==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-DEC-95 1TSW . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR 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) . 15751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 69.6 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 . 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 . 34 10.8 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 . 7 2.2 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 1 1 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 0 126 0, 0.0 3,-1.3 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 171.5 4.4 28.0 -44.7 2 2 A L T 3 + 0 0 29 1,-0.3 4,-0.2 2,-0.1 37,-0.1 0.828 360.0 49.5 -61.1 -37.3 3.4 31.7 -45.0 3 3 A E T >> S+ 0 0 5 1,-0.2 4,-1.5 2,-0.1 3,-1.1 0.415 77.5 104.2 -87.0 5.2 6.6 32.9 -46.5 4 4 A Q H <> S+ 0 0 56 -3,-1.3 4,-3.2 1,-0.3 5,-0.3 0.874 71.3 63.4 -54.0 -42.1 6.8 30.3 -49.3 5 5 A P H 3> S+ 0 0 32 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.884 104.7 48.9 -51.0 -37.0 5.7 32.7 -52.0 6 6 A Y H <> S+ 0 0 0 -3,-1.1 4,-2.2 2,-0.2 3,-0.5 0.958 111.8 46.1 -66.2 -52.9 8.9 34.6 -51.3 7 7 A L H X S+ 0 0 5 -4,-1.5 4,-2.6 1,-0.3 -1,-0.2 0.876 111.0 53.9 -58.7 -36.4 11.1 31.6 -51.4 8 8 A D H X S+ 0 0 76 -4,-3.2 4,-2.6 2,-0.2 -1,-0.3 0.835 106.2 53.1 -67.1 -30.8 9.3 30.5 -54.6 9 9 A L H X S+ 0 0 0 -4,-1.4 4,-2.4 -3,-0.5 -2,-0.2 0.942 109.6 47.9 -67.6 -47.6 10.2 34.0 -56.1 10 10 A A H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.921 113.1 48.3 -57.9 -46.7 13.8 33.4 -55.3 11 11 A K H >X S+ 0 0 84 -4,-2.6 4,-1.9 1,-0.2 3,-0.5 0.959 111.9 49.1 -58.3 -53.0 13.8 30.0 -56.8 12 12 A K H 3X>S+ 0 0 70 -4,-2.6 4,-3.1 1,-0.3 5,-0.5 0.847 108.3 52.2 -57.0 -41.7 12.0 31.2 -60.0 13 13 A V H 3X5S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -1,-0.3 0.823 110.9 49.7 -66.5 -30.5 14.4 34.1 -60.5 14 14 A L H <<5S+ 0 0 48 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.854 119.4 35.6 -75.1 -36.9 17.3 31.7 -60.3 15 15 A D H <5S+ 0 0 135 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.865 135.0 20.4 -85.0 -40.4 15.9 29.2 -62.8 16 16 A E H <5S+ 0 0 117 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.497 90.3 120.6-108.7 -8.5 14.2 31.5 -65.3 17 17 A G << - 0 0 21 -4,-0.9 2,-0.4 -5,-0.5 14,-0.2 -0.341 51.2-146.2 -63.3 135.7 15.9 34.8 -64.7 18 18 A H E -A 30 0A 114 12,-2.2 12,-2.3 -2,-0.1 2,-0.1 -0.841 27.7-101.8-103.2 138.8 17.7 36.3 -67.6 19 19 A F E +A 29 0A 