==== 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) 23-JAN-96 1NJC . 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) . 15716.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 71.2 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 . 30 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 30.1 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 3 0 1 0 1 2 0 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 0 125 0, 0.0 3,-0.8 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 172.5 5.9 26.0 -41.5 2 2 A L T 3 + 0 0 32 1,-0.2 4,-0.2 40,-0.1 37,-0.1 0.813 360.0 53.0 -70.1 -29.0 4.7 29.6 -41.9 3 3 A E T >> S+ 0 0 9 1,-0.2 3,-1.3 2,-0.1 4,-1.2 0.501 75.1 105.4 -87.9 -0.1 7.9 30.7 -43.8 4 4 A Q H X> S+ 0 0 75 -3,-0.8 4,-2.6 1,-0.3 3,-0.7 0.855 73.0 59.8 -48.1 -44.0 7.7 27.9 -46.4 5 5 A P H 3> S+ 0 0 32 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.892 103.8 52.3 -54.7 -36.9 6.5 30.3 -49.2 6 6 A Y H <> S+ 0 0 0 -3,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.813 110.3 46.5 -66.7 -35.5 9.7 32.3 -48.7 7 7 A L H X S+ 0 0 111 -4,-2.5 4,-2.3 2,-0.2 3,-0.9 0.997 111.3 45.1 -62.6 -67.2 14.3 27.8 -54.7 12 12 A K H 3X>S+ 0 0 59 -4,-2.2 4,-2.1 1,-0.3 5,-1.5 0.822 110.5 54.0 -51.4 -38.8 12.5 28.7 -57.9 13 13 A V H 3<5S+ 0 0 0 -4,-1.5 -1,-0.3 -5,-0.2 4,-0.2 0.910 110.8 47.6 -64.0 -36.0 14.5 31.9 -58.5 14 14 A L H <<5S+ 0 0 38 -4,-1.3 -2,-0.2 -3,-0.9 -1,-0.2 0.894 125.7 31.1 -66.5 -39.8 17.6 29.7 -58.2 15 15 A D H <5S+ 0 0 98 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.976 135.7 22.0 -81.3 -71.4 16.0 27.2 -60.6 16 16 A E T <5S+ 0 0 110 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.1 0.715 93.2 124.0 -69.0 -25.7 13.8 29.2 -63.0 17 17 A G < - 0 0 8 -5,-1.5 2,-0.3 -4,-0.2 14,-0.2 -0.160 50.8-154.1 -45.3 110.3 15.7 32.4 -62.3 18 18 A H E -A 30 0A 114 12,-1.9 12,-3.1 1,-0.1 -1,-0.1 -0.701 25.3-104.0 -89.4 139.6 16.9 33.7 -65.6 19 19 A F E +A 29 0A 127 -2,-0.3 10,-0.2 10,-0.2 -1,-0.1 -0.245 44.6 175.1 -58.5 150.5 20.0 35.9 -65.4 20 20 A K E -A 28 0A 91 8,-1.9 8,-1.7 -3,-0.0 -3,-0.0 -0.918 27.8-124.5-162.0 130.8 19.4 39.6 -65.8 21 21 A P - 0 0 99 0, 0.0 2,-0.3 0, 0.0 4,-0.1 -0.182 36.4-164.1 -67.1 172.2 21.8 42.7 -65.6 22 22 A D - 0 0 36 2,-0.4 5,-0.0 1,-0.1 6,-0.0 -0.899 35.2 -82.9-152.3-179.8 20.9 45.4 -63.1 23 23 A R S S+ 0 0 183 -2,-0.3 -1,-0.1 2,-0.1 293,-0.0 0.907 117.5 40.7 -51.4 -54.4 21.3 49.0 -61.9 24 24 A T S S- 