==== 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 19-APR-00 1EV8 . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.PHAN,E.MAHDAVIAN,M.C.NIVENS,W.MINOR,S.BERGER,H.T.SPENCER, . 264 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 15.2 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 19 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 0 2 0 0 0 2 0 1 0 0 0 0 1 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 . 0 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 X >> 0 0 5 0, 0.0 4,-1.7 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0 139.7 21.9 17.1 102.3 2 2 A K H 3> + 0 0 138 1,-0.2 4,-0.7 2,-0.2 0, 0.0 0.801 360.0 41.2 -38.8 -43.8 24.5 14.3 102.3 3 3 A Q H 3> S+ 0 0 59 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.755 108.6 56.5 -82.2 -28.2 21.8 11.5 101.7 4 4 A Y H <> S+ 0 0 0 -3,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.816 103.7 54.7 -73.6 -33.5 19.7 13.3 99.0 5 5 A L H X S+ 0 0 23 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.858 103.0 56.3 -70.4 -33.7 22.7 13.8 96.7 6 6 A E H X S+ 0 0 135 -4,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.874 104.0 51.4 -66.5 -39.3 23.5 10.1 96.6 7 7 A L H X S+ 0 0 0 -4,-1.0 4,-2.2 2,-0.2 5,-0.2 0.962 109.7 52.1 -60.5 -49.7 20.1 9.0 95.4 8 8 A M H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 3,-0.3 0.928 112.0 44.8 -48.9 -52.7 20.5 11.6 92.7 9 9 A Q H X S+ 0 0 82 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.829 110.8 54.4 -64.7 -31.6 23.9 10.2 91.7 10 10 A K H X S+ 0 0 63 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.818 105.4 52.8 -73.3 -30.2 22.6 6.6 91.9 11 11 A V H X S+ 0 0 0 -4,-2.2 4,-1.7 -3,-0.3 -1,-0.2 0.891 109.9 49.3 -70.4 -40.7 19.7 7.3 89.5 12 12 A L H < S+ 0 0 40 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.908 118.7 38.3 -65.3 -41.3 22.3 8.7 87.0 13 13 A D H < S+ 0 0 115 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.2 0.886 132.0 21.6 -78.2 -41.2 24.5 5.6 87.3 14 14 A E H < S+ 0 0 124 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.472 91.1 119.8-109.5 -2.2 22.0 2.8 87.6 15 15 A G < - 0 0 20 -4,-1.7 2,-0.3 -5,-0.3 14,-0.2 -0.307 49.9-143.4 -69.4 147.0 18.8 4.2 86.1 16 16 A T E -A 28 0A 81 12,-2.3 12,-2.1 1,-0.0 2,-0.1 -0.727 22.4-107.1-105.2 156.2 17.1 2.7 83.0 17 17 A Q E +A 27 0A 122 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.475 58.4 110.6 -83.6 155.4 15.4 4.7 80.2 18 18 A K E -A 26 0A 96 8,-1.2 8,-2.4 -2,-0.1 2,-0.2 -0.970 