==== 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 05-DEC-95 1TSX . 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) . 15323.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 73.1 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 . 32 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 30.7 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 0 1 1 2 1 1 0 1 1 1 0 0 0 0 1 0 1 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 0 139 0, 0.0 3,-1.1 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 168.5 4.4 28.2 -44.7 2 2 A L T 3 + 0 0 33 1,-0.3 4,-0.2 2,-0.1 37,-0.1 0.891 360.0 44.4 -58.0 -44.5 3.5 31.9 -44.7 3 3 A E T >> S+ 0 0 6 1,-0.2 4,-1.6 2,-0.1 3,-1.4 0.486 80.8 105.4 -84.4 1.1 6.7 33.1 -46.3 4 4 A Q H <> S+ 0 0 51 -3,-1.1 4,-3.5 1,-0.3 5,-0.3 0.865 71.3 61.8 -48.7 -44.4 6.9 30.4 -48.9 5 5 A P H 3> S+ 0 0 37 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.863 105.1 48.8 -52.8 -36.2 5.8 32.8 -51.7 6 6 A Y H <> S+ 0 0 0 -3,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.951 112.8 45.9 -67.2 -50.8 9.0 34.8 -51.1 7 7 A L H X S+ 0 0 4 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.913 112.8 51.4 -58.4 -41.7 11.2 31.7 -51.1 8 8 A D H X S+ 0 0 80 -4,-3.5 4,-2.8 1,-0.2 -1,-0.2 0.866 106.3 54.7 -64.7 -33.6 9.4 30.5 -54.2 9 9 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.2 0.925 109.7 46.8 -65.2 -43.6 10.1 33.9 -55.8 10 10 A A H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.884 111.1 51.4 -62.2 -47.0 13.8 33.5 -55.1 11 11 A K H >X S+ 0 0 80 -4,-2.4 4,-1.7 2,-0.2 3,-0.9 0.984 112.3 48.1 -52.7 -55.3 13.8 30.0 -56.5 12 12 A K H 3X S+ 0 0 71 -4,-2.8 4,-2.9 1,-0.3 5,-0.3 0.884 107.7 51.5 -54.7 -51.4 12.1 31.3 -59.6 13 13 A V H 3X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 -1,-0.3 0.769 111.6 51.6 -60.0 -24.0 14.5 34.2 -60.3 14 14 A L H << S+ 0 0 46 -4,-1.3 -1,-0.2 -3,-0.9 -2,-0.2 0.849 115.0 40.0 -79.6 -36.5 17.3 31.7 -60.0 15 15 A D H < S+ 0 0 127 -4,-1.7 -2,-0.2 -3,-0.3 -3,-0.2 0.821 135.1 12.0 -82.0 -39.1 15.8 29.3 -62.5 16 16 A E H < S+ 0 0 118 -4,-2.9 2,-0.3 -5,-0.2 -3,-0.2 0.149 88.1 122.4-131.5 23.2 14.5 31.6 -65.2 17 17 A G < - 0 0 17 -4,-0.7 2,-0.4 -5,-0.3 14,-0.2 -0.661 50.4-145.8 -84.4 139.8 15.8 35.0 -64.4 18 18 A H E -A 30 0A 110 12,-1.8 12,-2.1 -2,-0.3 -2,-0.1 -0.867 25.9 -97.2-109.0 144.3 17.8 36.4 -67.4 19 19 A F E +A 29 0A 126 -2,-0.4 10,-0.2 10,-0.2 -1,-0.0 -0.340 47.6 176.0 -58.8 131.8 20.8 38.6 -67.0 20 20 A K E -A 28 0A 99 8,-1.2 8,-0.7 -2,-0.0 2,-0.0 -0.984 28.4-123.0-143.1 123.8 19.8 42.2 -67.3 21 21 A P - 0 0 98 0, 0.0 2,-0.3 0, 0.0 8,-0.0 -0.359 31.4-162.4 -64.5 151.8 22.2 45.1 -66.9 22 22 A D > - 0 0 34 -2,-0.0 3,-1.7 6,-0.0 5,-0.2 -0.881 35.6 -93.1-133.7 169.0 21.3 47.7 -64.2 23 23 A R T 3 S+ 0 0 179 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 0.681 126.2 42.2 -54.1 -23.4 22.1 51.3 -63.3 24 24 A T T 3 S- 0 0 50 292,-0.2 -1,-0.3 291,-0.1 292,-0.0 0.514 100.4-134.3-102.5 -6.1 24.8 50.1 -60.8 25 25 A H < + 0 0 169 -3,-1.7 -2,-0.1 1,-0.1 3,-0.0 0.697 67.5 127.7 57.3 26.9 26.2 47.4 -63.1 26 26 A T S S- 0 0 33 290,-0.1 236,-1.0 1,-0.1 237,-0.4 0.264 73.3-119.1 -91.1 10.3 26.3 44.9 -60.3 27 27 A G - 0 0 4 -5,-0.2 235,-1.5 234,-0.2 2,-0.3 0.540 30.8-149.7 63.0 145.1 24.4 42.6 -62.6 28 28 A T E -AB 20 261A 2 -8,-0.7 -8,-1.2 233,-0.3 2,-0.5 -0.901 17.1-136.8-142.2 164.7 21.0 41.2 -61.9 29 29 A Y E -AB 19 260A 72 231,-0.9 231,-2.1 -2,-0.3 2,-0.3 -0.997 43.4-169.3-121.4 114.4 18.9 38.1 -62.7 30 30 A S E -AB 18 259A 1 -12,-2.1 -12,-1.8 -2,-0.5 2,-0.3 -0.767 28.8-179.7-114.9 163.2 15.5 39.5 -63.6 31 31 A I E - B 0 258A 10 227,-1.5 227,-1.1 -2,-0.3 2,-0.4 -0.906 21.6-141.6-145.7 155.4 11.9 38.5 -64.2 32 32 A F E + B 0 257A 163 -2,-0.3 225,-0.2 1,-0.3 224,-0.1 -0.997 68.6 18.9-126.8 123.1 9.1 40.9 -65.1 33 33 A G E + 0 0 42 223,-1.9 2,-0.3 -2,-0.4 -1,-0.3 0.709 65.1 151.0 87.3 114.5 5.6 40.4 -63.7 34 34 A H E - B 0 255A 45 221,-1.0 221,-2.6 -3,-0.1 2,-0.3 -0.950 23.2-156.3-169.2 153.3 4.9 38.3 -60.7 35 35 A Q E - B 0 254A 98 -2,-0.3 2,-0.4 219,-0.2 219,-0.2 -0.996 8.0-179.2-145.4 130.6 2.3 38.2 -57.9 36 36 A M E - B 0 253A 7 217,-1.9 217,-3.7 -2,-0.3 2,-0.3 -0.975 11.3-158.2-126.1 140.8 2.4 36.8 -54.3 37 37 A R E - B 0 252A 116 -2,-0.4 2,-0.4 215,-0.3 215,-0.2 -0.861 0.5-158.6-118.2 154.7 -0.4 36.9 -51.9 38 38 A F E - B 0 251A 5 213,-1.6 213,-2.2 -2,-0.3 2,-1.4 -0.980 15.5-140.1-134.3 123.7 -0.3 36.6 -48.1 39 39 A D E > - B 0 250A 57 -2,-0.4 3,-2.5 211,-0.2 4,-0.3 -0.683 16.1-167.9 -83.0 95.8 -3.2 35.6 -45.8 40 40 A L G > S+ 0 0 6 -2,-1.4 3,-1.4 209,-1.4 -1,-0.2 0.750 80.6 71.6 -57.5 -22.7 -2.7 37.9 -43.0 41 41 A S G 3 S+ 0 0 54 208,-0.7 -1,-0.3 1,-0.3 3,-0.1 0.625 96.9 54.9 -67.5 -12.2 -5.3 36.0 -40.8 42 42 A K G < S- 0 0 148 -3,-2.5 -1,-0.3 1,-0.4 2,-0.2 0.498 123.3 -60.4-100.1 -7.8 -2.6 33.3 -40.7 43 43 A G < - 0 0 