==== 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 BIOSYNTHETIC PROTEIN 05-DEC-02 1NCE . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI, ESCHERICHIA COLI O15 . AUTHOR D.L.BIRDSALL,J.FINER-MOORE,R.M.STROUD . 528 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 15.5 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 . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 54 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 1 0 2 1 0 0 2 1 3 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 3 3 0 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 2 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 X > 0 0 4 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 152.3 23.7 20.9 49.8 2 2 A K H > + 0 0 131 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.941 360.0 47.6 -50.4 -54.9 24.6 24.5 50.8 3 3 A Q H > S+ 0 0 57 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.879 113.4 47.6 -54.1 -46.0 25.5 25.5 47.3 4 4 A Y H >> S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 3,-0.7 0.965 112.7 47.0 -61.6 -55.9 22.4 24.0 45.7 5 5 A L H 3X S+ 0 0 19 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.876 109.5 53.8 -56.6 -40.7 20.0 25.5 48.2 6 6 A E H 3X S+ 0 0 107 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.3 0.822 105.9 55.5 -65.2 -27.6 21.6 29.0 48.0 7 7 A L H - 0 0 14 4,-1.8 3,-2.0 -2,-0.5 369,-0.1 -0.483 37.7 -95.7 -99.5 174.6 9.3 29.0 27.6 21 21 A R T 3 S+ 0 0 136 1,-0.3 -1,-0.1 -2,-0.2 368,-0.0 0.644 118.4 72.0 -65.3 -12.5 8.3 27.0 24.5 22 22 A T T 3 S- 0 0 50 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.509 109.5-120.4 -79.8 -3.6 6.5 24.5 26.8 23 23 A G S < S+ 0 0 64 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.434 77.0 124.3 78.1 -3.3 3.9 27.2 27.5 24 24 A T - 0 0 29 1,-0.1 -4,-1.8 186,-0.0 -1,-0.3 -0.677 62.1-120.9 -91.2 144.1 4.9 26.8 31.2 25 25 A G E -A 19 0A 19 -2,-0.3 185,-2.2 -6,-0.2 2,-0.3 -0.455 30.7-169.6 -82.5 156.5 6.0 29.9 33.2 26 26 A T E -AB 18 209A 3 -8,-2.4 -8,-2.3 183,-0.2 2,-0.5 -0.961 25.5-138.5-143.9 162.3 9.4 30.2 34.8 27 27 A L E +AB 17 208A 25 181,-2.4 181,-2.3 -2,-0.3 2,-0.3 -0.992 41.4 173.6-117.0 122.3 11.4 32.2 37.2 28 28 A S E -AB 16 207A 1 -12,-2.6 -12,-2.1 -2,-0.5 2,-0.3 -0.976 29.3-169.6-142.1 154.2 15.0 32.7 35.9 29 29 A I E - B 0 206A 15 177,-2.2 177,-2.0 -2,-0.3 2,-0.5 -0.826 27.8-126.4-124.8 163.5 18.3 34.4 36.4 30 30 A F E + B 0 205A 8 -2,-0.3 175,-0.2 1,-0.2 174,-0.2 -0.970 70.0 7.0-122.7 125.6 21.2 34.4 33.8 31 31 A G E + 0 