==== 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(METHYLTRANSFERASE) 02-APR-93 1THY . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR J.FINER-MOORE,R.STROUD . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15775.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 70.9 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 . 1 0.3 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 . 26 8.2 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 . 92 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 0 1 2 2 0 1 0 1 1 1 0 0 0 0 1 1 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 0 146 0, 0.0 3,-1.4 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 136.4 5.4 25.7 -41.8 2 2 A L T 3 + 0 0 36 1,-0.2 4,-0.2 40,-0.1 37,-0.1 0.765 360.0 50.1 -57.2 -34.8 4.7 29.4 -42.2 3 3 A E T >> S+ 0 0 9 1,-0.2 3,-1.6 2,-0.1 4,-1.3 0.584 77.1 104.8 -86.3 -0.9 7.9 30.7 -43.9 4 4 A Q H <> + 0 0 71 -3,-1.4 4,-2.8 1,-0.3 3,-0.4 0.823 69.0 64.2 -46.9 -46.1 7.7 28.1 -46.6 5 5 A P H 3> S+ 0 0 37 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.862 105.0 49.0 -44.3 -37.7 6.5 30.6 -49.3 6 6 A Y H <> S+ 0 0 0 -3,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.932 111.9 46.4 -68.8 -42.2 9.8 32.4 -48.9 7 7 A L H X S+ 0 0 9 -4,-1.3 4,-3.3 -3,-0.4 5,-0.3 0.967 115.1 46.7 -70.2 -41.0 11.9 29.2 -49.2 8 8 A D H X S+ 0 0 93 -4,-2.8 4,-1.9 1,-0.2 -1,-0.3 0.824 110.9 52.5 -64.5 -35.6 9.9 28.1 -52.2 9 9 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.4 -2,-0.2 0.934 114.7 43.0 -67.0 -38.9 10.3 31.7 -53.7 10 10 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.945 114.0 47.8 -75.3 -44.3 14.1 31.5 -53.2 11 11 A K H X S+ 0 0 103 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.939 112.8 53.4 -57.0 -45.4 14.4 27.9 -54.5 12 12 A K H X>S+ 0 0 78 -4,-1.9 4,-3.1 -5,-0.3 5,-0.6 0.879 108.1 46.8 -59.7 -45.2 12.3 28.9 -57.5 13 13 A V H X5S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.960 110.4 55.6 -65.4 -40.1 14.4 31.9 -58.4 14 14 A L H <5S+ 0 0 35 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.904 118.7 32.2 -53.4 -45.9 17.4 29.6 -58.0 15 15 A D H <5S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.799 133.4 23.3 -88.5 -33.7 15.9 27.2 -60.5 16 16 A E H <5S+ 0 0 96 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.561 86.0 125.3-102.8 -15.4 13.9 29.3 -63.1 17 17 A G << - 0 0 13 -4,-2.3 2,-0.4 -5,-0.6 14,-0.2 -0.185 51.9-143.9 -53.4 130.6 15.6 32.7 -62.7 18 18 A H E -A 30 0A 136 12,-2.0 12,-3.1 