Y H X S+ 0 0 27 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.904 108.0 51.9 -56.4 -47.9 32.2 151.0 19.8 76 73 A K H < S+ 0 0 153 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.897 113.5 45.2 -60.1 -40.1 28.5 151.5 19.5 77 74 A Q H >X S+ 0 0 27 -4,-1.6 4,-2.5 -5,-0.2 3,-1.4 0.894 107.3 56.5 -69.9 -41.1 27.9 147.9 20.6 78 75 A L H 3< S+ 0 0 4 -4,-2.7 4,-0.2 1,-0.3 -1,-0.2 0.810 107.9 51.1 -59.5 -30.3 30.4 148.1 23.5 79 76 A Q T 3< S+ 0 0 94 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.589 116.3 40.4 -79.6 -13.2 28.4 151.0 24.8 80 77 A T T <4 S- 0 0 66 -3,-1.4 1314,-0.8 -4,-0.3 2,-0.3 0.862 135.7 -16.9-101.7 -54.6 25.1 149.1 24.6 81 78 A L < - 0 0 5 -4,-2.5 -1,-0.2 1312,-0.2 -2,-0.1 -0.836 53.0-175.2-157.6 116.2 25.9 145.6 25.8 82 79 A S + 0 0 2 -2,-0.3 244,-0.4 1,-0.2 2,-0.3 0.785 69.9 19.2 -87.1 -29.8 29.4 144.3 26.0 83 80 A Y + 0 0 4 241,-0.1 -1,-0.2 242,-0.1 1563,-0.1 -0.998 49.5 157.1-147.4 141.6 28.6 140.7 27.0 84 81 A F - 0 0 12 -2,-0.3 6,-0.1 -3,-0.1 1330,-0.0 -0.876 44.8-107.7-155.2 133.9 25.9 138.1 27.1 85 82 A P > - 0 0 14 0, 0.0 3,-1.0 0, 0.0 1306,-0.2 -0.300 18.6-134.5 -65.2 140.1 26.3 134.3 27.2 86 83 A X T 3 S+ 0 0 11 233,-0.3 1293,-0.3 1,-0.3 26,-0.1 0.564 103.8 73.7 -74.9 -9.5 25.5 132.4 24.0 87 84 A S T 3 S+ 0 0 24 1291,-0.2 -1,-0.3 1293,-0.1 2,-0.1 0.890 114.6 29.7 -61.9 -39.7 23.6 129.8 26.1 88 85 A Q S < S- 0 0 40 -3,-1.0 2,-0.3 1300,-0.1 1302,-0.2 -0.145 102.5-116.4 -92.1-163.4 21.3 132.9 26.1 89 86 A S E -m 1390 0D 0 1300,-2.3 1302,-3.2 -2,-0.1 2,-0.3 -0.896 18.9-163.0-139.3 166.2 21.2 135.4 23.2 90 87 A H E > -m 1391 0D 1 -2,-0.3 4,-1.7 1300,-0.3 3,-0.5 -0.973 36.3-109.3-146.0 158.5 21.8 139.0 22.1 91 88 A E H > S+ 0 0 56 1300,-0.7 4,-2.9 -2,-0.3 5,-0.3 0.863 112.5 56.1 -62.7 -42.2 20.7 140.9 19.0 92 89 A P H > S+ 0 0 12 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.903 110.2 46.8 -56.0 -40.6 24.0 141.2 17.2 93 90 A A H > S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.890 113.3 48.8 -66.0 -41.0 24.4 137.4 17.3 94 91 A I H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.935 113.5 45.5 -66.0 -47.6 20.9 136.9 16.0 95 92 A K H X S+ 0 0 93 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.866 114.5 48.5 -62.6 -40.5 21.2 139.4 13.2 96 93 A L H X S+ 0 0 0 -4,-2.1 4,-3.2 -5,-0.3 5,-0.2 0.904 109.0 52.8 -68.0 -41.2 24.6 138.0 12.1 97 94 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.912 112.2 45.9 -59.9 -43.1 23.3 134.4 12.2 98 95 A E H X S+ 0 0 42 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.905 113.7 49.0 -63.6 -42.4 20.5 135.4 9.9 99 96 A K H X S+ 0 0 57 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.902 110.1 50.5 -65.8 -43.0 22.9 137.4 7.6 100 97 A L H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 6,-0.2 0.859 105.8 56.6 -63.3 -36.7 25.3 134.5 7.4 101 98 A N H X>S+ 0 0 4 -4,-1.7 5,-2.0 -5,-0.2 4,-0.7 0.907 108.2 48.0 -63.5 -39.1 22.5 132.2 6.5 102 99 A E H ><5S+ 0 0 109 -4,-1.6 3,-0.9 2,-0.2 -2,-0.2 0.941 112.1 48.8 -62.1 -48.3 21.7 134.5 3.5 103 100 A W H 3<5S+ 0 0 30 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.896 111.7 49.7 -61.3 -39.6 25.3 134.6 2.5 104 101 A L H 3<5S- 0 0 4 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.630 115.5-114.6 -72.9 -15.7 25.6 130.8 2.7 105 102 A G T <<5 - 0 0 58 -3,-0.9 -3,-0.2 -4,-0.7 -2,-0.1 0.555 66.9 -77.1 88.9 6.1 22.4 130.3 0.6 106 103 A G S S- 0 0 7 177,-0.1 4,-1.8 179,-0.1 167,-0.1 -0.719 75.2-113.5-121.9 165.6 38.8 131.1 16.1 116 113 A G H > S+ 0 0 12 -2,-0.2 4,-2.1 2,-0.2 5,-0.2 0.875 117.9 55.6 -62.9 -38.5 38.9 128.9 13.0 117 114 A S H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 109.1 46.1 -60.6 -45.1 40.4 126.2 15.1 118 115 A E H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.854 109.2 55.9 -64.1 -36.8 37.5 126.3 17.5 119 116 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.904 110.1 44.9 -64.3 -40.3 35.0 126.4 14.7 120 117 A N H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.892 110.7 53.3 -69.9 -40.5 36.5 123.2 13.3 121 118 A E H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.898 108.4 51.3 -58.2 -42.6 36.6 121.5 16.7 122 119 A T H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.896 107.0 53.6 -62.6 -41.4 32.9 122.4 17.1 123 120 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.877 107.5 51.0 -59.3 -42.6 32.2 120.8 13.8 124 121 A F H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.926 112.0 45.9 -60.4 -46.6 33.8 117.6 14.9 125 122 A K H X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.874 112.6 49.9 -67.7 -40.3 31.8 117.4 18.1 126 123 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.907 109.9 51.9 -64.0 -42.4 28.6 118.1 16.4 127 124 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.943 112.8 44.9 -61.4 -47.5 29.3 115.4 13.7 128 125 A R H X S+ 0 0 8 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.924 115.8 44.9 -62.4 -45.3 29.9 112.8 16.4 129 126 A Q H X 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-85,-0.1 -4,-0.1 -55,-0.0 -0.826 360.0 360.0-129.1 360.0 11.8 123.3 48.7