==== 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 1BO8 . 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) . 15245.0 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 . 42 13.3 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 . 28 8.9 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 . 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 2 0 1 1 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 1 2 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 0 135 0, 0.0 3,-1.8 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 160.8 4.6 28.0 -44.4 2 2 A L T 3 + 0 0 32 1,-0.3 4,-0.1 40,-0.2 37,-0.1 0.823 360.0 50.0 -54.7 -39.9 3.4 31.6 -44.7 3 3 A E T >> S+ 0 0 8 1,-0.2 4,-1.4 2,-0.1 3,-1.2 0.316 77.8 106.5 -85.2 8.8 6.7 32.9 -46.2 4 4 A Q H <> + 0 0 55 -3,-1.8 4,-3.0 1,-0.2 5,-0.3 0.910 68.7 63.4 -55.2 -42.1 6.8 30.2 -48.8 5 5 A P H 3> S+ 0 0 34 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.793 103.9 49.5 -53.8 -28.5 5.8 32.6 -51.7 6 6 A Y H <> S+ 0 0 0 -3,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.925 110.4 47.7 -76.5 -45.5 9.0 34.6 -51.1 7 7 A L H X S+ 0 0 5 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.918 112.6 51.4 -61.1 -38.4 11.2 31.5 -51.1 8 8 A D H X S+ 0 0 75 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.846 107.2 51.9 -66.3 -37.4 9.4 30.5 -54.3 9 9 A L H X S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.862 109.1 51.7 -67.4 -34.5 10.0 33.9 -55.9 10 10 A A H X S+ 0 0 0 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.877 110.9 47.2 -68.2 -41.3 13.7 33.5 -55.0 11 11 A K H >X S+ 0 0 86 -4,-2.0 4,-2.0 2,-0.2 3,-0.8 0.964 110.2 52.7 -64.4 -50.9 13.9 30.1 -56.7 12 12 A K H 3X>S+ 0 0 70 -4,-2.5 4,-2.2 1,-0.3 5,-0.7 0.884 108.2 49.6 -54.5 -43.1 12.1 31.2 -59.8 13 13 A V H 3X5S+ 0 0 0 -4,-1.9 4,-0.5 1,-0.2 -1,-0.3 0.816 110.3 53.8 -67.4 -26.5 14.5 34.1 -60.3 14 14 A L H <<5S+ 0 0 49 -4,-1.1 -2,-0.2 -3,-0.8 -1,-0.2 0.872 119.7 29.4 -72.2 -43.0 17.4 31.6 -59.9 15 15 A D H <5S+ 0 0 133 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.2 0.938 136.4 22.7 -81.3 -57.2 16.2 29.2 -62.6 16 16 A E H <5S+ 0 0 106 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.1 0.540 89.4 122.7 -90.6 -13.4 14.3 31.4 -65.1 17 17 A G << - 0 0 12 -5,-0.7 2,-0.4 -4,-0.5 14,-0.2 -0.289 54.5-140.6 -56.2 130.3 15.9 34.7 -64.3 18 18 A H E -A 30 0A 147 12,-2.2 12,-2.1 -2,-0.0 2,-0.2 -0.778 22.7-110.0 -95.0 132.7 17.5 