10 -3,-1.4 -1,-0.4 -4,-0.3 238,-0.2 -0.744 61.3 -63.5 146.5 165.9 0.3 35.3 -39.3 44 44 A F - 0 0 1 236,-2.7 2,-2.3 -2,-0.2 187,-0.1 -0.769 43.6-133.0 -87.6 121.6 2.6 38.3 -39.9 45 45 A P + 0 0 4 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.199 55.4 139.2 -66.5 45.1 4.8 37.7 -43.0 46 46 A L - 0 0 1 -2,-2.3 -43,-0.1 234,-0.1 2,-0.1 -0.830 65.7-102.8 -89.3 128.3 8.1 38.8 -41.4 47 47 A L - 0 0 2 -2,-0.5 5,-0.4 180,-0.2 3,-0.3 -0.324 34.5-174.5 -57.2 124.8 10.7 36.3 -42.7 48 48 A T S S+ 0 0 0 229,-0.2 259,-1.5 1,-0.2 -1,-0.2 0.673 77.8 73.4 -90.8 -18.6 11.6 33.6 -40.2 49 49 A T S S+ 0 0 0 257,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.441 113.8 13.7 -77.1 5.8 14.4 32.2 -42.5 50 50 A K S S- 0 0 13 -3,-0.3 2,-0.4 257,-0.1 259,-0.2 -0.886 92.8 -96.2-174.5 139.6 16.5 35.2 -41.7 51 51 A K - 0 0 124 256,-0.5 259,-0.2 -2,-0.3 -3,-0.1 -0.581 37.1-169.9 -68.2 119.6 16.4 38.0 -39.0 52 52 A V - 0 0 3 -2,-0.4 2,-1.2 -5,-0.4 3,-0.1 -0.961 28.5-119.8-113.8 119.9 14.6 41.1 -40.3 53 53 A P >> - 0 0 58 0, 0.0 4,-0.9 0, 0.0 3,-0.9 -0.400 27.6-174.0 -62.2 94.5 14.8 44.2 -38.0 54 54 A F H 3> S+ 0 0 19 -2,-1.2 4,-2.4 1,-0.2 3,-0.2 0.779 78.0 67.7 -60.8 -27.9 11.2 44.9 -37.4 55 55 A G H 3> S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.883 97.3 51.0 -61.7 -39.2 12.1 48.2 -35.6 56 56 A L H <> S+ 0 0 50 -3,-0.9 4,-1.4 1,-0.2 -1,-0.2 0.819 110.5 50.7 -67.4 -30.6 13.4 49.8 -38.8 57 57 A I H X S+ 0 0 0 -4,-0.9 4,-2.6 2,-0.2 5,-0.2 0.949 110.5 48.5 -72.4 -46.7 10.1 48.9 -40.5 58 58 A K H X S+ 0 0 29 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.947 114.1 43.6 -55.0 -63.0 7.9 50.4 -37.6 59 59 A S H X S+ 0 0 3 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.870 115.3 49.2 -55.0 -41.1 9.7 53.7 -37.4 60 60 A E H X S+ 0 0 22 -4,-1.4 4,-2.3 -5,-0.2 -1,-0.2 0.919 112.1 46.8 -67.9 -45.4 9.9 54.1 -41.1 61 61 A L H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.926 113.6 49.4 -62.1 -44.5 6.2 53.3 -41.7 62 62 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 6,-0.3 0.907 107.1 54.6 -60.0 -43.2 5.2 55.7 -38.8 63 63 A W H <>S+ 0 0 0 -4,-2.3 5,-1.7 -5,-0.2 4,-0.5 0.948 110.7 46.9 -55.2 -45.7 7.4 58.4 -40.3 64 64 A F H ><5S+ 0 0 6 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.954 110.5 52.2 -60.1 -52.4 5.4 57.9 -43.6 65 65 A L H 3<5S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.716 104.3 56.0 -56.5 -29.6 2.1 58.0 -41.7 66 66 A H T 3<5S- 