51.6 -88.9 170.0-166.4 11.6 4.8 79.7 19 19 A N E -A 25 0A 113 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.641 20.9-134.1-125.1-178.1 8.6 7.1 79.9 20 20 A D S S- 0 0 58 4,-0.7 2,-7.3 -2,-0.2 3,-0.2 -0.190 76.7 -22.2-114.1-152.4 5.9 8.4 82.4 21 21 A R S S- 0 0 197 1,-0.2 -1,-0.0 -2,-0.1 0, 0.0 0.110 121.0 -67.8 -48.9 34.0 2.1 8.8 82.1 22 22 A T S S+ 0 0 137 -2,-7.3 -1,-0.2 2,-0.1 2,-0.1 0.990 117.8 73.2 69.6 78.2 3.0 8.9 78.4 23 23 A G S S+ 0 0 59 1,-0.3 2,-0.2 -3,-0.2 -1,-0.1 -0.301 79.5 29.9-167.2-102.7 4.9 12.1 77.9 24 24 A T S S- 0 0 33 1,-0.1 -4,-0.7 -2,-0.1 -1,-0.3 -0.532 74.9-111.2 -84.6 147.8 8.5 13.0 78.9 25 25 A G E -A 19 0A 15 -2,-0.2 185,-1.8 -6,-0.2 186,-0.3 -0.259 35.8-177.0 -73.4 162.5 11.3 10.5 79.2 26 26 A T E -AB 18 209A 3 -8,-2.4 -8,-1.2 183,-0.2 2,-0.4 -0.916 28.6-129.9-149.7 172.3 12.9 9.5 82.5 27 27 A L E -AB 17 208A 32 181,-1.6 181,-1.8 -2,-0.3 2,-0.3 -0.986 41.9-176.4-124.9 131.6 15.7 7.4 84.0 28 28 A S E -AB 16 207A 8 -12,-2.1 -12,-2.3 -2,-0.4 2,-0.3 -0.953 25.6-168.4-140.6 160.6 14.4 5.2 86.8 29 29 A I E - B 0 206A 21 177,-1.6 177,-2.0 -2,-0.3 2,-0.5 -0.948 21.3-133.7-137.2 152.2 15.2 2.6 89.5 30 30 A F E S+ B 0 205A 168 -2,-0.3 175,-0.2 175,-0.2 174,-0.1 -0.952 71.2 18.2-117.3 118.8 12.9 0.5 91.6 31 31 A G E + 0 0 45 173,-1.6 2,-0.3 -2,-0.5 173,-0.2 0.671 60.5 161.4 93.9 110.8 13.4 0.2 95.4 32 32 A H E - B 0 203A 43 171,-1.2 171,-1.8 -3,-0.1 2,-0.3 -0.985 13.3-168.0-153.9 156.7 15.3 2.6 97.7 33 33 A Q E + B 0 202A 113 -2,-0.3 2,-0.3 169,-0.2 169,-0.2 -0.956 7.2 173.0-154.1 130.9 15.6 3.5 101.4 34 34 A M E - B 0 201A 16 167,-1.9 167,-2.4 -2,-0.3 2,-0.4 -0.928 16.9-142.5-135.2 161.6 17.2 6.2 103.5 35 35 A R E - B 0 200A 143 -2,-0.3 2,-0.5 165,-0.2 165,-0.2 -0.963 5.2-164.8-127.8 142.0 17.3 7.4 107.1 36 36 A F E - B 0 199A 6 163,-1.6 163,-1.2 -2,-0.4 2,-1.0 -0.924 16.1-144.9-128.4 107.9 17.3 10.8 108.8 37 37 A N E > - B 0 198A 68 -2,-0.5 3,-2.5 161,-0.2 161,-0.2 -0.586 12.0-157.4 -70.4 104.0 18.2 11.1 112.5 38 38 A L G > S+ 0 0 7 159,-2.1 3,-1.4 -2,-1.0 -1,-0.2 0.726 86.2 71.4 -57.8 -21.3 15.9 14.0 113.4 39 39 A Q G 3 S+ 0 0 100 158,-0.5 -1,-0.3 1,-0.3 3,-0.1 0.674 89.5 62.9 -68.9 -16.7 18.2 14.8 116.4 40 40 A D G < S- 0 0 113 -3,-2.5 187,-0.3 1,-0.3 -1,-0.3 0.171 120.8 -75.8 -95.7 19.9 20.8 16.1 113.9 41 41 A G < - 0 0 21 -3,-1.4 -1,-0.3 185,-0.1 188,-0.2 -0.175 63.6 -48.1 110.4 158.4 18.6 18.9 112.6 42 42 A F - 0 0 4 186,-1.5 2,-1.5 1,-0.1 137,-0.1 -0.460 52.3-131.2 -65.3 127.3 