==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-AUG-09 3IJZ . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR C.POZZI,L.CANCIAN,R.LEONE,R.LUCIANI,S.FERRARI,S.MANGANI,M.P. . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 13.1 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 . 2 0.6 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 . 26 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 29.8 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 1 1 1 1 1 1 0 1 1 1 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 1 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 0 134 0, 0.0 3,-2.2 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 154.2 53.8 -7.2 33.9 2 2 A L T 3 + 0 0 30 1,-0.3 4,-0.1 40,-0.2 37,-0.1 0.774 360.0 44.3 -51.3 -37.6 51.0 -9.8 33.9 3 3 A E T >> S+ 0 0 8 1,-0.2 4,-1.2 2,-0.1 3,-1.2 0.431 78.5 104.0 -93.2 -1.4 48.4 -7.6 32.1 4 4 A Q H <> S+ 0 0 73 -3,-2.2 4,-3.3 1,-0.3 5,-0.3 0.851 73.4 63.0 -51.3 -37.9 50.6 -6.1 29.3 5 5 A P H 3> S+ 0 0 34 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.882 101.4 52.3 -59.6 -33.8 49.2 -8.3 26.6 6 6 A Y H <> S+ 0 0 0 -3,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.917 111.5 45.2 -61.3 -45.7 45.8 -6.7 27.2 7 7 A L H X S+ 0 0 9 -4,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.900 110.8 53.8 -71.0 -36.9 47.3 -3.3 26.8 8 8 A D H X S+ 0 0 83 -4,-3.3 4,-2.9 1,-0.2 -1,-0.2 0.896 108.3 51.3 -59.1 -38.8 49.3 -4.4 23.6 9 9 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.929 110.1 48.1 -65.1 -47.7 46.0 -5.7 22.2 10 10 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.931 115.5 44.9 -55.0 -46.9 44.3 -2.3 22.8 11 11 A K H X S+ 0 0 112 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.918 110.1 53.9 -67.3 -47.3 47.2 -0.5 21.3 12 12 A K H X S+ 0 0 83 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.864 109.5 48.5 -54.0 -41.4 47.5 -2.8 18.2 13 13 A V H X S+ 0 0 1 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.888 112.6 49.7 -68.7 -33.3 43.8 -2.2 17.5 14 14 A L H < S+ 0 0 50 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.948 122.7 31.2 -64.4 -49.8 44.4 1.5 17.8 15 15 A D H < S+ 0 0 98 -4,-3.1 -2,-0.2 1,-0.1 -3,-0.2 0.923 138.1 18.4 -75.2 -48.3 47.4 1.5 15.5 16 16 A E H < S+ 0 0 113 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.169 86.8 130.2-117.0 16.3 46.6 -1.3 13.1 17 17 A G < - 0 0 18 -4,-1.3 2,-0.4 -5,-0.2 14,-0.2 -0.414 51.1-130.6 -75.1 151.2 42.8 -1.9 13.4 18 18 