36.4 -67.3 19 19 A F E +A 29 0A 121 -2,-0.4 10,-0.2 10,-0.2 -1,-0.0 -0.482 48.3 171.8 -61.7 122.4 20.8 38.1 -66.8 20 20 A K E -A 28 0A 105 8,-2.4 8,-1.0 -2,-0.2 2,-0.1 -0.987 30.1-120.7-134.0 134.7 19.9 41.8 -67.3 21 21 A P E -A 27 0A 105 0, 0.0 2,-0.3 0, 0.0 6,-0.2 -0.504 30.6-151.9 -77.1 155.5 22.3 44.7 -66.6 22 22 A D > - 0 0 30 4,-0.8 3,-1.6 -2,-0.1 6,-0.0 -0.787 27.6-105.1-127.4 169.5 21.5 47.4 -64.0 23 23 A R T 3 S+ 0 0 167 1,-0.3 -1,-0.1 -2,-0.3 293,-0.0 0.921 115.6 57.6 -54.2 -49.6 22.1 51.0 -63.1 24 24 A T T 3 S- 0 0 6 1,-0.1 292,-0.3 2,-0.1 -1,-0.3 0.477 112.7-119.5 -63.7 -4.3 24.5 50.3 -60.2 25 25 A H S < S+ 0 0 166 -3,-1.6 2,-0.3 1,-0.3 -1,-0.1 0.704 79.0 121.2 70.6 16.4 26.6 48.5 -62.8 26 26 A T - 0 0 33 1,-0.1 -4,-0.8 290,-0.0 -1,-0.3 -0.813 67.5-112.6-102.2 149.2 26.2 45.3 -60.8 27 27 A G E -A 21 0A 14 -2,-0.3 235,-1.8 -6,-0.2 2,-0.3 -0.335 33.1-168.4 -78.4 171.8 24.6 42.4 -62.7 28 28 A T E -AB 20 261A 3 -8,-1.0 -8,-2.4 233,-0.3 2,-0.5 -0.982 24.6-134.8-156.2 152.9 21.2 41.0 -61.9 29 29 A Y E -AB 19 260A 79 231,-2.1 231,-2.3 -2,-0.3 2,-0.3 -0.969 43.6-170.8-106.6 131.4 19.0 38.0 -62.8 30 30 A S E -AB 18 259A 11 -12,-2.1 -12,-2.2 -2,-0.5 2,-0.3 -0.883 28.4-172.2-132.5 158.3 15.6 39.3 -63.5 31 31 A I E - B 0 258A 22 227,-1.6 227,-2.6 -2,-0.3 2,-0.5 -0.961 19.5-140.8-139.1 150.5 11.9 38.5 -64.1 32 32 A F E S+ B 0 257A 164 -2,-0.3 225,-0.2 225,-0.2 224,-0.1 -0.978 70.7 15.3-118.4 122.3 9.1 40.9 -65.1 33 33 A G E + 0 0 45 223,-2.5 2,-0.3 -2,-0.5 -1,-0.2 0.734 66.5 155.1 85.8 107.8 5.6 40.5 -63.7 34 34 A H E - B 0 255A 39 221,-1.1 221,-2.8 -3,-0.1 2,-0.3 -0.975 19.3-162.5-157.4 156.6 5.1 38.3 -60.6 35 35 A Q E + B 0 254A 103 -2,-0.3 2,-0.3 219,-0.2 219,-0.2 -0.976 8.2 176.0-151.7 129.5 2.5 38.2 -57.9 36 36 A M E - B 0 253A 9 217,-2.0 217,-3.2 -2,-0.3 2,-0.3 -0.969 12.7-153.1-132.6 147.4 2.3 36.7 -54.4 37 37 A R E - B 0 252A 119 -2,-0.3 2,-0.5 215,-0.2 215,-0.2 -0.938 2.1-159.2-121.1 148.1 -0.3 36.8 -51.7 38 38 A F E - B 0 251A 3 213,-2.2 213,-2.4 -2,-0.3 2,-1.0 -0.998 17.7-138.2-127.1 122.5 -0.0 36.4 -47.9 39 39 A D E > - B 0 250A 60 -2,-0.5 3,-1.9 211,-0.2 211,-0.3 -0.766 14.0-159.3 -79.7 107.1 -3.1 35.5 -45.9 40 40 A L T 3 S+ 0 0 7 209,-2.2 3,-0.3 -2,-1.0 -1,-0.1 0.513 84.1 68.7 -69.4 -2.5 -2.7 37.8 -42.9 41 41 A S T 3 S+ 0 0 64 208,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.630 94.7 56.3 -89.3 -12.6 -5.0 35.7 -40.8 42 42 A K S < S- 0 0 150 -3,-1.9 237,-0.2 1,-0.4 2,-0.2 0.439 124.7 -68.8 -96.2 -0.4 -2.4 33.0 -40.7 43 43 A G - 0 0 14 -3,-0.3 -1,-0.4 -4,-0.2 238,-0.2 -0.682 60.2 -56.9 136.7 170.9 0.3 35.2 -39.3 44 44 A F - 0 0 2 236,-2.3 2,-1.8 -2,-0.2 187,-0.1 -0.729 44.5-130.3 -90.1 129.2 2.6 38.1 -39.9 45 45 A P + 0 0 3 0, 0.0 2,-0.6 0, 0.0 186,-0.1 -0.172 57.2 136.1 -72.5 42.7 4.9 37.8 -43.0 46 46 A L - 0 0 2 -2,-1.8 -43,-0.1 184,-0.1 182,-0.1 -0.841 65.5-109.0 -89.3 123.5 8.2 38.7 -41.3 47 47 A L - 0 0 2 -2,-0.6 5,-0.4 180,-0.2 3,-0.2 -0.312 30.5-171.0 -56.4 136.0 10.6 36.1 -42.6 48 48 A T S S+ 0 0 0 229,-0.2 259,-2.3 1,-0.2 -1,-0.2 0.634 79.9 71.8 -98.8 -21.8 11.8 33.5 -40.1 49 49 A T S S+ 0 0 0 257,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.459 113.5 21.5 -74.0 2.7 14.5 32.0 -42.5 50 50 A K S S- 0 0 15 -3,-0.2 2,-0.5 259,-0.1 259,-0.2 -0.907 91.4-105.6-165.5 138.2 16.5 35.2 -41.9 51 51 A K - 0 0 124 256,-0.5 259,-0.2 -2,-0.3 -3,-0.1 -0.617 35.9-171.9 -76.0 118.9 16.5 37.8 -39.2 52 52 A V - 0 0 5 -2,-0.5 2,-1.1 -5,-0.4 -2,-0.0 -0.913 28.5-117.8-111.1 135.8 14.8 41.1 -40.3 53 53 A P >> - 0 0 60 0, 0.0 4,-1.3 0, 0.0 3,-0.9 -0.602 28.5-176.1 -76.3 98.1 14.9 44.2 -38.1 54 54 A F H 3> S+ 0 0 21 -2,-1.1 4,-2.8 1,-0.3 5,-0.2 0.811 78.7 63.9 -65.6 -30.5 11.3 45.0 -37.4 55 55 A G H 3> S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.842 102.3 51.1 -63.1 -32.0 12.1 48.2 -35.5 56 56 A L H <> S+ 0 0 49 -3,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.916 112.8 43.8 -70.6 -42.0 13.5 49.6 -38.7 57 57 A I H X S+ 0 0 0 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.867 116.5 49.1 -72.6 -32.0 10.3 48.7 -40.7 58 58 A K H X S+ 0 0 34 -4,-2.8 4,-1.9 2,-0.2 5,-0.2 0.975 112.1 44.0 -71.6 -53.3 8.1 50.0 -37.8 59 59 A S H X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.835 114.4 51.9 -62.1 -35.3 9.8 53.4 -37.2 60 60 A E H X S+ 0 0 21 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.898 108.2 49.4 -68.0 -42.1 10.0 54.0 -41.0 61 61 A L H X S+ 0 0 1 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.863 111.2 50.4 -66.2 -34.9 6.3 53.3 -41.6 62 62 A L H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 6,-0.3 0.907 105.7 54.7 -68.2 -43.0 5.3 55.6 -38.7 63 63 A W H <>S+ 0 0 0 -4,-1.8 5,-1.5 1,-0.2 4,-0.4 0.933 111.6 46.7 -54.3 -42.9 7.5 58.3 -40.2 64 64 A F H ><5S+ 0 0 6 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.945 108.6 53.9 -62.8 -52.1 5.4 57.8 -43.4 65 65 A L H 