==== 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 TRANSFERASE 10-AUG-98 1BO7 . COMPND 2 MOLECULE: PROTEIN (THYMIDYLATE SYNTHASE); . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR R.MORSE,J.FINER-MOORE,R.M.STROUD . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 13.0 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 . 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 . 30 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 1 3 0 1 0 2 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 1 1 2 1 0 0 0 1 0 0 1 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 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 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 1 A M > 0 0 127 0, 0.0 3,-1.7 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 179.9 4.8 27.8 -44.3 2 2 A L T 3 + 0 0 32 1,-0.3 37,-0.1 40,-0.1 41,-0.1 0.816 360.0 45.9 -53.5 -36.1 3.6 31.5 -44.3 3 3 A E T >> S+ 0 0 6 1,-0.2 3,-1.4 2,-0.1 4,-1.3 0.474 77.6 108.5 -92.5 2.6 6.7 32.8 -46.0 4 4 A Q H <> S+ 0 0 51 -3,-1.7 4,-3.2 1,-0.3 5,-0.2 0.797 70.1 62.7 -49.0 -37.3 7.0 30.1 -48.7 5 5 A P H 3> S+ 0 0 34 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.919 102.9 51.4 -57.8 -36.8 6.0 32.5 -51.5 6 6 A Y H <> S+ 0 0 0 -3,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.922 111.9 44.7 -64.8 -46.4 9.1 34.6 -50.8 7 7 A L H X S+ 0 0 6 -4,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.907 113.1 52.1 -65.7 -37.6 11.3 31.5 -51.0 8 8 A D H X S+ 0 0 74 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.860 106.5 53.6 -65.3 -35.6 9.5 30.4 -54.1 9 9 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.926 110.6 47.3 -63.4 -44.7 10.1 33.9 -55.7 10 10 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.899 111.7 49.6 -63.1 -43.6 13.9 33.5 -55.0 11 11 A K H X S+ 0 0 84 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.946 110.6 51.3 -61.4 -46.1 14.0 30.0 -56.4 12 12 A K H <>S+ 0 0 67 -4,-2.3 5,-0.6 1,-0.2 -2,-0.2 0.895 110.6 45.3 -59.4 -45.5 12.2 31.1 -59.6 13 13 A V H >X5S+ 0 0 0 -4,-2.0 4,-0.9 3,-0.2 3,-0.7 0.827 112.1 57.6 -68.7 -27.0 14.5 34.0 -60.3 14 14 A L H 3<5S+ 0 0 52 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.934 120.8 22.8 -68.3 -50.2 17.3 31.6 -59.6 15 15 A D T 3<5S+ 0 0 120 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 -0.297 137.0 27.5-116.3 52.3 16.4 29.0 -62.2 16 16 A E T <45S+ 0 0 115 -3,-0.7 -3,-0.2 1,-0.2 -2,-0.1 0.215 88.0 106.0-171.5 -24.8 14.3 31.1 -64.7 17 17 A G << - 0 0 16 -4,-0.9 