15.6 19.6 110.3 43 43 A P + 0 0 4 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.191 53.5 144.2 -77.8 47.7 16.2 17.7 107.0 44 44 A L - 0 0 5 -2,-1.5 6,-0.1 135,-0.1 132,-0.1 -0.791 58.8-106.2 -91.1 114.4 15.3 20.7 104.7 45 45 A V - 0 0 2 -2,-0.7 5,-0.3 1,-0.1 3,-0.2 -0.008 33.7-176.6 -41.4 128.5 17.6 20.7 101.6 46 46 A T + 0 0 0 179,-0.2 209,-2.1 1,-0.1 -1,-0.1 0.566 69.1 81.5-104.8 -13.8 20.3 23.3 101.6 47 47 A T S S+ 0 0 0 207,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.427 109.4 17.4 -72.8 0.7 21.8 22.6 98.1 48 48 A K S S- 0 0 12 -3,-0.2 2,-0.4 207,-0.1 209,-0.2 -0.928 97.8 -93.1-164.6 149.0 19.0 24.7 96.7 49 49 A R + 0 0 126 -2,-0.3 209,-0.3 205,-0.1 2,-0.3 -0.615 47.4 172.4 -80.6 129.2 16.6 27.3 98.3 50 50 A X - 0 0 40 -2,-0.4 2,-0.3 -5,-0.3 -6,-0.0 -0.819 19.5-142.5-127.9 165.5 13.2 26.0 99.6 51 51 A H - 0 0 128 -2,-0.3 4,-0.3 1,-0.1 3,-0.2 -0.951 9.1-156.4-131.6 149.3 10.3 27.3 101.6 52 52 A L S > S+ 0 0 23 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 0.427 70.6 97.2-103.9 1.3 8.0 25.7 104.2 53 53 A R H > S+ 0 0 110 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.833 92.8 34.7 -58.3 -42.0 5.0 28.1 103.7 54 54 A S H > S+ 0 0 36 2,-0.2 4,-2.7 -3,-0.2 5,-0.2 0.864 116.1 57.6 -80.6 -38.8 3.0 25.8 101.4 55 55 A I H > S+ 0 0 2 -4,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.909 109.5 44.6 -55.9 -46.1 4.3 22.7 103.2 56 56 A I H X S+ 0 0 15 -4,-3.0 4,-1.9 2,-0.2 5,-0.2 0.950 112.7 49.8 -65.6 -50.1 2.8 24.0 106.5 57 57 A H H X S+ 0 0 7 -4,-1.4 4,-1.0 -5,-0.2 -2,-0.2 0.907 109.5 51.9 -56.7 -45.0 -0.5 25.1 105.1 58 58 A E H X S+ 0 0 15 -4,-2.7 4,-2.3 2,-0.2 3,-0.3 0.913 108.0 51.3 -59.9 -44.9 -1.1 21.8 103.3 59 59 A L H X S+ 0 0 4 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.945 107.8 49.5 -59.1 -52.2 -0.4 19.6 106.5 60 60 A L H X S+ 0 0 21 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.777 111.4 53.8 -58.9 -23.0 -2.9 21.5 108.7 61 61 A W H <>S+ 0 0 9 -4,-1.0 5,-0.6 -3,-0.3 3,-0.4 0.916 107.1 48.9 -75.4 -46.9 -5.3 21.0 105.8 62 62 A F H ><5S+ 0 0 2 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.923 108.1 55.0 -57.7 -47.5 -4.8 17.2 105.7 63 63 A L H 3<5S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.794 102.7 55.8 -58.8 -30.9 -5.3 17.0 109.5 64 64 A Q T 3<5S- 0 0 113 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.478 102.6-132.3 -82.3 -3.5 -8.7 18.7 109.3 65 65 A G T < 5 + 0 0 18 -3,-1.7 2,-0.2 -4,-0.4 -3,-0.1 0.445 59.7 131.2 69.9 0.7 -10.0 