0 0 14 2,-0.2 -2,-0.4 291,-0.1 292,-0.0 0.197 103.1-108.3 -74.5-155.7 24.4 48.1 -59.8 25 25 A H S S+ 0 0 175 -4,-0.1 2,-0.6 2,-0.1 -2,-0.1 0.344 85.0 103.3-128.3 17.4 26.8 45.8 -61.5 26 26 A T S S- 0 0 28 1,-0.1 -2,-0.2 -5,-0.0 289,-0.0 -0.822 77.4-121.1 -92.7 122.4 26.4 42.6 -59.6 27 27 A G - 0 0 14 -2,-0.6 235,-2.7 234,-0.1 236,-0.3 -0.131 28.7-148.5 -60.6 168.7 24.3 40.4 -61.9 28 28 A T E -AB 20 261A 1 -8,-1.7 -8,-1.9 233,-0.3 2,-0.5 -0.885 15.6-132.1-137.1 163.9 21.0 39.0 -60.7 29 29 A Y E -AB 19 260A 70 231,-1.5 231,-2.1 -2,-0.3 2,-0.3 -0.995 42.0-171.6-114.7 120.9 18.8 36.0 -61.1 30 30 A S E +AB 18 259A 1 -12,-3.1 -12,-1.9 -2,-0.5 2,-0.3 -0.894 27.4 178.9-127.5 155.5 15.3 37.2 -61.8 31 31 A I E - B 0 258A 12 227,-1.9 227,-1.3 -2,-0.3 2,-0.4 -0.854 21.2-142.5-134.7 164.6 11.7 36.2 -62.1 32 32 A F E + B 0 257A 158 -2,-0.3 225,-0.2 1,-0.3 224,-0.1 -0.989 66.6 23.6-138.4 126.2 8.7 38.4 -62.7 33 33 A G E + 0 0 46 223,-1.6 -1,-0.3 -2,-0.4 2,-0.3 0.544 65.9 148.3 87.5 116.1 5.3 38.0 -61.2 34 34 A H E - B 0 255A 47 221,-0.7 221,-2.6 -3,-0.1 2,-0.3 -0.850 24.1-158.6-175.6 147.1 4.9 36.0 -58.0 35 35 A Q E - B 0 254A 98 -2,-0.3 2,-0.4 219,-0.2 219,-0.2 -0.992 2.3-164.3-140.3 141.1 2.6 36.1 -55.0 36 36 A M E - B 0 253A 5 217,-2.0 217,-2.2 -2,-0.3 2,-0.5 -0.963 7.4-152.2-124.4 148.7 3.0 34.8 -51.4 37 37 A R E - B 0 252A 127 -2,-0.4 2,-0.6 215,-0.2 215,-0.2 -0.951 8.3-172.2-128.3 116.1 0.3 34.2 -48.8 38 38 A F E - B 0 251A 1 213,-3.4 213,-2.0 -2,-0.5 2,-1.3 -0.883 16.9-146.6-112.1 107.4 1.0 34.4 -45.1 39 39 A D E > - B 0 250A 46 -2,-0.6 3,-2.1 211,-0.2 211,-0.2 -0.544 11.1-164.6 -72.4 98.8 -1.9 33.4 -42.7 40 40 A L G > S+ 0 0 6 -2,-1.3 3,-0.5 209,-1.0 -1,-0.2 0.522 80.5 71.3 -64.0 -7.6 -1.2 35.7 -39.8 41 41 A S G 3 S+ 0 0 69 208,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.458 94.4 56.4 -87.8 -0.3 -3.4 33.7 -37.5 42 42 A K G < S- 0 0 156 -3,-2.1 237,-0.3 1,-0.4 2,-0.3 0.380 122.9 -60.2-109.3 -0.2 -0.8 30.9 -37.4 43 43 A G < - 0 0 18 -3,-0.5 -1,-0.4 -4,-0.2 238,-0.2 -0.874 65.1 -61.1 146.0-179.5 2.2 33.0 -36.2 44 44 A F - 0 0 1 236,-2.4 2,-2.7 -2,-0.3 187,-0.1 -0.925 42.6-129.5-105.7 122.1 4.4 35.9 -37.1 45 45 A P + 0 0 5 0, 0.0 2,-0.5 0, 0.0 186,-0.1 -0.167 59.2 134.1 -62.7 45.0 6.3 35.7 -40.4 46 46 A L - 0 0 3 -2,-2.7 -2,-0.1 234,-0.1 -43,-0.1 -0.870 66.3-104.8 -96.5 126.5 9.8 36.6 -39.0 47 47 A L - 0 0 3 -2,-0.5 5,-0.5 180,-0.2 3,-0.3 -0.285 31.9-173.8 -57.4 