2,-0.3 -5,-0.6 -1,-0.2 -0.447 60.5-136.2 -73.1 143.6 15.5 34.7 -64.5 18 18 A H E -A 30 0A 148 12,-1.7 12,-2.5 -2,-0.1 2,-0.3 -0.676 29.4 -94.4 -98.3 155.1 17.5 36.0 -67.4 19 19 A F E +A 29 0A 117 -2,-0.3 10,-0.2 10,-0.2 -1,-0.1 -0.501 48.9 177.5 -68.9 129.8 20.6 38.1 -66.9 20 20 A K E -A 28 0A 97 8,-2.6 8,-1.6 -2,-0.3 2,-0.1 -0.999 23.7-131.1-138.5 133.0 19.8 41.7 -67.2 21 21 A P - 0 0 98 0, 0.0 2,-0.3 0, 0.0 6,-0.1 -0.467 31.3-163.5 -76.5 158.3 22.1 44.7 -66.7 22 22 A D > - 0 0 35 -2,-0.1 3,-1.0 1,-0.1 5,-0.1 -0.847 35.1 -91.9-141.2 178.2 21.1 47.6 -64.4 23 23 A R T 3 S+ 0 0 190 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.912 120.3 49.8 -51.6 -55.0 21.5 51.2 -63.2 24 24 A T T 3 S- 0 0 11 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.609 105.8-126.8 -63.8 -18.4 24.1 50.3 -60.5 25 25 A H S < S+ 0 0 174 -3,-1.0 2,-0.7 1,-0.2 -2,-0.1 0.701 74.3 121.4 74.5 20.2 26.1 48.3 -62.9 26 26 A T S S- 0 0 26 289,-0.1 -1,-0.2 290,-0.0 -2,-0.2 -0.964 70.6-117.1-110.7 106.6 26.0 45.2 -60.6 27 27 A G - 0 0 14 -2,-0.7 235,-2.9 234,-0.1 236,-0.3 0.169 32.6-159.3 -42.5 161.3 24.4 42.5 -62.8 28 28 A T E -AB 20 261A 2 -8,-1.6 -8,-2.6 233,-0.3 2,-0.6 -0.945 23.4-133.3-144.2 159.5 21.1 41.0 -62.0 29 29 A Y E -AB 19 260A 71 231,-1.9 231,-2.3 -2,-0.3 2,-0.3 -0.996 45.4-171.3-111.7 119.1 19.0 37.9 -62.7 30 30 A S E -AB 18 259A 14 -12,-2.5 -12,-1.7 -2,-0.6 2,-0.3 -0.835 27.8-175.2-123.2 152.7 15.5 39.3 -63.4 31 31 A I E - B 0 258A 19 227,-1.8 227,-2.3 -2,-0.3 2,-0.5 -0.941 21.2-138.7-134.7 153.3 11.8 38.3 -64.0 32 32 A F E S+ B 0 257A 164 -2,-0.3 225,-0.2 1,-0.2 224,-0.1 -0.968 70.5 14.5-120.7 119.6 9.0 40.7 -65.0 33 33 A G E + 0 0 48 223,-2.8 2,-0.3 -2,-0.5 -1,-0.2 0.735 65.7 157.3 88.0 103.6 5.6 40.3 -63.4 34 34 A H E - B 0 255A 43 221,-1.0 221,-2.6 -3,-0.1 2,-0.3 -0.966 19.1-160.9-149.1 159.2 5.1 38.2 -60.3 35 35 A Q E + B 0 254A 101 -2,-0.3 2,-0.3 219,-0.2 219,-0.2 -0.986 7.6 179.7-149.6 133.7 2.5 38.1 -57.6 36 36 A M E - B 0 253A 8 217,-2.1 217,-2.9 -2,-0.3 2,-0.4 -0.942 11.4-155.1-128.3 153.4 2.5 36.6 -54.1 37 37 A R E - B 0 252A 119 -2,-0.3 2,-0.4 215,-0.2 215,-0.2 -0.995 1.7-159.0-136.2 139.8 -0.2 36.7 -51.5 38 38 A F E - B 0 251A 4 213,-2.8 213,-1.9 -2,-0.4 2,-1.0 -0.967 14.9-141.3-117.8 130.9 -0.1 36.5 -47.7 39 39 A D E > - B 0 250A 59 -2,-0.4 3,-2.2 211,-0.2 211,-0.2 -0.827 14.8-163.8 -92.3 101.5 -3.0 35.4 -45.5 40 40 A L T 3 S+ 0 0 7 209,-1.7 3,-0.2 -2,-1.0 -1,-0.1 0.467 83.4 67.4 -66.8 -4.2 -2.6 37.8 -42.6 41 41 A S T 3 S+ 0 0 73 