A H E -A 30 0A 127 12,-2.5 12,-1.9 -2,-0.1 2,-0.2 -0.866 21.7-123.4-101.2 134.0 40.6 -2.1 10.3 19 19 A F E +A 29 0A 100 -2,-0.4 10,-0.2 10,-0.2 8,-0.0 -0.535 35.5 168.7 -76.9 142.9 37.4 -0.0 10.2 20 20 A K E -A 28 0A 97 8,-2.0 8,-3.0 -2,-0.2 2,-0.1 -0.973 27.8-125.1-145.1 146.6 34.1 -1.8 9.7 21 21 A P E +A 27 0A 102 0, 0.0 6,-0.3 0, 0.0 5,-0.1 -0.409 45.1 127.4 -79.4 163.6 30.5 -0.6 10.0 22 22 A D - 0 0 95 4,-0.6 2,-0.3 3,-0.2 3,-0.1 -0.364 52.9 -62.8-163.1 -93.0 27.7 -2.3 12.2 23 23 A R S S+ 0 0 199 1,-0.2 4,-0.1 2,-0.1 0, 0.0 -0.936 91.4 60.1-168.9 170.3 25.3 -1.1 15.0 24 24 A T S S- 0 0 74 -2,-0.3 3,-0.2 2,-0.1 -1,-0.2 0.994 124.3 -12.9 52.0 69.4 25.3 0.4 18.6 25 25 A H S S- 0 0 91 1,-0.1 -3,-0.2 -3,-0.1 -2,-0.1 -0.088 111.5 -51.5 79.8 174.1 27.2 3.5 17.3 26 26 A T S S- 0 0 101 -5,-0.1 -4,-0.6 -4,-0.1 2,-0.3 0.636 91.8 -74.7 -58.5 -31.6 29.0 4.0 14.0 27 27 A G E -A 21 0A 0 -6,-0.3 235,-2.7 -3,-0.2 2,-0.3 -0.982 45.8 -80.2 157.5-172.3 31.3 0.9 13.7 28 28 A T E -AB 20 261A 8 -8,-3.0 -8,-2.0 -2,-0.3 2,-0.4 -0.776 11.0-139.4-126.5 160.8 34.4 -0.8 14.9 29 29 A Y E +AB 19 260A 83 231,-2.4 231,-2.6 -2,-0.3 2,-0.3 -0.996 44.3 170.8-113.5 130.4 38.1 -1.0 14.6 30 30 A S E -AB 18 259A 5 -12,-1.9 -12,-2.5 -2,-0.4 2,-0.3 -0.946 31.4-161.4-143.5 158.1 39.2 -4.7 14.6 31 31 A I E - B 0 258A 15 227,-1.7 227,-2.4 -2,-0.3 2,-0.4 -0.954 20.5-135.4-132.8 159.5 41.8 -7.3 14.1 32 32 A F E S+ B 0 257A 169 -2,-0.3 225,-0.2 225,-0.2 224,-0.2 -0.927 74.8 13.5-119.4 135.2 41.5 -11.1 13.5 33 33 A G S S+ 0 0 46 223,-1.9 223,-0.1 222,-0.4 -1,-0.1 0.535 73.4 158.4 86.8 7.1 43.5 -13.9 15.1 34 34 A H - 0 0 39 222,-0.5 221,-3.1 -3,-0.1 2,-0.4 -0.310 22.1-157.9 -69.5 150.0 45.2 -12.2 18.1 35 35 A Q E -C 254 0A 86 219,-0.2 2,-0.4 -30,-0.0 219,-0.2 -0.986 7.8-165.9-126.9 139.7 46.4 -14.2 21.1 36 36 A M E -C 253 0A 1 217,-2.6 217,-4.0 -2,-0.4 2,-0.4 -0.983 6.7-162.1-124.2 136.0 47.1 -13.2 24.8 37 37 A R E -C 252 0A 128 -2,-0.4 2,-0.4 215,-0.2 215,-0.2 -0.953 5.2-173.1-117.8 140.9 49.0 -15.4 27.2 38 38 A F E -C 251 0A 3 213,-2.2 213,-2.5 -2,-0.4 2,-1.1 -0.977 19.8-143.1-134.9 117.0 49.0 -15.0 31.1 39 39 A D E > -C 250 0A 58 -2,-0.4 3,-2.1 211,-0.2 211,-0.2 -0.697 13.6-159.9 -80.7 103.4 51.3 -17.1 33.3 40 40 A L G > S+ 0 0 5 209,-1.6 3,-0.7 -2,-1.1 -1,-0.2 0.595 83.8 69.7 -65.3 -12.0 48.9 -17.6 36.3 41 41 A S G 3 S+ 0 0 80 208,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.572 91.6 62.4 -77.2 -8.6 51.8 -18.4 38.7 42 42 A K G < S- 0 