3<5S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.736 105.1 54.3 -54.7 -29.0 2.1 57.8 -41.5 66 66 A H T 3<5S- 0 0 66 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.569 110.9-122.1 -83.1 -10.7 2.9 61.1 -40.0 67 67 A G T < 5 + 0 0 21 -3,-2.0 -3,-0.2 -4,-0.4 -2,-0.1 0.651 59.3 157.8 77.5 14.0 3.5 62.6 -43.4 68 68 A D < + 0 0 50 -5,-1.5 79,-0.4 -6,-0.3 -1,-0.2 -0.402 27.8 177.6 -73.0 147.3 7.0 63.4 -42.1 69 69 A T + 0 0 24 78,-0.1 73,-3.1 -3,-0.1 2,-0.5 0.189 47.9 106.0-133.7 8.8 9.9 64.0 -44.6 70 70 A N B > -F 141 0B 28 71,-0.3 3,-1.4 72,-0.1 4,-0.5 -0.874 63.0-145.1-104.6 123.5 12.7 64.8 -42.2 71 71 A I T >> S+ 0 0 0 69,-3.2 4,-2.2 -2,-0.5 3,-1.1 0.762 88.4 84.8 -50.1 -29.8 15.5 62.4 -41.4 72 72 A R H 3> S+ 0 0 48 1,-0.3 4,-1.7 68,-0.2 -1,-0.3 0.823 86.9 49.8 -47.1 -44.0 15.5 63.8 -37.8 73 73 A F H <4 S+ 0 0 28 -3,-1.4 4,-0.3 2,-0.2 -1,-0.3 0.824 112.0 49.5 -64.9 -36.3 12.7 61.5 -36.6 74 74 A L H X4>S+ 0 0 0 -3,-1.1 5,-2.7 -4,-0.5 3,-1.6 0.937 109.7 49.2 -66.8 -51.9 14.4 58.4 -38.1 75 75 A L H ><5S+ 0 0 9 -4,-2.2 3,-1.8 1,-0.3 -2,-0.2 0.848 104.0 60.4 -58.0 -35.7 17.8 59.2 -36.5 76 76 A Q T 3<5S+ 0 0 96 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.708 109.5 44.4 -65.8 -19.4 16.1 59.7 -33.2 77 77 A H T < 5S- 0 0 52 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.225 121.0-108.9-108.4 14.5 15.0 56.1 -33.6 78 78 A R T < 5S+ 0 0 195 -3,-1.8 2,-0.7 1,-0.2 -3,-0.2 0.856 71.9 145.3 60.8 38.3 18.4 54.9 -34.7 79 79 A N < + 0 0 0 -5,-2.7 3,-0.3 -8,-0.2 -1,-0.2 -0.908 20.3 169.2-112.5 107.2 17.0 54.4 -38.2 80 80 A H > + 0 0 95 -2,-0.7 3,-1.1 1,-0.2 4,-0.5 0.345 40.7 114.3-101.0 9.9 19.6 55.2 -40.8 81 81 A I T 3 S+ 0 0 65 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 0.806 87.8 33.2 -49.6 -35.8 17.8 53.8 -43.9 82 82 A W T >> S+ 0 0 28 -3,-0.3 4,-1.2 1,-0.1 3,-0.8 0.551 85.6 101.5-104.0 -3.7 17.4 57.3 -45.4 83 83 A D H <> S+ 0 0 3 -3,-1.1 4,-3.0 1,-0.2 5,-0.2 0.824 75.9 62.9 -46.3 -42.7 20.6 59.0 -44.3 84 84 A E H 3> S+ 0 0 78 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.910 101.9 48.2 -52.7 -49.5 22.3 58.5 -47.7 85 85 A W H <> S+ 0 0 80 -3,-0.8 4,-1.0 1,-0.2 -1,-0.2 0.876 116.1 42.8 -61.4 -41.2 19.8 60.6 -49.6 86 86 A A H X S+ 0 0 0 -4,-1.2 4,-1.5 1,-0.2 3,-0.3 0.903 111.0 55.5 -71.4 -43.7 19.9 63.5 -47.1 87 87 A F H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.834 100.0 61.1 -58.4 -36.3 23.7 63.3 -46.8 88 88 A E H X S+ 0 0 67 