208,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.576 95.2 59.2 -90.5 -9.4 -4.9 35.7 -40.4 42 42 A K S < S- 0 0 137 -3,-2.2 237,-0.3 1,-0.4 -2,-0.2 0.499 123.9 -75.9 -91.5 -8.7 -2.3 33.0 -40.5 43 43 A G - 0 0 12 -3,-0.2 -1,-0.4 -4,-0.2 238,-0.2 -0.619 59.3 -52.0 135.3 169.7 0.4 35.2 -39.0 44 44 A F - 0 0 2 236,-2.6 2,-2.5 -2,-0.2 187,-0.1 -0.657 44.3-133.0 -86.2 124.7 2.8 38.1 -39.7 45 45 A P + 0 0 2 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.239 54.8 138.5 -70.6 50.5 5.0 37.7 -42.7 46 46 A L - 0 0 2 -2,-2.5 -43,-0.1 234,-0.1 182,-0.1 -0.889 65.3-106.4 -93.8 125.0 8.3 38.7 -41.1 47 47 A L - 0 0 4 -2,-0.6 5,-0.4 180,-0.2 3,-0.3 -0.335 31.5-171.2 -56.0 131.8 10.8 36.2 -42.5 48 48 A T S S+ 0 0 0 229,-0.2 259,-1.8 1,-0.2 -1,-0.2 0.586 80.4 70.9 -94.6 -15.2 11.9 33.5 -40.0 49 49 A T S S+ 0 0 0 257,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.398 111.7 21.7 -82.6 5.0 14.6 32.2 -42.4 50 50 A K S S- 0 0 16 -3,-0.3 2,-0.4 257,-0.1 259,-0.2 -0.910 92.4-103.4-166.5 139.3 16.7 35.3 -41.8 51 51 A K - 0 0 131 257,-0.3 259,-0.2 -2,-0.3 -3,-0.1 -0.601 38.3-171.6 -72.9 123.0 16.7 37.9 -39.0 52 52 A V - 0 0 5 -2,-0.4 2,-1.3 -5,-0.4 3,-0.1 -0.984 26.2-123.9-121.4 124.1 14.9 41.0 -40.1 53 53 A P >> - 0 0 58 0, 0.0 3,-1.3 0, 0.0 4,-1.0 -0.514 27.1-178.4 -68.7 89.7 15.0 44.1 -37.9 54 54 A F H 3> S+ 0 0 18 -2,-1.3 4,-3.1 1,-0.3 3,-0.3 0.803 76.5 69.6 -59.4 -31.0 11.3 44.9 -37.4 55 55 A G H 3> S+ 0 0 39 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.855 99.6 48.0 -58.0 -35.8 12.2 47.9 -35.3 56 56 A L H <> S+ 0 0 48 -3,-1.3 4,-0.7 2,-0.2 -1,-0.3 0.790 112.2 47.5 -75.6 -30.1 13.5 49.6 -38.4 57 57 A I H X S+ 0 0 0 -4,-1.0 4,-2.0 -3,-0.3 3,-0.2 0.908 111.8 52.0 -78.9 -34.3 10.4 48.8 -40.4 58 58 A K H X S+ 0 0 30 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.917 111.4 43.4 -65.9 -47.5 8.1 50.0 -37.6 59 59 A S H X S+ 0 0 1 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.2 0.649 112.4 54.4 -75.8 -16.3 9.7 53.4 -37.2 60 60 A E H X S+ 0 0 26 -4,-0.7 4,-1.7 -3,-0.2 -2,-0.2 0.864 108.8 47.9 -82.6 -35.1 9.9 54.0 -40.9 61 61 A L H X S+ 0 0 1 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.895 110.9 50.9 -69.9 -40.8 6.2 53.3 -41.4 62 62 A L H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 6,-0.2 0.886 107.3 53.8 -62.9 -40.3 5.3 55.6 -38.5 63 63 A W H <>S+ 0 0 0 -4,-1.0 5,-1.8 2,-0.2 -1,-0.2 0.896 112.0 45.3 -59.5 -42.2 7.5 58.3 -40.1 64 64 A F H ><5S+ 0 0 6 -4,-1.7 3,-1.9 1,-0.2 -2,-0.2 0.941 110.5 54.3 -65.2 -49.6 