0 154 -3,-2.1 237,-0.3 1,-0.4 2,-0.3 0.513 124.1 -74.0 -92.7 -7.8 52.8 -14.7 38.4 43 43 A G < - 0 0 13 -3,-0.7 -1,-0.4 -4,-0.2 238,-0.2 -0.814 64.2 -51.8 138.1-177.9 49.6 -13.6 40.0 44 44 A F - 0 0 1 236,-2.7 2,-2.5 -2,-0.3 187,-0.1 -0.831 45.4-132.9 -99.4 124.5 45.9 -13.2 39.0 45 45 A P + 0 0 4 0, 0.0 2,-0.5 0, 0.0 189,-0.1 -0.227 53.6 138.6 -80.1 57.0 45.2 -11.3 35.7 46 46 A L - 0 0 2 -2,-2.5 2,-0.1 185,-0.1 -43,-0.1 -0.874 67.3 -99.7 -90.3 132.8 42.5 -9.0 37.0 47 47 A L - 0 0 2 -2,-0.5 5,-0.4 180,-0.3 3,-0.2 -0.297 34.9-173.8 -62.9 127.6 43.3 -5.6 35.3 48 48 A T S S+ 0 0 0 229,-0.2 259,-2.6 1,-0.2 -1,-0.2 0.733 80.3 68.4 -82.3 -23.6 45.1 -3.1 37.6 49 49 A T S S+ 0 0 0 257,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.514 115.2 18.1 -78.2 -5.3 44.9 -0.3 34.9 50 50 A K S S- 0 0 19 -3,-0.2 259,-0.2 257,-0.1 2,-0.2 -0.916 93.4-104.1-157.9 138.3 41.1 -0.1 35.4 51 51 A K - 0 0 117 256,-0.6 259,-0.2 -2,-0.3 -3,-0.1 -0.455 35.3-169.4 -66.5 128.9 39.0 -1.3 38.2 52 52 A V - 0 0 3 -5,-0.4 2,-1.0 -2,-0.2 -2,-0.0 -0.994 27.1-119.0-119.8 128.4 37.2 -4.5 37.2 53 53 A P >> - 0 0 54 0, 0.0 4,-1.3 0, 0.0 3,-0.9 -0.506 26.3-172.8 -77.8 99.1 34.4 -5.8 39.7 54 54 A F H 3> S+ 0 0 18 -2,-1.0 4,-2.9 1,-0.3 5,-0.2 0.780 78.5 63.2 -63.2 -30.0 35.6 -9.2 40.8 55 55 A G H 3> S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.831 103.1 48.7 -62.3 -36.7 32.3 -9.9 42.7 56 56 A L H <> S+ 0 0 44 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.853 112.6 48.7 -72.5 -31.8 30.3 -9.8 39.5 57 57 A I H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.937 111.9 49.0 -68.9 -50.8 32.8 -12.1 37.8 58 58 A K H X S+ 0 0 28 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.939 114.3 44.6 -52.2 -52.5 32.7 -14.6 40.8 59 59 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.887 112.7 50.2 -70.0 -39.6 29.0 -14.7 40.9 60 60 A E H X S+ 0 0 21 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.926 112.5 48.2 -58.3 -42.8 28.5 -15.0 37.2 61 61 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.929 110.7 49.4 -67.8 -40.5 31.0 -17.8 37.0 62 62 A L H X S+ 0 0 2 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.906 108.5 55.6 -65.6 -36.5 29.4 -19.7 40.0 63 63 A W H ><>S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 3,-0.9 0.927 109.2 44.3 -55.5 -54.6 26.1 -19.3 38.2 64 64 A F H ><5S+ 0 0 2 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.908 110.8 58.1 -50.6 -46.5 27.4 -21.0 35.0 65 65 A L H 