16.2 106.8 66 66 A D < - 0 0 100 -5,-0.6 29,-0.2 1,-0.1 -1,-0.2 -0.558 36.9-169.0 -84.1 154.5 -11.6 18.6 104.3 67 67 A T + 0 0 24 -2,-0.2 23,-0.4 28,-0.1 2,-0.3 0.321 53.6 100.7-125.9 6.7 -10.7 18.1 100.7 68 68 A N S S- 0 0 40 21,-0.2 3,-0.4 22,-0.1 4,-0.2 -0.733 72.5-130.7 -90.8 144.2 -12.1 21.3 99.1 69 69 A I S > S+ 0 0 19 19,-2.3 4,-2.2 -2,-0.3 5,-0.2 0.242 75.0 109.0 -83.8 14.5 -9.3 23.8 98.3 70 70 A A H > S+ 0 0 51 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.944 79.7 47.7 -53.1 -56.6 -11.0 26.9 99.9 71 71 A Y H > S+ 0 0 75 -3,-0.4 4,-1.7 1,-0.3 -1,-0.2 0.886 112.8 49.8 -53.8 -41.8 -8.6 27.2 102.9 72 72 A L H 4>S+ 0 0 1 -4,-0.2 5,-3.6 1,-0.2 -1,-0.3 0.875 112.3 49.3 -65.6 -35.3 -5.6 26.8 100.6 73 73 A H H ><5S+ 0 0 126 -4,-2.2 3,-1.3 3,-0.2 -2,-0.2 0.859 103.9 56.9 -73.1 -37.7 -7.1 29.5 98.4 74 74 A E H 3<5S+ 0 0 137 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.942 113.2 42.6 -57.4 -45.4 -7.7 32.0 101.2 75 75 A N T 3<5S- 0 0 43 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.301 118.8-108.7 -86.0 8.4 -4.0 31.7 102.1 76 76 A N T < 5 + 0 0 124 -3,-1.3 2,-0.6 1,-0.2 -3,-0.2 0.861 65.2 149.9 69.3 35.0 -2.8 31.9 98.5 77 77 A V < + 0 0 1 -5,-3.6 -1,-0.2 -8,-0.2 3,-0.1 -0.901 15.2 172.5 -99.3 126.5 -1.6 28.3 98.2 78 78 A T > + 0 0 88 -2,-0.6 3,-1.2 1,-0.1 4,-0.5 0.360 42.0 105.5-119.6 8.1 -2.0 27.1 94.6 79 79 A I T 3 S+ 0 0 66 1,-0.2 3,-0.2 2,-0.1 4,-0.1 0.731 86.2 45.1 -61.7 -26.8 -0.4 23.6 94.4 80 80 A W T >> S+ 0 0 21 1,-0.1 4,-1.1 -3,-0.1 3,-0.9 0.478 86.6 92.8 -96.7 -1.3 -3.7 21.7 94.2 81 81 A D G X4 S+ 0 0 69 -3,-1.2 3,-0.8 1,-0.2 -1,-0.1 0.909 74.7 64.8 -55.3 -49.2 -5.3 24.1 91.6 82 82 A E G 34 S+ 0 0 163 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.781 113.0 32.9 -44.3 -37.6 -4.2 22.0 88.6 83 83 A W G <4 S+ 0 0 66 -3,-0.9 -1,-0.3 -4,-0.1 -2,-0.2 0.582 95.3 104.2-101.5 -13.1 -6.4 19.0 89.8 84 84 A A << - 0 0 25 -4,-1.1 6,-0.2 -3,-0.8 2,-0.1 -0.298 60.3-136.0 -71.5 156.1 -9.3 20.8 91.4 85 85 A D > - 0 0 59 4,-2.0 3,-1.2 -2,-0.0 -1,-0.1 -0.277 38.9 -73.5 -98.9-169.7 -12.7 21.1 89.7 86 86 A E T 3 S+ 0 0 177 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.802 131.2 42.4 -57.0 -38.9 -15.2 23.9 89.3 87 87 A N T 3 S- 0 0 127 2,-0.1 -1,-0.3 -19,-0.0 -3,-0.0 0.526 121.2-104.3 -87.7 -3.0 -16.5 23.9 92.8 88 88 A G S < S+ 0 0 10 -3,-1.2 -19,-2.3 1,-0.3 2,-0.2 0.628 75.9 141.5 90.8 15.0 -13.0 23.5 94.2 89 89 A D - 0 0 65 -21,-0.2 -4,-2.0 -20,-0.1 -1,-0.3 -0.623 33.2-176.8 -91.4 