==== 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 13-SEP-97 1JMF . 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) . 15759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 72.2 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 . 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 . 26 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 29.1 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 1 0 2 2 0 1 0 1 1 1 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 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 0 144 0, 0.0 3,-1.6 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 142.3 5.4 25.8 -41.7 2 2 A L T 3 + 0 0 29 1,-0.3 4,-0.2 2,-0.1 37,-0.1 0.864 360.0 49.4 -52.9 -48.9 4.5 29.5 -42.2 3 3 A E T >> S+ 0 0 8 1,-0.2 4,-1.4 2,-0.1 3,-1.2 0.435 80.8 103.9 -75.9 4.6 7.7 30.8 -43.8 4 4 A Q H <> S+ 0 0 67 -3,-1.6 4,-3.0 1,-0.3 3,-0.3 0.901 70.5 61.1 -53.5 -45.0 7.7 27.9 -46.3 5 5 A P H 3> S+ 0 0 32 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.809 104.3 51.3 -52.9 -31.0 6.4 30.2 -49.1 6 6 A Y H <> S+ 0 0 0 -3,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.914 110.4 46.0 -73.2 -43.3 9.6 32.2 -48.8 7 7 A L H X S+ 0 0 9 -4,-1.4 4,-3.2 -3,-0.3 5,-0.2 0.924 114.0 51.2 -63.6 -40.1 11.9 29.2 -49.0 8 8 A D H X S+ 0 0 86 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.956 108.8 49.8 -59.4 -52.2 9.8 28.1 -51.9 9 9 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.897 114.2 46.2 -53.9 -45.1 10.2 31.5 -53.6 10 10 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 3,-0.2 0.972 112.0 48.3 -63.8 -53.3 14.0 31.3 -53.0 11 11 A K H X S+ 0 0 124 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.879 111.7 53.7 -54.0 -40.7 14.4 27.8 -54.3 12 12 A K H X>S+ 0 0 77 -4,-2.7 4,-2.8 -5,-0.2 5,-0.8 0.878 103.6 52.1 -61.6 -48.9 12.4 28.7 -57.3 13 13 A V H X5S+ 0 0 0 -4,-1.9 4,-1.1 -3,-0.2 -1,-0.2 0.891 107.0 54.3 -61.4 -36.7 14.4 31.6 -58.4 14 14 A L H <5S+ 0 0 45 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.957 120.1 34.5 -58.6 -47.3 17.5 29.5 -58.3 15 15 A D H <5S+ 0 0 104 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.980 133.4 20.4 -72.0 -68.0 15.7 27.0 -60.6 16 16 A E H <5S+ 0 0 102 -4,-2.8 2,-0.3 -5,-0.1 -3,-0.2 0.589 94.8 119.1 -80.9 -13.1 13.5 29.0 -63.0 17 17 A G << - 0 0 8 -4,-1.1 2,-0.2 -5,-0.8 14,-0.2 -0.393 52.7-152.3 -63.0 118.8 15.4 32.2 -62.6 18 18 A H E -A 30 0A 148 12,-1.6 12,-3.2 -2,-0.3 2,-0.1 -0.630 28.5-101.3 -88.0 145.8 16.9 33.5 -65.8 19 19 A F E +A 29 0A 120 -2,-0.2 10,-0.2 10,-0.2 -1,-0.1 -0.412 46.3 174.0 -65.8 145.4 20.0 35.7 -65.4 20 20 A K E -A 28 0A 96 8,-3.1 8,-1.7 -2,-0.1 2,-0.1 -0.952 24.6-132.9-157.6 126.6 19.4 39.4 -65.8 21 21 A P E -A 27 0A 93 0, 0.0 2,-0.3 0, 0.0 6,-0.2 -0.332 31.6-168.9 -74.4 166.9 21.8 42.4 -65.3 22 22 A D - 0 0 38 4,-0.7 6,-0.0 2,-0.3 0, 0.0 -0.847 35.8 -77.7-149.3-176.8 20.7 45.4 -63.3 23 23 A R S S+ 0 0 164 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.969 118.1 51.6 -46.5 -76.6 21.2 49.0 -62.0 24 24 A T S S- 0 0 12 1,-0.2 2,-1.1 291,-0.1 -2,-0.3 -0.546 108.2-117.2 -61.3 130.9 24.0 48.2 -59.5 25 25 A H S S+ 0 0 176 291,-0.7 2,-0.2 -2,-0.2 -1,-0.2 0.140 79.7 116.1 -70.9 32.3 26.2 46.3 -61.9 26 26 A T S S- 0 0 22 -2,-1.1 -4,-0.7 289,-0.1 2,-0.2 -0.551 70.7-112.0 -89.3 155.2 25.9 43.1 -59.9 27 27 A G E -A 21 0A 13 -2,-0.2 235,-3.1 -6,-0.2 236,-0.3 -0.614 33.4-162.7 -88.9 155.1 24.2 40.2 -61.8 28 28 A T E -AB 