130.5 12.3 34.1 -40.4 48 48 A T S S+ 0 0 0 229,-0.2 259,-3.0 1,-0.2 -1,-0.2 0.604 80.0 70.8 -95.7 -15.5 13.5 31.4 -38.1 49 49 A T S S+ 0 0 0 1,-0.2 2,-0.2 257,-0.2 -1,-0.2 0.441 114.5 17.2 -81.4 4.1 16.1 30.1 -40.6 50 50 A K S S- 0 0 18 -3,-0.3 2,-0.3 259,-0.0 -1,-0.2 -0.802 93.4-101.4-174.2 123.5 18.2 33.2 -40.1 51 51 A K - 0 0 119 256,-1.2 259,-0.2 257,-0.4 -3,-0.1 -0.374 37.1-167.0 -57.3 117.2 18.1 35.8 -37.3 52 52 A V - 0 0 3 -5,-0.5 2,-1.3 -2,-0.3 3,-0.1 -0.890 25.9-119.0-107.3 131.7 16.3 38.9 -38.5 53 53 A P >> + 0 0 57 0, 0.0 4,-0.9 0, 0.0 3,-0.6 -0.577 30.6 179.6 -73.5 94.6 16.6 42.1 -36.3 54 54 A F H 3> S+ 0 0 20 -2,-1.3 4,-2.1 1,-0.2 5,-0.2 0.749 76.9 66.9 -66.9 -23.9 12.9 42.8 -35.2 55 55 A G H 3> S+ 0 0 40 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.917 99.9 49.0 -63.1 -41.4 14.1 45.9 -33.3 56 56 A L H <> S+ 0 0 53 -3,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.773 109.2 53.5 -67.8 -31.4 15.1 47.6 -36.6 57 57 A I H X S+ 0 0 0 -4,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.931 108.8 47.0 -71.9 -46.0 11.7 46.8 -38.1 58 58 A K H X S+ 0 0 31 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.978 113.1 47.6 -58.7 -59.2 9.6 48.3 -35.3 59 59 A S H X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.874 114.4 47.2 -50.8 -44.9 11.5 51.6 -35.1 60 60 A E H X S+ 0 0 21 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.942 112.7 49.0 -64.9 -45.4 11.5 52.1 -38.8 61 61 A L H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.836 110.2 50.7 -63.1 -36.8 7.7 51.3 -39.0 62 62 A L H X S+ 0 0 3 -4,-2.6 4,-1.3 2,-0.2 6,-0.2 0.940 104.7 57.4 -66.0 -43.6 6.9 53.7 -36.2 63 63 A W H <>S+ 0 0 0 -4,-2.1 5,-1.3 -5,-0.3 3,-0.2 0.863 109.7 47.0 -53.5 -36.0 8.9 56.4 -38.0 64 64 A F H ><5S+ 0 0 10 -4,-1.5 3,-2.2 1,-0.2 -1,-0.2 0.949 108.7 52.3 -71.1 -52.2 6.5 55.8 -40.9 65 65 A L H 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.599 103.9 59.3 -61.3 -14.9 3.4 55.9 -38.8 66 66 A H T 3<5S- 0 0 68 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.348 109.1-121.7 -94.8 4.3 4.5 59.2 -37.3 67 67 A G T < 5 + 0 0 26 -3,-2.2 2,-0.2 1,-0.2 -3,-0.2 0.639 64.0 151.9 64.7 12.4 4.6 60.9 -40.7 68 68 A D < + 0 0 44 -5,-1.3 79,-0.3 -6,-0.2 -1,-0.2 -0.473 31.3 174.8 -78.7 144.6 8.2 61.5 -39.9 69 69 A T + 0 0 20 -2,-0.2 73,-2.1 78,-0.2 2,-0.4 0.225 47.5 107.8-130.4 8.7 10.9 61.9 -42.5 70 70 A N B >> -F 141 0B 28 71,-0.2 3,-0.8 72,-0.1 4,-0.5 -0.800 