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.941 103.1 49.8 -57.8 -48.3 24.1 63.7 -50.6 89 89 A K H < S+ 0 0 75 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.873 109.6 51.7 -56.7 -44.6 22.5 67.1 -50.6 90 90 A W H >< S+ 0 0 28 -4,-1.5 3,-2.2 1,-0.2 6,-0.2 0.987 110.6 47.9 -55.2 -61.7 24.7 68.2 -47.8 91 91 A V H 3< S+ 0 0 22 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.883 112.0 48.0 -48.3 -50.4 27.8 67.2 -49.6 92 92 A K T 3< S+ 0 0 177 -4,-2.6 2,-0.3 -5,-0.2 -1,-0.3 0.179 93.0 108.6 -81.4 20.8 26.8 68.8 -52.9 93 93 A S S X S- 0 0 21 -3,-2.2 3,-1.8 -5,-0.1 -3,-0.0 -0.726 76.9-125.2 -98.2 150.4 25.9 72.1 -51.1 94 94 A D T 3 S+ 0 0 151 -2,-0.3 -1,-0.1 1,-0.3 -4,-0.1 0.667 110.7 55.5 -65.4 -16.0 27.9 75.3 -51.3 95 95 A E T 3 S+ 0 0 71 -5,-0.2 2,-0.5 2,-0.0 -1,-0.3 0.347 81.1 111.9 -99.5 9.2 28.2 75.4 -47.5 96 96 A Y < + 0 0 27 -3,-1.8 2,-0.5 -6,-0.2 -5,-0.0 -0.691 42.0 179.6 -85.3 124.4 29.7 72.0 -47.3 97 97 A H + 0 0 160 -2,-0.5 3,-0.0 3,-0.0 -3,-0.0 -0.944 37.2 71.4-132.2 110.1 33.3 72.0 -46.1 98 98 A G S S- 0 0 43 -2,-0.5 3,-0.1 -7,-0.1 -2,-0.0 -0.949 82.3 -22.5 172.4-175.3 35.2 68.7 -45.7 99 99 A P S S- 0 0 56 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 0.057 75.4 -87.9 -50.3 156.0 36.7 65.8 -47.7 100 100 A D - 0 0 94 1,-0.1 -3,-0.0 2,-0.0 -9,-0.0 -0.566 41.4-178.3 -69.1 126.3 35.6 65.1 -51.2 101 101 A M > + 0 0 3 -2,-0.4 3,-1.1 -3,-0.1 2,-0.5 -0.262 20.0 154.9-120.0 40.6 32.7 62.7 -51.1 102 102 A T T 3 S- 0 0 94 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 -0.629 80.2 -9.1 -73.6 122.5 32.2 62.2 -54.8 103 103 A D T 3 S+ 0 0 77 -2,-0.5 -1,-0.3 1,-0.1 5,-0.2 0.919 78.4 171.8 53.3 51.5 30.5 58.9 -55.4 104 104 A F X> + 0 0 18 -3,-1.1 4,-1.4 3,-0.2 3,-0.7 0.715 64.2 71.9 -60.9 -19.6 31.0 58.0 -51.7 105 105 A G H >> S+ 0 0 16 1,-0.2 4,-1.6 2,-0.2 2,-1.1 0.986 107.7 20.6 -61.6 -84.8 28.8 55.0 -52.5 106 106 A H H 34 S+ 0 0 65 1,-0.2 -1,-0.2 210,-0.2 -2,-0.1 -0.134 123.9 60.9 -83.0 43.7 30.8 52.5 -54.6 107 107 A R H <> S+ 0 0 77 -2,-1.1 4,-1.4 -3,-0.7 3,-0.4 0.421 102.1 48.1-131.5 -33.2 33.9 54.2 -53.4 108 108 A S H << S+ 0 0 24 -4,-1.4 7,-0.2 -3,-1.0 -2,-0.2 0.851 106.2 59.7 -77.3 -35.6 33.4 53.4 -49.7 109 109 A Q T < S+ 0 0 79 -4,-1.6 -1,-0.2 -5,-0.2 -3,-0.1 0.513 118.5 31.4 -69.3 -6.9 32.6 49.8 -50.8 110 110 A K T 4 S+ 0 0 126 -3,-0.4 -2,-0.2 1,-0.3 -3,-0.1 0.646 112.1 51.5-110.9 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