0 1 173,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.670 62.9 163.7 77.8 120.3 24.7 33.3 34.6 32 32 A H E - B 0 203A 29 171,-1.2 171,-2.4 -3,-0.1 2,-0.4 -0.960 20.0-150.6-160.9 153.2 25.7 31.7 37.9 33 33 A Q E - B 0 202A 42 -2,-0.3 2,-0.3 169,-0.2 169,-0.2 -0.998 10.5-175.3-136.3 142.2 28.7 29.7 39.1 34 34 A M E - B 0 201A 10 167,-2.8 167,-3.1 -2,-0.4 2,-0.4 -0.982 9.2-153.1-137.0 143.6 28.9 27.0 41.8 35 35 A R E - B 0 200A 92 -2,-0.3 2,-0.4 165,-0.2 165,-0.2 -0.957 7.5-173.7-123.9 138.4 31.9 25.1 43.2 36 36 A F E - B 0 199A 5 163,-1.6 163,-2.1 -2,-0.4 2,-1.2 -0.969 18.9-145.5-130.9 116.6 32.1 21.7 44.8 37 37 A N E > - B 0 198A 59 -2,-0.4 3,-2.6 161,-0.2 4,-0.4 -0.696 12.9-158.8 -81.6 103.6 35.2 20.3 46.4 38 38 A L G > S+ 0 0 6 159,-1.8 3,-0.7 -2,-1.2 -1,-0.2 0.675 87.1 66.3 -58.0 -18.8 34.9 16.7 45.6 39 39 A Q G 3 S+ 0 0 92 158,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.621 90.9 65.0 -78.4 -11.2 37.2 15.7 48.4 40 40 A D G < S- 0 0 108 -3,-2.6 -1,-0.2 1,-0.3 2,-0.2 0.705 124.0 -72.5 -79.6 -21.1 34.6 17.0 50.8 41 41 A G < - 0 0 7 -3,-0.7 -1,-0.3 -4,-0.4 188,-0.2 -0.752 64.4 -50.3 146.0 167.9 32.2 14.2 49.7 42 42 A F - 0 0 2 186,-2.2 2,-2.8 -2,-0.2 137,-0.1 -0.586 53.8-127.2 -74.2 119.3 30.1 13.1 46.8 43 43 A P + 0 0 2 0, 0.0 2,-0.5 0, 0.0 139,-0.1 -0.286 55.2 143.8 -66.3 63.9 27.8 16.0 45.7 44 44 A L - 0 0 0 -2,-2.8 132,-0.1 134,-0.1 -2,-0.0 -0.927 57.5-105.6-108.4 123.3 24.5 14.1 45.9 45 45 A V + 0 0 0 -2,-0.5 5,-0.4 130,-0.2 3,-0.1 -0.146 35.9 178.4 -47.9 124.7 21.5 16.2 47.1 46 46 A T + 0 0 1 179,-0.1 209,-3.1 1,-0.1 -1,-0.1 0.710 70.0 73.2-102.2 -25.6 20.4 15.3 50.7 47 47 A T S S+ 0 0 0 207,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.477 112.9 29.0 -70.4 4.2 17.5 17.7 51.3 48 48 A K S S- 0 0 17 207,-0.1 2,-0.4 -3,-0.1 209,-0.2 -0.918 96.8-107.2-159.9 130.5 15.6 15.4 48.9 49 49 A R - 0 0 122 206,-0.6 209,-0.3 -2,-0.3 2,-0.2 -0.497 40.6-161.6 -66.5 122.3 16.1 11.7 48.3 50 50 A C - 0 0 16 -5,-0.4 2,-0.7 -2,-0.4 207,-0.0 -0.690 17.3-123.5-104.7 159.4 17.7 11.2 44.8 51 51 A H > + 0 0 74 -2,-0.2 4,-1.1 1,-0.2 3,-0.3 -0.854 23.9 179.6-107.2 101.5 17.9 8.1 42.7 52 52 A L H > S+ 0 0 27 -2,-0.7 4,-2.8 1,-0.2 5,-0.3 0.852 71.7 73.0 -67.0 -39.1 21.4 7.1 41.8 53 53 A R H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 103.3 40.1 -41.6 -54.9 20.5 4.0 39.8 54 54 A S H > S+ 0 0 10 -3,-0.3 4,-2.4 1,-0.2 5,-0.2 0.909 112.1 56.5 -65.3 -43.1 19.3 6.1 36.9 55 55 A I H X S+ 0 0 0 -4,-1.1 4,-1.4 1,-0.2 -2,-0.2 0.910 111.2 