60.9-146.0 -99.6 135.7 13.8 62.9 -40.3 71 71 A I H 3> S+ 0 0 0 69,-2.8 4,-2.5 -2,-0.4 5,-0.3 0.613 87.2 82.0 -72.2 -11.9 16.7 60.5 -39.5 72 72 A R H 3> S+ 0 0 56 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.921 89.6 53.3 -60.4 -43.3 17.2 61.9 -36.0 73 73 A F H <4 S+ 0 0 35 -3,-0.8 4,-0.4 1,-0.2 -1,-0.2 0.874 110.0 46.8 -59.0 -42.5 14.3 59.7 -34.8 74 74 A L H ><>S+ 0 0 0 -4,-0.5 5,-2.8 2,-0.2 3,-1.6 0.945 113.6 46.8 -66.6 -47.4 15.9 56.5 -36.2 75 75 A L H ><5S+ 0 0 13 -4,-2.5 3,-2.6 1,-0.3 -2,-0.2 0.902 105.1 61.4 -59.7 -39.9 19.4 57.3 -34.8 76 76 A Q T 3<5S+ 0 0 115 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.713 109.4 43.7 -58.4 -21.9 17.7 58.1 -31.6 77 77 A H T < 5S- 0 0 68 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 -0.034 120.3-107.9-113.9 27.6 16.6 54.4 -31.7 78 78 A R T < 5S+ 0 0 214 -3,-2.6 2,-0.5 1,-0.2 -3,-0.2 0.642 75.0 140.6 56.6 17.6 20.0 53.0 -32.9 79 79 A N < + 0 0 0 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.801 24.5 171.8 -94.7 127.5 18.5 52.4 -36.3 80 80 A H > + 0 0 101 -2,-0.5 3,-0.8 1,-0.1 4,-0.4 0.198 40.4 113.7-120.2 18.1 20.9 53.2 -39.2 81 81 A I T 3 S+ 0 0 62 1,-0.2 4,-0.2 2,-0.1 3,-0.2 0.821 86.2 36.5 -59.3 -36.1 19.0 51.9 -42.3 82 82 A W T 3> S+ 0 0 38 1,-0.1 4,-1.3 -3,-0.1 3,-0.5 0.423 87.0 99.3-101.7 4.0 18.5 55.3 -43.8 83 83 A D H <> S+ 0 0 6 -3,-0.8 4,-2.9 1,-0.2 3,-0.4 0.916 75.4 59.7 -51.1 -58.3 21.8 57.0 -42.9 84 84 A E H > S+ 0 0 79 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.826 104.6 51.0 -40.5 -46.1 23.5 56.5 -46.3 85 85 A W H > S+ 0 0 61 -3,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.909 113.2 41.6 -65.3 -47.4 20.8 58.5 -48.1 86 86 A A H X S+ 0 0 0 -4,-1.3 4,-1.9 -3,-0.4 -2,-0.2 0.883 113.8 56.2 -67.5 -36.9 20.9 61.6 -45.9 87 87 A F H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.913 99.3 58.5 -59.9 -46.4 24.7 61.3 -45.9 88 88 A E H X S+ 0 0 61 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.908 107.5 48.4 -51.5 -45.0 24.9 61.4 -49.7 89 89 A K H < S+ 0 0 93 -4,-1.2 3,-0.4 2,-0.2 4,-0.2 0.928 110.5 50.0 -62.4 -48.4 23.1 64.8 -49.6 90 90 A W H >< S+ 0 0 7 -4,-1.9 3,-1.8 49,-0.3 6,-0.5 0.953 109.7 50.2 -53.7 -57.5 25.4 66.2 -46.9 91 91 A V H 3< S+ 0 0 13 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.742 105.9 57.7 -54.3 -29.7 28.6 65.3 -48.6 92 92 A K T 3< S+ 0 0 113 -4,-1.3 2,-0.3 -3,-0.4 -1,-0.3 0.360 90.7 89.6 -89.5 6.8 27.5 66.8 -51.9 93 93 A S S X S- 