1,-0.0 -1,-0.1 -0.809 27.4-109.8 -91.5 139.1 16.9 34.2 -65.9 19 19 A F E +A 29 0A 121 -2,-0.4 10,-0.2 10,-0.3 -1,-0.0 -0.397 44.5 176.5 -65.5 148.4 20.1 36.0 -65.5 20 20 A K E -A 28 0A 88 8,-1.9 8,-2.5 -2,-0.0 2,-0.1 -0.958 26.8-129.2-150.9 133.0 19.6 39.7 -65.9 21 21 A P - 0 0 98 0, 0.0 2,-0.3 0, 0.0 6,-0.1 -0.422 35.2-179.9 -66.5 166.5 22.1 42.6 -65.5 22 22 A D - 0 0 40 2,-0.5 4,-0.0 4,-0.2 5,-0.0 -0.832 40.9 -67.1-151.0-169.0 21.0 45.5 -63.2 23 23 A R S S+ 0 0 220 -2,-0.3 4,-0.1 2,-0.1 293,-0.1 0.918 108.7 63.4 -44.1 -65.5 22.0 48.8 -61.8 24 24 A T S S- 0 0 27 2,-0.2 2,-1.4 1,-0.1 -2,-0.5 -0.250 100.7-107.2 -65.5 153.4 24.8 47.8 -59.5 25 25 A H S S+ 0 0 188 291,-0.7 2,-0.4 -4,-0.1 -1,-0.1 -0.018 100.8 90.2 -77.9 45.1 27.8 46.2 -61.3 26 26 A T S S- 0 0 24 -2,-1.4 -2,-0.2 289,-0.1 -4,-0.2 -0.992 74.3-135.8-141.0 127.0 26.6 42.9 -59.8 27 27 A G - 0 0 12 -2,-0.4 235,-2.5 -6,-0.1 236,-0.3 -0.244 15.4-145.2 -86.3-177.4 24.1 40.7 -61.8 28 28 A T E -AB 20 261A 3 -8,-2.5 -8,-1.9 233,-0.3 2,-0.5 -0.923 19.3-128.6-144.0 161.3 21.0 38.9 -60.8 29 29 A Y E -AB 19 260A 73 231,-1.9 231,-2.3 -2,-0.3 2,-0.3 -0.972 48.0-171.3-104.1 121.6 18.8 35.8 -61.3 30 30 A S E -AB 18 259A 6 -12,-3.1 -12,-2.0 -2,-0.5 2,-0.3 -0.894 26.7-176.9-127.6 150.8 15.3 37.3 -61.8 31 31 A I E - B 0 258A 16 227,-2.4 227,-2.1 -2,-0.3 2,-0.4 -0.958 18.2-143.4-129.8 158.8 11.7 36.3 -62.1 32 32 A F E + B 0 257A 161 -2,-0.3 225,-0.2 225,-0.2 224,-0.2 -0.977 68.4 20.2-123.6 134.6 8.7 38.6 -62.8 33 33 A G E + 0 0 47 223,-1.6 2,-0.3 222,-0.5 -1,-0.2 0.751 67.6 153.4 82.6 107.0 5.2 38.2 -61.3 34 34 A H E - B 0 255A 45 221,-1.1 221,-3.0 -3,-0.1 2,-0.4 -0.949 19.7-169.8-160.5 149.2 5.0 36.1 -58.1 35 35 A Q E - B 0 254A 97 -2,-0.3 2,-0.3 219,-0.2 219,-0.2 -0.987 3.1-176.5-144.4 129.8 2.6 36.2 -55.2 36 36 A M E - B 0 253A 8 217,-1.7 217,-2.1 -2,-0.4 2,-0.4 -0.885 12.9-148.4-122.9 165.9 3.0 34.4 -51.8 37 37 A R E - B 0 252A 120 -2,-0.3 2,-0.5 215,-0.2 215,-0.3 -0.994 6.8-164.5-137.1 131.9 0.4 34.4 -49.1 38 38 A F E - B 0 251A 3 213,-3.4 213,-2.4 -2,-0.4 2,-1.4 -0.965 17.0-141.3-124.9 127.1 0.8 34.2 -45.2 39 39 A D E > - B 0 250A 48 -2,-0.5 3,-2.7 211,-0.2 4,-0.4 -0.663 12.7-161.3 -82.5 96.6 -2.0 33.3 -42.8 40 40 A L T 3 S+ 0 0 5 209,-1.5 3,-0.2 -2,-1.4 -1,-0.2 0.489 81.7 71.7 -63.4 0.7 -1.3 35.6 -40.0 41 41 A S T 3 S+ 0 0 66 208,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.532 92.8 56.7 -88.1 -8.6 -3.4 33.6 -37.6 42 42 A K S < S- 0 0 147 -3,-2.7 2,-0.3 1,-0.3 237,-0.3 0.555 