0 0 68 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.581 112.7-120.7 -80.3 -9.3 2.9 61.3 -40.0 67 67 A G T < 5 + 0 0 23 -3,-2.0 -3,-0.2 -4,-0.5 -2,-0.1 0.661 59.6 160.0 76.2 18.6 3.5 62.8 -43.4 68 68 A D < + 0 0 45 -5,-1.7 79,-0.4 -6,-0.3 -1,-0.2 -0.391 29.0 175.0 -76.3 146.9 7.0 63.5 -42.3 69 69 A T + 0 0 25 78,-0.2 73,-2.5 -2,-0.1 2,-0.5 0.337 50.7 101.9-130.3 -2.3 9.8 64.1 -44.8 70 70 A N B > -F 141 0B 27 71,-0.3 3,-1.1 72,-0.1 4,-0.5 -0.779 61.9-148.5 -94.9 130.5 12.6 64.9 -42.3 71 71 A I T >> S+ 0 0 0 69,-3.0 4,-2.0 -2,-0.5 3,-1.2 0.801 86.2 84.2 -63.2 -30.6 15.2 62.4 -41.5 72 72 A R H 3> S+ 0 0 57 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.827 86.4 55.9 -41.7 -44.8 15.6 63.8 -38.0 73 73 A F H <> S+ 0 0 28 -3,-1.1 4,-0.5 2,-0.2 -1,-0.3 0.912 109.3 45.9 -57.2 -44.3 12.6 61.7 -36.9 74 74 A L H X4>S+ 0 0 0 -3,-1.2 5,-2.6 -4,-0.5 3,-2.1 0.950 109.3 52.9 -65.0 -50.8 14.3 58.5 -38.1 75 75 A L H ><5S+ 0 0 12 -4,-2.0 3,-1.8 1,-0.3 -1,-0.2 0.797 99.9 64.9 -55.9 -30.0 17.7 59.3 -36.5 76 76 A Q H 3<5S+ 0 0 112 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.777 110.0 37.3 -64.5 -27.4 15.9 59.8 -33.2 77 77 A H T <<5S- 0 0 58 -3,-2.1 -1,-0.3 -4,-0.5 -2,-0.2 -0.097 122.7-108.0-111.4 29.4 15.0 56.1 -33.3 78 78 A R T < 5 + 0 0 198 -3,-1.8 2,-0.6 1,-0.2 -3,-0.3 0.788 69.4 149.4 48.4 35.9 18.4 55.2 -34.8 79 79 A N < + 0 0 0 -5,-2.6 -1,-0.2 -8,-0.2 -2,-0.2 -0.885 17.1 170.9 -98.4 120.9 16.9 54.5 -38.2 80 80 A H > + 0 0 94 -2,-0.6 3,-1.6 -3,-0.1 4,-0.4 0.359 38.4 115.2-112.5 5.8 19.5 55.3 -40.9 81 81 A I T 3 S+ 0 0 72 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.831 88.0 33.3 -43.2 -44.0 17.8 53.9 -44.0 82 82 A W T >> S+ 0 0 41 1,-0.2 3,-1.5 -3,-0.1 4,-1.2 0.474 85.1 109.6 -97.2 -0.4 17.4 57.3 -45.6 83 83 A D H <> S+ 0 0 4 -3,-1.6 4,-2.8 1,-0.3 -1,-0.2 0.770 73.5 56.3 -44.7 -38.8 20.5 58.9 -44.3 84 84 A E H 3> S+ 0 0 89 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.3 0.758 98.2 57.1 -72.0 -27.3 22.3 59.0 -47.6 85 85 A W H <> S+ 0 0 95 -3,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.947 116.1 38.8 -68.5 -42.2 19.7 60.9 -49.7 86 86 A A H X S+ 0 0 0 -4,-1.2 4,-1.6 1,-0.2 3,-0.5 0.957 114.0 54.0 -68.8 -51.5 20.1 63.7 -47.1 87 87 A F H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.848 101.6 61.2 -50.7 -40.9 23.8 63.3 -46.8 88 88 A E H X S+ 0 0 51 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.946 103.7 48.6 -52.0 -53.1 24.1 63.6 -50.5 89 89 A K H < S+ 0 0 99 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.877 111.3 49.0 -55.2 -47.1 22.7 67.2 -50.4 90 90 A W H >< S+ 0 0 15 -4,-1.6 3,-1.6 1,-0.2 6,-0.3 0.946 111.6 50.3 -59.0 -49.4 25.0 68.2 -47.6 91 91 A V H 3< S+ 0 0 15 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.877 112.3 45.8 -57.7 -42.0 28.0 66.8 -49.5 92 92 A K T 3< S+ 0 0 115 -4,-2.4 2,-0.3 -5,-0.2 -1,-0.3 0.166 94.8 107.6 -89.8 19.7 27.1 68.7 -52.8 93 93 A S S X S- 0 0 21 -3,-1.6 3,-1.8 -5,-0.1 -3,-0.0 -0.772 74.0-130.7-103.6 147.3 26.4 72.0 -51.0 94 94 A D T 3 S+ 0 0 143 -2,-0.3 -1,-0.1 1,-0.3 -4,-0.1 0.624 110.6 62.3 -63.6 -15.0 28.5 75.2 -51.0 95 95 A E T 3 S+ 0 0 84 -5,-0.1 2,-0.8 2,-0.0 -1,-0.3 0.711 82.0 95.4 -81.2 -21.3 28.2 75.2 -47.2 96 96 A Y < + 0 0 27 -3,-1.8 2,-0.6 -6,-0.3 -5,-0.0 -0.597 50.4 173.6 -74.2 107.2 30.0 71.9 -47.2 97 97 A H + 0 0 170 -2,-0.8 -1,-0.1 0, 0.0 -3,-0.1 -0.762 42.7 75.4-119.0 81.8 33.7 72.8 -46.6 98 98 A G S S- 0 0 45 -2,-0.6 3,-0.1 1,-0.1 -2,-0.0 -0.844 79.6 -14.5-160.5-162.1 35.5 69.5 -46.2 99 99 A P S S- 0 0 54 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.092 70.8 -95.5 -55.7 147.1 36.9 66.3 -47.9 100 100 A D + 0 0 116 1,-0.1 2,-0.2 2,-0.0 -9,-0.0 -0.521 41.6 178.4 -66.5 107.8 36.0 65.4 -51.4 101 101 A M > - 0 0 7 -2,-0.6 3,-1.2 -10,-0.2 2,-0.6 -0.381 3.5-179.1-109.3 51.8 33.1 62.8 -51.2 102 102 A T T 3 S- 0 0 86 1,-0.3 5,-0.3 -2,-0.2 -2,-0.0 -0.384 79.8 -33.5 -57.6 106.8 32.5 62.2 -54.9 103 103 A D T >> S- 0 0 58 -2,-0.6 4,-0.9 1,-0.1 3,-0.8 0.905 75.8-157.0 31.2 63.7 29.6 59.8 -54.6 104 104 A F H <> S+ 0 0 4 -3,-1.2 4,-3.4 1,-0.2 5,-0.4 0.758 76.0 78.2 -25.6 -48.5 31.0 58.3 -51.4 105 105 A G H 3> S+ 0 0 13 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.842 99.1 34.4 -35.9 -69.7 29.1 55.1 -52.0 106 106 A H H <> S+ 0 0 103 -3,-0.8 4,-0.5 1,-0.2 -1,-0.2 0.828 122.3 47.7 -61.6 -34.0 31.3 53.4 -54.6 107 107 A R H X S+ 0 0 93 -4,-0.9 4,-2.5 -3,-0.3 3,-0.3 0.811 110.9 49.5 -78.7 -31.1 34.5 54.8 -53.1 108 108 A S H < S+ 0 0 26 -4,-3.4 7,-0.2 1,-0.2 -2,-0.2 0.784 103.5 62.8 -76.0 -28.3 33.6 53.8 -49.5 109 109 A Q H < S+ 0 0 122 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.2 0.751 122.7 18.2 -66.7 -24.8 32.8 50.4 -50.8 110 110 A K H < S+ 0 0 163 -4,-0.5 -2,-0.2 -3,-0.3 -3,-0.1 0.799 109.0 72.8-111.7 -56.8 36.4 50.0 -51.9 111 111 A D 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