121 -2,-0.4 10,-0.2 10,-0.2 -1,-0.0 -0.380 46.3 179.1 -59.4 132.5 20.9 38.2 -67.1 20 20 A K E -A 28 0A 95 8,-2.6 8,-1.0 -2,-0.1 2,-0.2 -0.975 26.2-131.1-143.4 121.8 20.2 42.0 -67.4 21 21 A P - 0 0 102 0, 0.0 2,-0.2 0, 0.0 4,-0.1 -0.521 34.7-170.5 -69.4 138.7 22.6 44.9 -67.0 22 22 A D - 0 0 46 2,-0.8 4,-0.0 -2,-0.2 5,-0.0 -0.530 43.2 -68.2-120.5-170.5 21.3 47.5 -64.6 23 23 A R S S+ 0 0 249 -2,-0.2 2,-0.3 2,-0.1 0, 0.0 0.557 118.2 51.9 -55.7 -10.9 22.0 51.1 -63.3 24 24 A T S S- 0 0 21 2,-0.2 2,-1.3 291,-0.0 -2,-0.8 -0.911 92.7-112.1-128.1 156.7 25.1 49.7 -61.6 25 25 A H S S+ 0 0 201 -2,-0.3 2,-0.4 291,-0.2 -2,-0.1 -0.214 92.6 91.8 -84.5 48.0 28.0 47.6 -62.9 26 26 A T S S- 0 0 50 -2,-1.3 -2,-0.2 -4,-0.0 -4,-0.1 -0.916 80.0-128.7-139.8 99.8 27.0 44.5 -60.8 27 27 A G - 0 0 16 -2,-0.4 235,-2.1 234,-0.1 236,-0.3 0.159 19.1-151.0 -48.2 168.7 24.7 42.4 -63.0 28 28 A T E -AB 20 261A 3 -8,-1.0 -8,-2.6 233,-0.3 2,-0.5 -0.944 15.7-135.0-142.5 156.1 21.3 41.0 -62.1 29 29 A Y E -AB 19 260A 73 231,-2.5 231,-2.6 -2,-0.3 2,-0.3 -0.979 43.3-174.2-108.5 126.0 19.2 38.0 -63.0 30 30 A S E -AB 18 259A 2 -12,-2.3 -12,-2.2 -2,-0.5 2,-0.3 -0.909 26.9-171.9-133.2 157.4 15.7 39.4 -63.7 31 31 A I E - B 0 258A 10 227,-1.9 227,-2.3 -2,-0.3 2,-0.5 -0.939 19.1-138.5-135.7 157.7 12.1 38.5 -64.5 32 32 A F E + B 0 257A 159 -2,-0.3 225,-0.2 1,-0.2 224,-0.1 -0.976 69.6 19.3-126.5 122.1 9.2 40.7 -65.5 33 33 A G E + 0 0 44 223,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.753 65.5 156.1 89.1 102.9 5.7 40.3 -64.1 34 34 A H E - B 0 255A 36 221,-1.3 221,-3.5 -3,-0.1 2,-0.3 -0.983 17.6-169.4-155.8 149.9 5.0 38.4 -60.9 35 35 A Q E + B 0 254A 101 -2,-0.3 2,-0.3 219,-0.3 219,-0.2 -0.999 6.8 173.6-146.9 135.8 2.4 38.3 -58.2 36 36 A M E - B 0 253A 11 217,-2.0 217,-3.2 -2,-0.3 2,-0.4 -0.977 14.6-150.1-140.6 149.3 2.2 36.6 -54.8 37 37 A R E - B 0 252A 113 -2,-0.3 2,-0.4 215,-0.2 215,-0.2 -0.956 2.7-159.7-126.5 144.7 -0.3 36.7 -52.1 38 38 A F E - B 0 251A 3 213,-2.4 213,-2.5 -2,-0.4 2,-1.0 -0.990 17.9-137.0-123.2 128.8 -0.1 36.4 -48.3 39 39 A D E > - B 0 250A 54 -2,-0.4 3,-2.0 211,-0.2 4,-0.4 -0.747 13.3-162.7 -87.1 104.2 -3.1 35.6 -46.1 40 40 A L T 3 S+ 0 0 6 209,-1.5 3,-0.2 -2,-1.0 -1,-0.2 0.590 84.7 68.2 -64.5 -11.7 -2.7 37.9 -43.2 41 41 A S T 3 S+ 0 0 60 208,-0.5 -1,-0.3 1,-0.2 3,-0.1 0.656 95.8 56.7 -80.3 -16.0 -5.1 35.8 -41.1 42 42 A K S < S- 0 0 142 -3,-2.0 2,-0.2 1,-0.4 237,-0.2 0.624 125.9 -71.5 -87.4 -17.5 -2.5 33.1 -41.1 43 