124.7 -63.0 -96.8 -7.8 -0.9 30.8 -37.6 43 43 A G - 0 0 13 -4,-0.4 -1,-0.3 -3,-0.2 238,-0.2 -0.987 62.0 -61.5 160.4-166.4 2.0 33.1 -36.4 44 44 A F - 0 0 0 236,-1.8 2,-2.7 -2,-0.3 187,-0.1 -0.973 45.3-132.1-114.1 119.9 4.1 36.0 -37.2 45 45 A P + 0 0 3 0, 0.0 2,-0.4 0, 0.0 189,-0.1 -0.170 55.7 139.1 -71.9 47.7 6.2 35.4 -40.4 46 46 A L - 0 0 2 -2,-2.7 -2,-0.1 234,-0.1 -43,-0.1 -0.785 64.5-102.7 -83.7 131.4 9.5 36.6 -39.0 47 47 A L - 0 0 2 -2,-0.4 5,-0.4 180,-0.2 3,-0.2 -0.316 32.0-171.6 -63.1 134.1 12.1 34.0 -40.4 48 48 A T S S+ 0 0 0 229,-0.2 259,-2.5 258,-0.1 -1,-0.1 0.584 80.1 71.1 -95.3 -12.2 13.4 31.2 -38.1 49 49 A T S S+ 0 0 0 257,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.433 114.2 14.4 -85.6 0.9 16.0 30.0 -40.7 50 50 A K S S- 0 0 17 -3,-0.2 2,-0.5 259,-0.0 259,-0.2 -0.931 92.2 -99.2-160.2 154.0 18.1 33.1 -40.2 51 51 A K - 0 0 126 257,-0.4 259,-0.3 -2,-0.3 -3,-0.1 -0.642 35.0-167.1 -76.0 123.7 18.0 35.7 -37.6 52 52 A V - 0 0 6 -2,-0.5 2,-1.6 -5,-0.4 3,-0.1 -0.942 28.1-118.9-108.8 131.1 16.2 38.9 -38.6 53 53 A P > - 0 0 60 0, 0.0 4,-1.2 0, 0.0 3,-0.5 -0.503 31.9-178.3 -67.1 86.3 16.6 42.1 -36.5 54 54 A F H > S+ 0 0 20 -2,-1.6 4,-2.2 1,-0.2 5,-0.2 0.830 76.4 63.8 -59.8 -29.4 13.0 42.6 -35.4 55 55 A G H > S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.951 102.2 50.1 -58.7 -47.0 13.9 45.8 -33.4 56 56 A L H > S+ 0 0 48 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.823 111.2 48.3 -55.3 -36.6 15.0 47.5 -36.7 57 57 A I H X S+ 0 0 0 -4,-1.2 4,-2.7 2,-0.2 5,-0.2 0.965 111.9 49.9 -69.5 -48.9 11.7 46.6 -38.4 58 58 A K H X S+ 0 0 31 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.923 112.4 44.4 -60.4 -49.1 9.7 47.8 -35.6 59 59 A S H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.878 112.7 53.3 -73.0 -27.0 11.3 51.2 -35.2 60 60 A E H X S+ 0 0 24 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.933 109.2 47.4 -70.1 -40.7 11.3 51.7 -39.0 61 61 A L H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.940 110.5 52.3 -65.9 -43.1 7.6 51.1 -39.2 62 62 A L H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 6,-0.2 0.937 105.0 55.4 -58.3 -42.3 6.9 53.4 -36.3 63 63 A W H <>S+ 0 0 0 -4,-2.3 5,-1.9 1,-0.2 3,-0.4 0.938 112.2 45.0 -57.9 -38.9 8.9 56.2 -38.1 64 64 A F H ><5S+ 0 0 6 -4,-1.8 3,-1.7 1,-0.2 -1,-0.2 0.881 109.7 53.0 -72.4 -40.6 6.5 55.7 -41.0 65 65 A L H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.723 105.8 55.1 -68.6 -21.3 3.4 55.6 -38.9 66 66 A H T 3<5S- 0 0 71 