3<5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.601 101.9 51.9 -67.9 -17.3 29.0 -23.6 37.2 66 66 A H T <<5S- 0 0 73 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.397 114.8-117.4 -90.4 -5.1 25.6 -24.6 38.8 67 67 A G T < 5 + 0 0 24 -3,-1.8 2,-0.3 -4,-0.3 -3,-0.2 0.708 64.9 155.4 71.3 22.1 24.3 -25.0 35.2 68 68 A D < + 0 0 44 -5,-2.1 79,-0.3 -6,-0.2 -1,-0.2 -0.620 29.7 172.6 -89.8 136.5 21.9 -22.2 36.1 69 69 A T + 0 0 18 -2,-0.3 73,-3.1 78,-0.1 2,-0.6 0.226 48.7 105.2-119.0 10.2 20.3 -19.9 33.5 70 70 A N B > -G 141 0B 26 71,-0.3 3,-1.1 1,-0.1 4,-0.5 -0.807 63.1-146.0 -96.0 123.5 17.9 -18.0 35.7 71 71 A I T >> S+ 0 0 0 69,-3.2 4,-3.2 -2,-0.6 3,-0.7 0.741 86.4 87.2 -60.4 -12.8 18.9 -14.4 36.5 72 72 A R H 3> S+ 0 0 58 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.916 86.8 51.8 -51.3 -46.1 17.3 -14.8 40.0 73 73 A F H <4 S+ 0 0 31 -3,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.829 111.2 46.6 -57.3 -38.1 20.6 -16.2 41.4 74 74 A L H X4>S+ 0 0 0 -3,-0.7 5,-2.0 -4,-0.5 3,-1.9 0.908 109.3 53.7 -72.0 -48.0 22.5 -13.3 40.0 75 75 A L H ><5S+ 0 0 10 -4,-3.2 3,-2.5 1,-0.3 -2,-0.2 0.918 102.2 60.2 -49.2 -41.7 19.9 -10.8 41.4 76 76 A Q T 3<5S+ 0 0 114 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.574 108.6 44.7 -66.6 -6.2 20.4 -12.5 44.8 77 77 A H T < 5S- 0 0 57 -3,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.179 119.0-109.6-120.1 12.8 24.0 -11.4 44.5 78 78 A R T < 5S+ 0 0 187 -3,-2.5 2,-0.6 1,-0.2 -3,-0.2 0.894 72.5 141.3 65.8 38.3 23.4 -7.9 43.3 79 79 A N < + 0 0 0 -5,-2.0 -1,-0.2 -8,-0.2 3,-0.2 -0.966 21.5 169.5-120.4 112.9 24.7 -8.8 39.9 80 80 A H > + 0 0 61 -2,-0.6 3,-1.2 1,-0.1 4,-0.4 0.210 42.2 110.4-109.5 12.3 22.7 -7.1 37.1 81 81 A I T 3 S+ 0 0 47 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.732 85.5 41.1 -69.2 -19.2 24.9 -7.9 34.1 82 82 A W T >> S+ 0 0 30 -3,-0.2 4,-0.9 1,-0.1 3,-0.6 0.544 88.9 98.5 -99.9 -2.0 22.5 -10.3 32.6 83 83 A D H X> S+ 0 0 2 -3,-1.2 4,-3.4 1,-0.2 3,-0.8 0.815 71.4 59.6 -53.6 -46.9 19.3 -8.3 33.3 84 84 A E H 3> S+ 0 0 72 -4,-0.4 4,-2.5 1,-0.3 -1,-0.2 0.843 102.5 51.2 -63.3 -37.6 18.6 -6.6 30.0 85 85 A W H <> S+ 0 0 102 -3,-0.6 4,-0.6 2,-0.2 -1,-0.3 0.770 116.2 43.2 -67.4 -28.8 18.3 -9.8 27.9 86 86 A A H XX S+ 0 0 0 -4,-0.9 3,-1.2 -3,-0.8 4,-1.2 0.937 113.5 49.9 -75.7 -53.0 15.8 -11.1 30.5 87 87 A F H 3X S+ 0 0 0 -4,-3.4 4,-2.7 1,-0.3 3,-0.5 0.861 107.1 59.0 -47.3 -40.7 14.0 -7.7 30.7 88 88 A E H 3X S+ 0 0 63 -4,-2.5 4,-1.4 -5,-0.3 -1,-0.3 0.786 