0 0 34 -3,-1.8 3,-2.0 -4,-0.2 -3,-0.0 -0.732 88.0-106.6-107.7 158.6 26.9 70.4 -50.7 94 94 A D T 3 S+ 0 0 138 1,-0.3 -1,-0.1 -2,-0.3 -3,-0.1 0.630 113.7 65.4 -49.5 -21.1 29.1 73.4 -50.4 95 95 A E T 3 S+ 0 0 84 -5,-0.2 2,-0.3 2,-0.0 -1,-0.3 0.817 77.7 93.0 -76.5 -30.9 29.3 73.0 -46.6 96 96 A Y < + 0 0 28 -3,-2.0 -5,-0.0 -6,-0.5 -6,-0.0 -0.484 42.1 164.7 -68.9 124.3 31.1 69.7 -46.7 97 97 A H + 0 0 168 -2,-0.3 -1,-0.1 0, 0.0 -3,-0.0 -0.372 39.6 99.0-135.7 52.5 34.9 70.3 -46.4 98 98 A G S S- 0 0 41 1,-0.3 -2,-0.0 -7,-0.1 0, 0.0 -0.237 72.8 -44.8-116.4-151.9 36.3 66.9 -45.5 99 99 A P S S- 0 0 63 0, 0.0 2,-1.6 0, 0.0 -1,-0.3 0.262 78.6 -60.1 -66.9-165.1 38.0 64.0 -47.3 100 100 A D + 0 0 75 1,-0.1 2,-2.8 2,-0.1 18,-0.1 -0.267 63.9 155.9 -80.9 50.5 37.2 62.2 -50.6 101 101 A M + 0 0 4 -2,-1.6 2,-0.5 -10,-0.1 -1,-0.1 -0.440 29.0 133.3 -76.0 70.1 33.7 61.0 -49.7 102 102 A T S S- 0 0 61 -2,-2.8 5,-0.1 1,-0.1 -2,-0.1 -0.977 79.0 -8.7-129.7 118.2 32.8 60.7 -53.3 103 103 A D S > S+ 0 0 121 -2,-0.5 4,-0.9 -15,-0.1 3,-0.4 0.817 92.5 162.9 63.3 35.0 31.1 57.7 -54.7 104 104 A F H >> + 0 0 6 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.842 46.1 66.9 -49.5 -66.9 31.8 56.2 -51.2 105 105 A G H 3> S+ 0 0 21 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.777 105.9 42.6 -30.4 -55.6 29.6 53.2 -50.7 106 106 A H H 3> S+ 0 0 84 -3,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.916 114.7 51.2 -63.4 -45.2 31.2 51.0 -53.3 107 107 A R H S+ 0 0 104 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.778 102.7 60.3 -47.2 -49.0 40.4 49.0 -45.7 113 113 A E H >> S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 3,-0.7 0.959 112.1 37.8 -50.0 -57.4 41.7 52.5 -45.6 114 114 A F H 3> S+ 0 0 3 -3,-0.3 4,-3.4 1,-0.2 5,-0.4 0.893 105.5 66.7 -64.8 -42.3 38.5 54.1 -46.8 115 115 A A H 3X S+ 0 0 25 -4,-1.9 4,-0.9 -7,-0.4 -1,-0.2 0.807 110.7 38.1 -49.2 -33.5 36.2 51.7 -44.9 116 116 A A H X S+ 0 0 99 -4,-1.9 4,-2.9 1,-0.2 3,-0.5 0.945 109.5 54.3 -65.1 -44.9 25.5 66.5 -35.6 129 129 A V H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.807 111.2 49.1 -57.8 -28.8 22.1 65.2 -36.7 130 130 A L H 3< S+ 0 0 50 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.797 132.0 9.9 -80.7 -31.6 21.6 64.1 -33.2 131 131 A H H << S+ 0 0 134 -4,-1.6 2,-1.9 -3,-0.5 -3,-0.2 0.697 105.2 80.1-122.1 -32.5 22.6 67.3 -31.4 132 132 A D >X - 0 0 77 -4,-2.9 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