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.440 111.8-123.7 -86.7 -1.1 4.4 58.9 -37.3 67 67 A G T < 5 + 0 0 25 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.677 60.9 152.4 66.7 20.6 4.6 60.4 -40.8 68 68 A D < + 0 0 49 -5,-1.9 79,-0.4 -6,-0.2 -1,-0.2 -0.475 31.1 176.7 -84.6 146.3 8.2 61.3 -40.0 69 69 A T + 0 0 20 -2,-0.2 73,-2.7 78,-0.2 74,-0.5 0.120 49.1 104.1-128.1 14.2 10.9 61.7 -42.6 70 70 A N B > -F 141 0B 25 71,-0.3 3,-1.1 72,-0.1 4,-0.4 -0.914 63.1-143.9-108.9 132.4 13.8 62.8 -40.4 71 71 A I T 3> S+ 0 0 0 69,-2.9 4,-2.5 -2,-0.5 3,-0.4 0.658 84.9 88.8 -64.9 -20.5 16.6 60.3 -39.5 72 72 A R H 3> S+ 0 0 49 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.878 89.3 50.2 -50.8 -32.5 17.0 61.8 -36.0 73 73 A F H <> S+ 0 0 31 -3,-1.1 4,-0.9 2,-0.2 -1,-0.2 0.890 109.2 47.1 -74.6 -43.2 14.3 59.3 -34.8 74 74 A L H >4>S+ 0 0 0 -3,-0.4 5,-2.9 -4,-0.4 3,-0.9 0.949 113.1 51.6 -62.5 -42.6 15.7 56.1 -36.3 75 75 A L H ><5S+ 0 0 12 -4,-2.5 3,-1.9 1,-0.3 -2,-0.2 0.880 105.2 54.1 -65.7 -34.9 19.2 57.1 -34.9 76 76 A Q H 3<5S+ 0 0 120 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.797 108.8 51.0 -65.5 -24.9 17.7 57.6 -31.5 77 77 A H T <<5S- 0 0 59 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.028 120.1-112.2 -98.1 25.0 16.5 54.1 -31.9 78 78 A R T < 5S+ 0 0 208 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.641 74.9 137.7 56.1 22.3 19.9 52.8 -32.9 79 79 A N < + 0 0 0 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.818 26.2 170.7-104.9 126.6 18.5 52.2 -36.4 80 80 A H > + 0 0 94 -2,-0.5 3,-1.5 1,-0.1 4,-0.4 0.316 37.8 117.8-118.5 13.9 20.7 53.2 -39.3 81 81 A I T 3 S+ 0 0 65 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.810 86.2 37.5 -50.9 -35.9 18.9 51.7 -42.3 82 82 A W T >> S+ 0 0 35 1,-0.1 4,-1.1 -3,-0.1 3,-1.0 0.480 86.8 103.1-101.2 2.9 18.4 55.1 -44.0 83 83 A D H X> S+ 0 0 6 -3,-1.5 4,-2.9 1,-0.2 3,-0.7 0.883 72.7 56.9 -48.3 -55.5 21.7 56.8 -43.0 84 84 A E H 3> S+ 0 0 85 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.804 103.4 55.6 -55.7 -29.9 23.5 56.6 -46.3 85 85 A W H <> S+ 0 0 71 -3,-1.0 4,-0.9 2,-0.2 -1,-0.2 0.909 113.6 40.3 -73.8 -36.7 20.7 58.5 -48.2 86 86 A A H < S+ 0 0 13 -4,-1.4 3,-1.2 -3,-0.3 6,-0.5 0.908 109.4 49.5 -64.5 -49.2 25.5 66.0 -46.9 91 91 A V H 3< S+ 0 0 19 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.668 103.5 59.3 -69.6 -21.0 28.5 65.1 -48.9 92 92 A K T 3< S+ 0 0 158 -4,-0.9 -1,-0.3 -5,-0.2 2,-0.2 0.380 104.2 70.8 -90.2 8.5 27.2 66.6 -52.2 93 93 A S S X S- 0 0 25 -3,-1.2 3,-1.2 -4,-0.1 -3,-0.0 -0.721 89.9 -83.6-131.9-177.3 26.9 70.0 -50.5 94 94 A D T 3 S+ 0 0 147 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.610 110.2 45.3 -59.0 -34.4 28.5 73.2 -49.1 95 95 A E T 3 S+ 0 0 91 -5,-0.2 2,-1.2 1,-0.0 -1,-0.3 0.750 84.1 106.1 -84.9 -13.9 29.5 72.6 -45.4 96 96 A Y < + 0 0 27 -3,-1.2 2,-0.6 -6,-0.5 -1,-0.0 -0.400 39.0 161.7 -69.9 97.4 31.0 69.2 -46.3 97 97 A H + 0 0 148 -2,-1.2 -2,-0.0 0, 0.0 -3,-0.0 -0.999 37.6 97.2-113.6 110.3 34.6 70.1 -46.0 98 98 A G S S- 0 0 47 -2,-0.6 3,-0.1 1,-0.1 -2,-0.0 -0.964 70.4 -40.6-176.7-174.1 36.1 66.7 -45.7 99 99 A P S S- 0 0 57 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.116 74.1 -68.1 -61.8 172.7 37.8 63.9 -47.5 100 100 A D + 0 0 96 1,-0.2 0, 0.0 4,-0.0 0, 0.0 -0.495 66.0 153.9 -54.9 126.2 37.1 62.3 -50.9 101 101 A M > + 0 0 4 -2,-0.2 3,-1.2 -3,-0.1 -1,-0.2 0.450 19.8 113.9-145.6 5.0 33.7 60.7 -50.4 102 102 A T T 3 S+ 0 0 117 1,-0.2 5,-0.0 2,-0.1 -14,-0.0 -0.499 86.3 23.7 -83.2 151.9 31.7 60.3 -53.6 103 103 A D T >> S+ 0 0 110 -2,-0.1 4,-2.5 3,-0.1 3,-0.8 0.451 87.7 146.4 70.2 9.2 31.2 56.6 -54.8 104 104 A F H <> + 0 0 12 -3,-1.2 4,-2.7 1,-0.2 -2,-0.1 0.675 56.9 51.8 -47.2 -42.1 31.7 55.8 -51.1 105 105 A G H 3> S+ 0 0 21 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.888 116.3 40.1 -71.0 -40.4 29.4 52.8 -50.6 106 106 A H H X> S+ 0 0 69 -3,-0.8 4,-0.9 2,-0.2 3,-0.7 0.919 115.2 52.9 -69.4 -46.1 30.8 50.9 -53.5 107 107 A R H >< S+ 0 0 66 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.927 100.5 61.3 -58.2 -43.8 34.3 52.0 -52.6 108 108 A S H >< S+ 0 0 27 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.832 94.6 66.0 -49.4 -35.1 33.8 50.7 -49.0 109 109 A Q H << S+ 0 0 61 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.913 123.0 14.7 -53.6 -51.9 33.3 47.2 -50.6 110 110 A K T << S+ 0 0 158 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 -0.304 104.2 168.5-116.2 46.0 36.9 47.1 -51.8 111 111 A D < - 0 0 32 -3,-1.7 -3,-0.1 1,-0.1 -4,-0.0 -0.295 30.5-153.0 -69.1 137.8 38.0 50.0 -49.6 112 112 A P S > S- 0 0 76 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.201 76.4 -45.1 -61.7-153.7 41.4 51.2 -48.8 113 113 A E T >> S+ 0 0 122 1,-0.3 3,-1.8 2,-0.1 4,-1.2 0.807 126.2 95.5 -45.6 -29.7 41.9 53.0 -45.4 114 114 A F H 3> + 0 0 0 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.689 63.6 70.0 -34.1 -45.1 38.7 54.6 -46.7 115 115 A A H <> S+ 0 0 31 -3,-1.7 4,-2.7 1,-0.2 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