151.3 -13.5 19.8 95.0 90 90 A L - 0 0 6 -23,-0.4 52,-1.6 1,-0.4 53,-0.3 0.253 44.3-111.6-127.1 4.7 -10.8 17.0 94.5 91 91 A G - 0 0 25 50,-0.2 2,-1.8 1,-0.1 -1,-0.4 -0.354 66.1 -33.8 87.3-175.1 -12.7 13.9 95.5 92 92 A P S S+ 0 0 19 0, 0.0 49,-0.1 0, 0.0 -1,-0.1 -0.428 85.9 152.7 -83.5 68.5 -11.9 11.8 98.6 93 93 A V >> - 0 0 3 -2,-1.8 4,-1.4 47,-0.1 3,-0.6 0.326 57.5 -42.7 -75.4-153.2 -8.1 12.4 98.7 94 94 A Y H >> S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 3,-1.2 0.900 129.2 45.9 -40.9 -78.2 -5.7 12.3 101.7 95 95 A G H 3> S+ 0 0 1 1,-0.3 4,-1.5 -29,-0.2 -1,-0.2 0.716 110.5 57.1 -43.0 -32.3 -7.4 14.2 104.5 96 96 A K H <> S+ 0 0 50 -3,-0.6 4,-1.8 2,-0.2 -1,-0.3 0.885 110.9 40.3 -70.4 -43.0 -10.6 12.3 103.9 97 97 A Q H + 0 0 39 -2,-0.5 4,-1.9 -10,-0.2 -11,-0.2 -0.751 18.8 176.6 -92.4 91.1 -10.6 8.5 112.4 111 111 A Q H > S+ 0 0 28 -2,-1.1 4,-2.4 -13,-0.8 -1,-0.2 0.829 75.9 54.6 -66.3 -33.7 -7.2 7.0 111.9 112 112 A I H > S+ 0 0 6 -14,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.939 110.4 45.2 -67.0 -46.0 -5.3 9.9 113.3 113 113 A T H > S+ 0 0 50 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.885 112.9 52.2 -64.6 -37.5 -7.2 9.9 116.6 114 114 A T H X S+ 0 0 65 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.924 107.0 54.2 -61.7 -45.5 -6.8 6.0 116.7 115 115 A V H X S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.841 106.5 48.7 -60.0 -39.2 -3.0 6.5 116.2 116 116 A L H X S+ 0 0 17 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.871 107.9 55.2 -70.1 -37.0 -2.5 8.9 119.2 117 117 A N H X S+ 0 0 80 -4,-1.6 4,-2.7 1,-0.2 5,-0.3 0.928 109.6 48.5 -59.4 -45.6 -4.5 6.6 121.5 118 118 A Q H X S+ 0 0 41 -4,-1.9 4,-3.3 2,-0.2 7,-0.2 0.930 112.1 44.4 -61.4 -52.1 -2.1 3.7 120.6 119 119 A L H < S+ 0 0 8 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.833 119.3 46.8 -62.5 -32.0 1.2 5.5 121.1 120 120 A K H < S+ 0 0 89 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.842 128.6 20.0 -80.3 -35.7 -0.3 6.9 124.3 121 121 A N H < S+ 0 0 114 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.615 138.5 21.0-110.7 -16.4 -1.7 3.7 125.8 122 122 A D >< + 0 0 89 -4,-3.3 3,-2.1 -5,-0.3 -2,-0.1 -0.312 64.6 168.5-152.5 59.1 0.1 0.8 124.1 123 123 A P T 3 S+ 0 0 49 0, 0.0 31,-0.5 0, 0.0 -4,-0.1 0.506 72.7 61.6 -52.7 -12.0 3.4 2.1 122.7 124 124 A D T 3 S+ 0 0 130 -6,-0.1 -5,-0.1 29,-0.1 -6,-0.0 0.346 73.9 127.3-101.5 8.0 4.8 -1.3 121.8 125 125 A S < - 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