43.7 -54.9 -45.4 22.1 8.7 37.2 56 56 A I H X S+ 0 0 9 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.914 112.1 50.8 -69.5 -44.3 24.7 6.0 36.8 57 57 A H H X S+ 0 0 7 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.890 107.8 53.1 -63.9 -37.1 23.1 4.1 33.9 58 58 A E H X S+ 0 0 4 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.912 109.4 50.0 -63.7 -40.7 22.6 7.2 31.9 59 59 A L H X S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.2 -2,-0.2 0.909 110.6 47.4 -64.5 -43.4 26.3 8.0 32.3 60 60 A L H X S+ 0 0 10 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.903 110.3 54.4 -63.5 -39.1 27.5 4.6 31.2 61 61 A W H <>S+ 0 0 1 -4,-2.3 5,-1.6 -5,-0.2 4,-0.5 0.895 108.6 48.9 -60.6 -40.8 25.1 4.8 28.3 62 62 A F H ><5S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.930 109.1 51.2 -63.6 -50.6 26.8 8.2 27.3 63 63 A L H 3<5S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.763 104.9 58.5 -60.1 -26.3 30.3 6.7 27.5 64 64 A Q T 3<5S- 0 0 104 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.668 111.7-121.9 -77.3 -18.2 29.1 3.8 25.3 65 65 A G T < 5 + 0 0 20 -3,-1.5 2,-0.2 -4,-0.5 -3,-0.2 0.545 60.9 151.1 86.6 10.4 28.2 6.4 22.6 66 66 A D < + 0 0 45 -5,-1.6 29,-0.4 1,-0.1 -1,-0.3 -0.514 26.9 172.6 -80.7 139.5 24.6 5.1 22.6 67 67 A T + 0 0 28 -2,-0.2 23,-1.8 28,-0.1 2,-0.4 0.215 55.5 88.7-128.5 10.3 21.6 7.3 21.7 68 68 A N B > S-F 89 0B 35 21,-0.2 3,-0.7 22,-0.1 4,-0.4 -0.900 72.8-136.0-109.2 141.5 18.8 4.7 21.7 69 69 A I T 3> S+ 0 0 14 19,-2.2 4,-2.5 -2,-0.4 5,-0.2 0.510 79.7 101.0 -78.2 -2.7 17.0 4.0 25.0 70 70 A A H 3> S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 85.4 47.8 -46.1 -48.7 16.9 0.2 24.6 71 71 A Y H <> S+ 0 0 40 -3,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.922 110.7 50.4 -60.2 -45.0 19.8 0.0 27.0 72 72 A L H 4>S+ 0 0 0 -4,-0.4 5,-4.0 1,-0.2 -1,-0.2 0.831 110.6 51.2 -63.8 -30.7 18.2 2.3 29.5 73 73 A H H ><5S+ 0 0 88 -4,-2.5 3,-2.4 3,-0.2 -1,-0.2 0.904 102.0 58.5 -72.6 -41.5 15.0 0.2 29.2 74 74 A E H 3<5S+ 0 0 161 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.865 113.6 40.2 -54.8 -36.2 16.9 -3.1 29.9 75 75 A N T 3<5S- 0 0 58 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.109 119.4-114.2-100.0 20.4 18.0 -1.5 33.2 76 76 A N T < 5 + 0 0 132 -3,-2.4 2,-0.6 1,-0.2 -3,-0.2 0.844 61.2 152.5 49.7 46.0 14.6 0.0 33.7 77 77 A V < + 0 0 1 -5,-4.0 3,-0.2 -8,-0.2 -1,-0.2 -0.932 17.6 177.4-106.1 123.1 15.6 3.7 33.5 78 78 A T > + 0 0 78 -2,-0.6 3,-2.2 1,-0.1 4,-0.3 0.616 45.6 107.6 -99.7 -17.8 12.7 5.8 32.3 79 79 A I T 3 S+ 0 0 14 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.670 85.8 41.1 -36.9 -32.7 14.2 9.3 32.4 80 80 A W T >> S+ 0 0 6 -3,-0.2 3,-1.8 1,-0.1 4,-0.7 0.568 82.0 99.9-100.4 -6.6 14.4 9.6 28.5 81 81 A D G X4 S+ 0 0 56 -3,-2.2 3,-1.3 1,-0.3 -1,-0.1 0.840 73.6 62.7 -43.9 -50.9 11.2 8.0 27.3 82 82 A E G 34 S+ 0 0 98 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.692 109.5 41.2 -54.3 -21.8 9.2 11.3 26.7 83 83 A W G <4 S+ 0 0 55 -3,-1.8 -1,-0.3 5,-0.1 -2,-0.2 0.542 91.1 99.4-107.0 -7.2 11.7 12.4 24.0 84 84 A A << - 0 0 24 -3,-1.3 6,-0.2 -4,-0.7 -16,-0.1 -0.501 66.5-128.7 -81.6 149.3 12.4 9.2 22.1 85 85 A D > - 0 0 65 4,-2.0 3,-1.9 -2,-0.2 -1,-0.1 -0.057 46.2 -73.9 -81.1-169.2 10.7 8.4 18.8 86 86 A E T 3 S+ 0 0 172 1,-0.3 -2,-0.1 2,-0.1 -1,-0.1 0.780 134.9 48.3 -58.4 -30.9 8.8 5.2 18.0 87 87 A N T 3 S- 0 0 112 2,-0.1 -1,-0.3 -18,-0.0 -17,-0.2 0.332 119.4-106.5 -93.2 4.9 12.1 3.3 17.6 88 88 A G S < S+ 0 0 10 -3,-1.9 -19,-2.2 1,-0.3 2,-0.3 0.509 72.6 145.3 82.7 4.8 13.6 4.6 20.9 89 89 A D B -F 68 0B 68 -21,-0.2 -4,-2.0 1,-0.1 -1,-0.3 -0.573 33.0-179.2 -83.2 138.7 16.0 6.9 19.1 90 90 A L - 0 0 4 -23,-1.8 52,-2.7 1,-0.4 53,-0.3 0.443 43.8-126.8-108.2 -8.5 16.9 10.4 20.4 91 91 A G - 0 0 23 -24,-0.3 2,-2.2 50,-0.2 -1,-0.4 -0.454 60.9 -21.3 92.0-167.6 19.1 11.3 17.5 92 92 A P S S+ 0 0 19 0, 0.0 49,-0.2 0, 0.0 5,-0.1 -0.290 91.3 143.3 -75.1 56.3 22.8 12.4 17.7 93 93 A V >> - 0 0 4 -2,-2.2 3,-2.0 47,-0.1 4,-1.2 -0.102 65.2 -42.9 -85.5-170.9 22.7 13.6 21.3 94 94 A Y H 3> S+ 0 0 7 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.637 131.7 48.8 -14.0 -71.7 25.3 13.4 24.1 95 95 A G H 3> S+ 0 0 0 -29,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.840 113.3 47.2 -49.5 -42.0 26.6 9.9 23.6 96 96 A K H <> S+ 0 0 54 -3,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.920 114.2 44.1 -69.9 -46.3 27.1 10.3 19.8 97 97 A Q H X S+ 0 0 0 -4,-1.2 4,-0.7 2,-0.2 14,-0.4 0.888 114.1 52.4 -66.1 -39.7 28.9 13.7 19.9 98 98 A W H < S+ 0 0 3 -4,-2.7 13,-1.4 -5,-0.2 14,-1.0 0.933 123.7 25.4 -60.6 -50.8 31.1 12.6 22.8 99 99 A R H < S+ 0 0 61 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.642 139.1 17.8 -92.1 -17.0 32.3 9.4 21.2 100 100 A A H < + 0 0 23 -4,-2.6 10,-0.2 -5,-0.2 -2,-0.2 -0.267 62.0 178.9-157.2 65.4 31.9 10.3 17.5 101 101 A W E < -G 109 0C 2 8,-2.3 8,-2.3 -4,-0.7 2,-0.3 -0.548 33.7-128.8 -68.2 118.5 31.6 14.0 16.6 102 102 A P E -G 108 0C 11 0, 0.0 6,-0.2 0, 0.0 298,-0.2 -0.567 21.1-156.7 -77.3 