43 A G - 0 0 10 -4,-0.4 -1,-0.4 -3,-0.2 238,-0.2 -0.828 61.1 -54.1 147.7 175.8 0.1 35.3 -39.5 44 44 A F - 0 0 2 236,-2.8 2,-2.3 -2,-0.2 187,-0.1 -0.761 47.3-130.2 -88.9 124.3 2.5 38.3 -40.2 45 45 A P + 0 0 3 0, 0.0 2,-0.6 0, 0.0 189,-0.1 -0.262 55.2 140.2 -70.2 53.1 4.7 37.7 -43.3 46 46 A L - 0 0 1 -2,-2.3 -43,-0.1 234,-0.1 182,-0.1 -0.887 62.7-104.7 -98.4 122.6 8.0 38.6 -41.7 47 47 A L - 0 0 2 -2,-0.6 5,-0.4 180,-0.2 3,-0.1 -0.163 33.6-176.2 -49.7 131.2 10.7 36.2 -43.0 48 48 A T S S+ 0 0 0 229,-0.1 259,-2.4 1,-0.1 -1,-0.2 0.615 76.4 76.4-100.0 -20.4 11.7 33.6 -40.5 49 49 A T S S+ 0 0 0 257,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.522 113.1 13.3 -68.5 -4.3 14.4 32.2 -42.9 50 50 A K S S- 0 0 14 257,-0.1 2,-0.4 -3,-0.1 259,-0.2 -0.905 91.8 -96.5-169.2 141.7 16.5 35.2 -41.9 51 51 A K - 0 0 127 256,-0.5 259,-0.3 -2,-0.3 -3,-0.1 -0.514 39.5-170.1 -67.0 118.5 16.4 37.9 -39.2 52 52 A V - 0 0 5 -5,-0.4 2,-1.6 -2,-0.4 3,-0.1 -0.957 29.1-116.2-114.0 131.3 14.7 41.0 -40.5 53 53 A P >> + 0 0 59 0, 0.0 4,-1.3 0, 0.0 3,-0.9 -0.451 32.6 179.0 -67.1 88.0 14.8 44.3 -38.4 54 54 A F H 3> S+ 0 0 18 -2,-1.6 4,-2.8 1,-0.2 3,-0.2 0.888 76.8 65.0 -58.3 -38.4 11.1 44.8 -37.7 55 55 A G H 3> S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.859 101.8 48.3 -52.2 -40.1 12.0 48.0 -35.7 56 56 A L H <> S+ 0 0 47 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.869 111.3 50.0 -69.0 -37.9 13.3 49.7 -38.9 57 57 A I H X S+ 0 0 1 -4,-1.3 4,-1.9 -3,-0.2 -2,-0.2 0.902 112.5 47.8 -66.5 -41.7 10.2 48.7 -40.8 58 58 A K H X S+ 0 0 33 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.957 113.2 45.8 -65.8 -51.8 7.9 50.0 -38.0 59 59 A S H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.925 112.8 50.2 -59.8 -46.2 9.7 53.4 -37.6 60 60 A E H X S+ 0 0 26 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.884 111.5 48.7 -61.0 -40.5 9.9 54.0 -41.4 61 61 A L H X S+ 0 0 2 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.886 109.8 50.3 -68.3 -39.2 6.2 53.3 -41.8 62 62 A L H X S+ 0 0 2 -4,-2.3 4,-1.6 2,-0.2 6,-0.2 0.877 108.2 54.9 -64.3 -35.8 5.2 55.6 -39.0 63 63 A W H <>S+ 0 0 0 -4,-2.1 5,-1.9 -5,-0.2 4,-0.3 0.934 110.3 46.2 -59.9 -46.1 7.4 58.2 -40.6 64 64 A F H ><5S+ 0 0 9 -4,-1.9 3,-2.2 1,-0.2 -2,-0.2 0.954 110.7 51.3 -61.2 -53.3 5.3 57.7 -43.8 65 65 A L H 3<5S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.735 104.6 58.3 -57.1 -28.0 2.0 57.8 -42.0 66 66 A H T 3<5S- 0 0 63 