5.5 57.9 -43.4 65 65 A L H 3<5S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.682 104.9 53.0 -56.2 -30.2 2.2 57.8 -41.4 66 66 A H T 3<5S- 0 0 65 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.436 111.5-122.4 -85.4 -3.7 2.9 61.2 -39.8 67 67 A G T < 5 + 0 0 24 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.747 59.8 157.0 66.7 25.5 3.6 62.6 -43.2 68 68 A D < + 0 0 49 -5,-1.8 79,-0.3 -6,-0.2 -1,-0.2 -0.505 28.1 178.2 -84.4 146.9 7.0 63.5 -41.9 69 69 A T + 0 0 22 -2,-0.2 73,-2.7 78,-0.2 74,-0.5 0.158 47.4 104.5-133.9 15.7 9.9 64.0 -44.4 70 70 A N B > -F 141 0B 25 71,-0.2 3,-1.5 1,-0.1 4,-0.5 -0.900 63.6-143.1-109.3 124.8 12.7 64.9 -42.1 71 71 A I T >> S+ 0 0 0 69,-3.3 4,-2.0 -2,-0.5 3,-1.6 0.833 89.0 84.5 -47.8 -37.1 15.5 62.4 -41.2 72 72 A R H 3> S+ 0 0 47 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.762 85.9 52.6 -39.5 -41.4 15.5 63.8 -37.6 73 73 A F H <4 S+ 0 0 27 -3,-1.5 -1,-0.3 2,-0.2 4,-0.2 0.871 112.3 45.9 -66.3 -38.6 12.6 61.6 -36.5 74 74 A L H X4>S+ 0 0 0 -3,-1.6 3,-2.5 -4,-0.5 5,-2.1 0.943 109.5 52.5 -68.0 -53.5 14.4 58.5 -37.8 75 75 A L H ><5S+ 0 0 12 -4,-2.0 3,-2.3 1,-0.3 -2,-0.2 0.888 103.3 59.4 -51.2 -41.8 17.8 59.3 -36.3 76 76 A Q T 3<5S+ 0 0 112 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.676 107.9 46.9 -60.9 -19.6 16.1 59.8 -33.0 77 77 A H T < 5S- 0 0 56 -3,-2.5 -1,-0.3 -4,-0.2 -2,-0.2 0.146 120.3-108.7-107.5 18.1 15.0 56.1 -33.3 78 78 A R T < 5S+ 0 0 213 -3,-2.3 2,-0.7 1,-0.2 -3,-0.2 0.819 74.3 141.8 58.9 34.0 18.5 54.9 -34.4 79 79 A N < + 0 0 0 -5,-2.1 3,-0.4 -8,-0.1 -1,-0.2 -0.865 22.1 169.8-110.4 104.8 17.2 54.4 -37.9 80 80 A H > + 0 0 98 -2,-0.7 3,-1.3 1,-0.2 4,-0.5 0.308 38.2 119.4 -99.1 14.8 19.7 55.3 -40.5 81 81 A I T 3 S+ 0 0 60 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.727 85.1 31.5 -51.6 -26.0 17.9 53.9 -43.5 82 82 A W T >> S+ 0 0 23 -3,-0.4 3,-1.2 1,-0.1 4,-1.2 0.459 84.1 103.7-116.3 1.1 17.7 57.3 -45.2 83 83 A D H <> S+ 0 0 5 -3,-1.3 4,-3.2 1,-0.3 5,-0.3 0.869 74.8 64.6 -48.6 -46.9 20.8 59.2 -44.1 84 84 A E H 3> S+ 0 0 86 -4,-0.5 4,-2.4 1,-0.2 -1,-0.3 0.843 102.1 49.6 -46.8 -42.0 22.5 58.6 -47.5 85 85 A W H <> S+ 0 0 101 -3,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.899 115.5 39.9 -66.8 -46.9 19.9 60.7 -49.2 86 86 A A H X S+ 0 0 0 -4,-1.2 4,-1.7 -3,-0.3 -2,-0.2 0.929 116.4 51.8 -68.0 -48.5 20.1 63.7 -46.8 87 87 A F H X S+ 0 0 0 -4,-3.2 4,-3.2 2,-0.2 5,-0.3 0.909 103.0 57.6 -54.1 -50.3 23.9 63.4 -46.6 88 88 A E H X S+ 0 0 66 