128.8 31.4 14.0 12.7 103 103 A T > - 0 0 6 4,-2.4 3,-0.8 -2,-0.3 298,-0.1 -0.408 29.8-110.1 -93.0 173.8 33.7 16.3 10.9 104 104 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 263,-0.1 0.769 114.1 65.6 -76.2 -24.2 33.2 17.6 7.3 105 105 A D T 3 S- 0 0 102 295,-0.2 3,-0.1 1,-0.1 295,-0.0 0.529 121.3-103.2 -73.6 -7.0 36.0 15.5 6.0 106 106 A G S < S+ 0 0 55 -3,-0.8 -1,-0.1 1,-0.3 2,-0.1 0.383 84.5 125.4 97.8 -4.1 34.0 12.3 6.8 107 107 A R - 0 0 168 293,-0.1 -4,-2.4 -5,-0.0 2,-0.4 -0.283 50.5-141.7 -80.7 172.3 36.2 11.6 9.9 108 108 A H E -G 102 0C 99 -6,-0.2 2,-0.5 -3,-0.1 -7,-0.1 -0.999 7.2-145.3-138.5 136.1 34.8 11.1 13.4 109 109 A I E -G 101 0C 42 -8,-2.3 -8,-2.3 -2,-0.4 2,-1.1 -0.909 3.9-152.2-112.3 127.9 36.4 12.3 16.6 110 110 A D > - 0 0 41 -2,-0.5 4,-1.9 -10,-0.2 -11,-0.2 -0.795 16.0-177.7 -94.1 94.6 36.2 10.4 19.9 111 111 A Q H > S+ 0 0 6 -13,-1.4 4,-2.3 -2,-1.1 -12,-0.2 0.766 76.5 55.6 -66.6 -29.8 36.4 13.3 22.4 112 112 A I H > S+ 0 0 0 -14,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.961 110.4 43.5 -69.5 -50.7 36.4 11.1 25.5 113 113 A T H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.912 113.1 56.7 -59.1 -40.2 39.4 9.1 24.4 114 114 A T H X S+ 0 0 63 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.945 107.3 44.3 -57.4 -53.9 41.1 12.3 23.3 115 115 A V H X S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.882 109.1 58.5 -61.5 -36.3 40.8 14.0 26.7 116 116 A L H X S+ 0 0 15 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.938 108.9 45.0 -57.2 -45.8 42.0 10.8 28.4 117 117 A N H X S+ 0 0 87 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.814 113.7 49.4 -67.3 -31.9 45.2 11.0 26.4 118 118 A Q H X S+ 0 0 44 -4,-1.8 4,-2.5 2,-0.2 7,-0.3 0.896 108.5 53.6 -72.8 -40.2 45.5 14.7 27.1 119 119 A L H < S+ 0 0 5 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.880 117.5 37.6 -60.5 -38.6 45.0 14.1 30.8 120 120 A K H < S+ 0 0 115 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.881 129.9 26.7 -82.6 -40.6 47.8 11.6 30.8 121 121 A N H < S+ 0 0 127 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.711 137.1 16.8 -98.8 -22.3 50.3 13.2 28.3 122 122 A D >< + 0 0 82 -4,-2.5 3,-2.5 -5,-0.3 -1,-0.2 -0.310 63.8 160.3-149.0 58.3 49.6 16.9 28.5 123 123 A P T 3 S+ 0 0 40 0, 0.0 31,-0.8 0, 0.0 -4,-0.1 0.633 74.3 63.7 -56.2 -17.2 47.6 17.6 31.7 124 124 A D T 3 S+ 0 0 52 -6,-0.1 161,-0.2 29,-0.1 -5,-0.1 0.527 76.6 122.4 -87.6 -5.2 48.7 21.2 31.6 125 125 A S < - 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