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.542 110.8-121.3 -81.1 -6.3 2.9 61.1 -40.3 67 67 A G T < 5 + 0 0 27 -3,-2.2 2,-0.2 -4,-0.3 -3,-0.2 0.741 61.3 156.4 70.1 23.3 3.4 62.7 -43.7 68 68 A D < + 0 0 47 -5,-1.9 79,-0.4 -6,-0.2 -1,-0.3 -0.552 28.4 171.7 -85.0 144.0 6.9 63.3 -42.5 69 69 A T + 0 0 22 -2,-0.2 73,-2.7 78,-0.2 2,-0.6 0.171 48.3 104.6-134.1 11.0 9.8 63.8 -45.0 70 70 A N B > -F 141 0B 29 71,-0.2 3,-1.4 72,-0.1 4,-0.5 -0.880 62.6-146.4-104.3 123.0 12.5 64.8 -42.6 71 71 A I T >> S+ 0 0 0 69,-2.9 4,-2.3 -2,-0.6 3,-0.9 0.732 86.4 84.4 -55.7 -25.1 15.2 62.3 -41.8 72 72 A R H 3> S+ 0 0 49 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.852 86.3 55.2 -48.0 -42.2 15.5 63.7 -38.2 73 73 A F H <4 S+ 0 0 32 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.893 109.3 47.1 -59.1 -42.2 12.6 61.5 -37.1 74 74 A L H X4>S+ 0 0 0 -3,-0.9 5,-2.4 -4,-0.5 3,-1.8 0.912 110.3 51.2 -66.9 -43.4 14.3 58.4 -38.4 75 75 A L H ><5S+ 0 0 13 -4,-2.3 3,-1.8 1,-0.3 -2,-0.2 0.875 102.2 61.6 -62.5 -35.1 17.6 59.3 -36.8 76 76 A Q T 3<5S+ 0 0 107 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.478 108.0 46.1 -69.2 -2.5 15.8 59.8 -33.5 77 77 A H T < 5S- 0 0 57 -3,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.100 118.6-105.9-126.0 19.0 14.9 56.1 -33.8 78 78 A R T < 5S+ 0 0 217 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.829 77.3 139.3 59.5 33.1 18.3 54.7 -34.7 79 79 A N < + 0 0 0 -5,-2.4 3,-0.2 -8,-0.1 -1,-0.2 -0.921 24.3 169.6-113.9 111.3 17.0 54.2 -38.3 80 80 A H > + 0 0 97 -2,-0.6 3,-1.0 1,-0.2 4,-0.4 0.203 36.7 119.7-107.2 19.0 19.5 55.1 -41.0 81 81 A I T 3 S+ 0 0 68 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 0.830 84.7 32.5 -51.9 -41.1 17.6 53.8 -44.1 82 82 A W T >> S+ 0 0 36 -3,-0.2 4,-1.2 1,-0.2 3,-1.1 0.454 84.5 106.9-100.7 1.2 17.4 57.2 -45.9 83 83 A D H X> S+ 0 0 7 -3,-1.0 4,-3.1 1,-0.2 3,-0.6 0.870 74.0 59.9 -44.0 -52.7 20.7 58.9 -44.7 84 84 A E H 3> S+ 0 0 71 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.835 102.3 52.2 -46.4 -44.2 22.4 58.5 -48.0 85 85 A W H <> S+ 0 0 88 -3,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.888 114.6 41.1 -64.9 -39.8 19.8 60.6 -49.9 86 86 A A H < S+ 0 0 23 -4,-2.2 3,-1.7 1,-0.2 6,-0.3 0.937 108.3 47.6 -61.4 -52.4 24.5 67.9 -48.2 91 91 A V H 3< S+ 0 0 13 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.885 111.2 51.4 -58.4 -41.6 27.8 67.0 -49.8 92 92 A K T 3< S+ 0 0 111 -4,-1.6 -1,-0.3 -5,-0.3 2,-0.2 0.341 92.7 108.3 -79.1 8.3 26.8 