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.947 108.8 47.9 -45.0 -54.9 24.3 63.4 -50.4 89 89 A K H < S+ 0 0 83 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.804 112.0 48.5 -56.3 -40.6 22.6 66.8 -50.4 90 90 A W H >< S+ 0 0 27 -4,-1.7 3,-0.5 -3,-0.3 6,-0.3 0.935 112.3 48.6 -65.7 -51.1 24.7 68.1 -47.6 91 91 A V H 3< S+ 0 0 18 -4,-3.2 2,-1.3 1,-0.3 -2,-0.2 0.885 106.1 57.1 -55.7 -46.0 27.9 67.0 -49.3 92 92 A K T 3< S+ 0 0 145 -4,-2.6 2,-0.3 -5,-0.3 -1,-0.3 -0.334 96.3 97.0 -86.2 54.0 27.0 68.4 -52.7 93 93 A S S X S- 0 0 33 -2,-1.3 3,-0.7 -3,-0.5 -3,-0.1 -0.935 81.2-115.4-142.9 165.9 26.5 72.0 -51.4 94 94 A D T 3 S+ 0 0 162 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.822 114.7 53.8 -66.2 -35.1 28.2 75.4 -50.9 95 95 A E T 3 S+ 0 0 77 -5,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.641 84.8 106.0 -77.8 -13.1 28.1 75.1 -47.1 96 96 A Y < + 0 0 23 -3,-0.7 2,-0.4 -6,-0.3 -5,-0.1 -0.508 44.7 178.8 -73.2 128.2 29.9 71.8 -47.2 97 97 A H + 0 0 160 -2,-0.3 3,-0.0 2,-0.0 -3,-0.0 -0.858 39.8 58.3-135.5 99.2 33.5 71.9 -46.0 98 98 A G S S- 0 0 43 -2,-0.4 -2,-0.0 -7,-0.1 0, 0.0 -0.970 86.9 -9.3 173.6-168.9 35.5 68.7 -45.9 99 99 A P S S- 0 0 56 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.060 70.8-106.2 -47.2 146.8 36.8 65.8 -47.9 100 100 A D - 0 0 89 1,-0.2 3,-0.1 2,-0.1 4,-0.1 0.773 38.3-173.5 -47.9 -37.2 35.4 65.4 -51.4 101 101 A M > + 0 0 0 1,-0.2 3,-1.4 2,-0.1 -1,-0.2 0.476 20.9 165.8 53.4 -0.3 33.2 62.5 -50.5 102 102 A T T 3 S+ 0 0 91 1,-0.3 -1,-0.2 2,-0.1 5,-0.1 -0.223 70.6 0.2 -50.3 123.1 32.4 62.3 -54.2 103 103 A D T >> S+ 0 0 87 -3,-0.1 4,-1.6 1,-0.1 3,-0.5 0.905 79.5 171.7 59.1 45.7 30.8 58.9 -54.9 104 104 A F H <> + 0 0 20 -3,-1.4 4,-1.0 1,-0.2 5,-0.1 0.709 64.4 72.5 -56.9 -20.1 31.1 58.0 -51.2 105 105 A G H 3> S+ 0 0 26 2,-0.2 4,-0.7 -4,-0.1 -1,-0.2 0.954 108.3 23.3 -63.0 -56.9 28.9 54.9 -52.0 106 106 A H H X> S+ 0 0 65 -3,-0.5 3,-1.3 1,-0.2 4,-1.3 0.946 116.2 65.1 -76.2 -48.3 31.4 52.7 -53.9 107 107 A R H 3X S+ 0 0 78 -4,-1.6 4,-2.4 1,-0.3 8,-0.3 0.699 100.8 51.7 -47.6 -27.2 34.5 54.3 -52.4 108 108 A S H 3< S+ 0 0 25 -4,-1.0 -1,-0.3 -5,-0.2 7,-0.3 0.854 110.8 46.9 -78.9 -36.7 33.6 53.0 -49.0 109 109 A Q H << S+ 0 0 83 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.2 0.568 124.5 34.0 -80.1 -9.4 33.1 49.5 -50.2 110 110 A K H < S+ 0 0 140 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.2 0.785 113.8 53.5-110.4 -47.3 36.4 49.7 -52.1 111 111 A D X - 0 0 67 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