101.3 51.3 -63.7 -34.4 13.9 -7.8 26.9 89 89 A K H << S+ 0 0 69 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.780 115.0 44.3 -75.7 -25.4 11.9 -11.1 26.7 90 90 A W H >< S+ 0 0 24 -4,-1.2 3,-1.1 -3,-0.5 6,-0.3 0.858 111.9 50.0 -85.6 -42.0 9.4 -9.7 29.1 91 91 A V H 3< S+ 0 0 16 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.863 109.3 52.7 -62.5 -38.1 9.0 -6.2 27.6 92 92 A K T 3< S+ 0 0 155 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.368 100.2 101.6 -81.2 5.6 8.5 -7.7 24.1 93 93 A S S X S- 0 0 24 -3,-1.1 3,-0.5 1,-0.1 -3,-0.1 -0.415 78.3-126.1-100.1 168.8 5.7 -9.9 25.6 94 94 A D T 3 S+ 0 0 148 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.1 0.599 105.8 63.8 -81.3 -19.0 1.9 -10.0 25.8 95 95 A E T 3 S+ 0 0 69 -5,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.552 84.1 100.6 -82.7 -10.6 1.8 -10.2 29.6 96 96 A Y < + 0 0 17 -3,-0.5 2,-0.2 -6,-0.3 -5,-0.0 -0.656 41.5 173.6 -92.4 127.1 3.4 -6.7 29.9 97 97 A H + 0 0 167 -2,-0.4 -1,-0.0 2,-0.0 -3,-0.0 -0.594 40.3 92.1-135.5 72.5 1.4 -3.5 30.6 98 98 A G S S- 0 0 21 -2,-0.2 2,-0.0 -7,-0.1 -2,-0.0 -0.847 86.7 -42.3-145.3-178.2 3.6 -0.4 31.2 99 99 A P S S- 0 0 73 0, 0.0 22,-0.1 0, 0.0 -2,-0.0 -0.304 72.9-115.8 -55.9 126.2 5.1 2.5 29.1 100 100 A D - 0 0 126 -2,-0.0 2,-0.3 1,-0.0 -9,-0.0 -0.278 29.5-173.7 -76.3 146.7 6.4 1.0 25.9 101 101 A M > - 0 0 8 -10,-0.1 3,-0.6 1,-0.1 -1,-0.0 -0.777 8.8-179.2-139.6 96.4 10.0 0.8 24.7 102 102 A T T 3 S+ 0 0 135 -2,-0.3 -1,-0.1 1,-0.3 2,-0.0 0.805 90.9 8.3 -62.5 -30.8 10.5 -0.5 21.1 103 103 A D T 3> S+ 0 0 97 2,-0.0 4,-1.6 0, 0.0 -1,-0.3 -0.459 77.9 175.6-154.7 76.2 14.3 -0.1 21.6 104 104 A F T <4 + 0 0 30 -3,-0.6 2,-2.4 2,-0.2 11,-0.0 -0.050 67.7 45.0 -61.1 176.1 15.5 0.8 25.2 105 105 A G T > S+ 0 0 31 1,-0.2 4,-0.7 0, 0.0 -1,-0.2 -0.314 115.8 52.4 77.6 -58.1 19.2 1.1 25.9 106 106 A H H >> S+ 0 0 93 -2,-2.4 4,-0.9 -3,-0.2 3,-0.6 0.952 118.8 35.2 -66.2 -53.1 19.6 3.0 22.6 107 107 A R H 3X S+ 0 0 90 -4,-1.6 4,-1.4 1,-0.2 8,-0.2 0.663 108.6 69.6 -72.7 -20.3 16.9 5.4 23.8 108 108 A S H 34 S+ 0 0 16 1,-0.2 -1,-0.2 2,-0.2 7,-0.2 0.761 99.2 47.6 -71.7 -27.5 18.0 5.1 27.4 109 109 A Q H << S+ 0 0 136 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.858 112.8 49.9 -80.4 -37.9 21.2 7.0 26.7 110 110 A K H < S+ 0 0 125 -4,-0.9 -2,-0.2 -5,-0.1 -3,-0.1 0.998 104.6 54.8 -60.3 -78.5 19.4 9.8 24.8 111 111 A D < - 0 0 75 -4,-1.4 4,-0.2 1,-0.1 0, 0.0 -0.215 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