68.7 -53.1 93 93 A S S X S- 0 0 23 -3,-1.7 3,-1.6 1,-0.1 -3,-0.0 -0.600 79.8-123.0 -88.7 151.3 25.9 71.8 -51.1 94 94 A D T 3 S+ 0 0 143 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.1 0.469 111.3 58.8 -68.8 -1.4 27.8 75.1 -51.3 95 95 A E T 3 S+ 0 0 107 -5,-0.3 -1,-0.3 2,-0.0 2,-0.3 0.542 77.2 110.9-103.7 -11.2 28.2 74.9 -47.5 96 96 A Y < + 0 0 22 -3,-1.6 2,-0.3 -6,-0.3 -5,-0.0 -0.473 40.2 178.3 -70.0 128.0 29.9 71.5 -47.4 97 97 A H + 0 0 169 -2,-0.3 -1,-0.1 2,-0.0 3,-0.0 -0.739 41.5 75.2-134.2 85.6 33.6 71.8 -46.2 98 98 A G S S- 0 0 36 -2,-0.3 -2,-0.0 -7,-0.1 0, 0.0 -0.941 85.7 -24.4-169.0-175.6 35.3 68.4 -46.1 99 99 A P S S- 0 0 61 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.107 73.8 -97.6 -48.0 142.4 36.8 65.6 -48.2 100 100 A D - 0 0 96 1,-0.1 3,-0.1 -3,-0.0 4,-0.1 0.712 41.8-177.6 -25.9 -67.6 35.5 65.4 -51.8 101 101 A M > + 0 0 0 1,-0.2 3,-1.6 2,-0.1 2,-0.2 0.566 15.4 164.7 68.5 10.0 32.9 62.6 -51.4 102 102 A T T 3 S- 0 0 76 1,-0.3 -1,-0.2 2,-0.1 5,-0.2 -0.435 77.4 -3.8 -61.1 121.2 32.0 62.7 -55.2 103 103 A D T 3> S+ 0 0 79 -2,-0.2 4,-1.8 -3,-0.1 -1,-0.3 0.908 80.6 175.2 60.4 44.5 30.1 59.4 -55.8 104 104 A F H <> + 0 0 8 -3,-1.6 4,-2.5 1,-0.2 5,-0.2 0.832 69.0 64.6 -48.5 -38.1 30.6 58.3 -52.2 105 105 A G H > S+ 0 0 13 2,-0.2 4,-1.0 -4,-0.2 3,-0.4 0.967 106.4 35.6 -50.5 -70.1 28.4 55.3 -52.9 106 106 A H H 4 S+ 0 0 86 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.921 120.8 49.7 -51.9 -50.6 30.5 53.4 -55.4 107 107 A R H >X S+ 0 0 89 -4,-1.8 4,-1.4 1,-0.2 3,-1.0 0.775 97.8 65.3 -64.1 -33.2 33.8 54.4 -53.8 108 108 A S H 3< S+ 0 0 20 -4,-2.5 3,-0.3 -3,-0.4 7,-0.3 0.895 98.1 54.0 -60.3 -40.5 33.0 53.4 -50.2 109 109 A Q T 3< S+ 0 0 114 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.625 116.6 37.7 -70.5 -13.8 32.7 49.7 -50.9 110 110 A K T <4 S+ 0 0 183 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.561 102.6 77.6-114.8 -10.9 36.2 49.6 -52.6 111 111 A D < - 0 0 60 -4,-1.4 4,-0.5 -3,-0.3 5,-0.0 -0.777 59.7-148.4-108.5 149.4 38.3 52.0 -50.4 112 112 A P S > S+ 0 0 116 0, 0.0 4,-0.8 0, 0.0 3,-0.5 0.970 92.1 10.1 -72.1 -88.5 40.0 51.5 -47.0 113 113 A E H > S+ 0 0 136 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.727 118.8 72.7 -69.7 -20.6 40.2 54.8 -45.0 114 114 A F H > S+ 0 0 40 1,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.949 97.7 48.4 -57.8 -46.7 37.9 56.5 -47.5 115 115 A A H > S+ 0 0 18 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