20 261A 3 -8,-1.7 -8,-3.1 233,-0.3 2,-0.6 -0.962 21.5-136.9-137.3 153.8 20.8 38.9 -60.7 29 29 A Y E -AB 19 260A 75 231,-1.5 231,-2.1 -2,-0.3 2,-0.3 -0.966 41.9-166.9-104.5 121.2 18.7 35.8 -61.3 30 30 A S E -AB 18 259A 12 -12,-3.2 -12,-1.6 -2,-0.6 2,-0.4 -0.890 29.3-177.2-126.6 150.4 15.2 37.0 -61.9 31 31 A I E - B 0 258A 17 227,-2.2 227,-1.8 -2,-0.3 2,-0.5 -0.967 20.0-145.7-131.5 146.0 11.6 36.0 -62.1 32 32 A F E + B 0 257A 164 -2,-0.4 225,-0.2 225,-0.2 224,-0.1 -0.970 68.6 19.8-118.8 126.7 8.8 38.3 -62.9 33 33 A G E + 0 0 48 223,-2.0 2,-0.3 -2,-0.5 -1,-0.2 0.736 68.3 151.5 83.5 104.9 5.3 37.9 -61.4 34 34 A H E - B 0 255A 40 221,-1.0 221,-3.7 -3,-0.1 2,-0.4 -0.944 20.0-168.5-161.2 147.1 5.0 35.9 -58.2 35 35 A Q E - B 0 254A 96 -2,-0.3 2,-0.3 219,-0.3 219,-0.2 -0.998 4.4-176.5-144.5 137.3 2.7 35.9 -55.3 36 36 A M E - B 0 253A 10 217,-2.5 217,-1.5 -2,-0.4 2,-0.4 -0.846 12.5-144.1-126.4 171.5 2.9 34.2 -51.9 37 37 A R E - B 0 252A 119 -2,-0.3 2,-0.4 215,-0.2 215,-0.2 -0.939 8.6-168.1-150.4 120.6 0.5 34.0 -49.0 38 38 A F E - B 0 251A 1 213,-2.9 213,-2.7 -2,-0.4 2,-1.2 -0.889 19.7-141.1-108.6 131.6 1.0 33.9 -45.2 39 39 A D E > - B 0 250A 49 -2,-0.4 3,-2.7 211,-0.2 4,-0.4 -0.761 13.9-160.9 -90.9 93.1 -2.0 33.1 -42.9 40 40 A L T 3 S+ 0 0 5 -2,-1.2 210,-0.1 209,-1.0 -1,-0.1 0.442 82.7 71.1 -56.4 -1.5 -1.2 35.6 -40.1 41 41 A S T 3 S+ 0 0 66 208,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.669 89.6 59.3 -87.9 -20.0 -3.4 33.5 -37.8 42 42 A K S < S- 0 0 154 -3,-2.7 2,-0.3 1,-0.3 237,-0.2 0.662 124.1 -70.7 -81.1 -16.1 -0.9 30.7 -37.6 43 43 A G - 0 0 12 -4,-0.4 -1,-0.3 235,-0.1 238,-0.2 -0.909 65.9 -48.3 151.2-176.2 1.8 32.9 -36.2 44 44 A F - 0 0 1 236,-3.1 2,-2.2 -2,-0.3 187,-0.1 -0.807 43.9-135.2 -93.3 123.5 4.1 35.8 -37.1 45 45 A P + 0 0 2 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.101 54.5 138.2 -68.8 41.2 6.1 35.3 -40.4 46 46 A L - 0 0 2 -2,-2.2 -43,-0.1 234,-0.1 182,-0.1 -0.785 65.6-104.6 -86.9 124.4 9.5 36.5 -39.0 47 47 A L - 0 0 2 -2,-0.5 5,-0.5 180,-0.2 3,-0.2 -0.263 33.8-174.2 -52.9 134.9 12.0 34.0 -40.5 48 48 A T S S+ 0 0 1 229,-0.1 259,-2.0 1,-0.1 -1,-0.1 0.454 76.8 74.4-105.7 -5.3 13.3 31.4 -38.1 49 49 A T S S+ 0 0 0 1,-0.3 2,-0.2 257,-0.2 -1,-0.1 0.235 114.8 9.9 -89.9 9.0 15.8 30.0 -40.6 50 50 A K S S- 0 0 16 -3,-0.2 2,-0.4 257,-0.1 -1,-0.3 -0.729 95.9 -95.3 176.6 134.4 18.1 33.0 -40.1 51 51 A K - 0 0 130 256,-0.7 259,-0.2 -2,-0.2 -3,-0.1 -0.512 35.1-167.5 -67.9 120.3 17.8 35.7 -37.5 52 52 A V - 0 0 4 -5,-0.5 2,-1.4 -2,-0.4 3,-0.1 -0.919 27.9-120.2-106.2 131.5 16.0 38.9 -38.7 53 53 A P >> - 0 0 58 0, 0.0 4,-1.4 0, 0.0 3,-1.1 -0.585 27.6-174.4 -76.6 92.9 16.3 41.9 -36.4 54 54 A F H 3> S+ 0 0 15 -2,-1.4 4,-3.1 1,-0.3 5,-0.2 0.822 80.0 65.1 -54.6 -34.3 12.7 42.6 -35.3 55 55 A G H 3> S+ 0 0 34 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.889 101.0 48.6 -58.1 -42.1 13.8 45.8 -33.5 56 56 A L H <> S+ 0 0 49 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.924 113.8 46.0 -63.9 -45.5 14.9 47.4 -36.8 57 57 A I H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.935 114.6 49.3 -61.7 -46.4 11.6 46.5 -38.5 58 58 A K H X S+ 0 0 35 -4,-3.1 4,-2.0 1,-0.2 5,-0.2 0.958 112.4 43.9 -60.4 -54.8 9.6 47.8 -35.5 59 59 A S H X S+ 0 0 1 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.840 114.7 51.7 -65.4 -28.0 11.3 51.1 -35.1 60 60 A E H X S+ 0 0 21 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.963 107.9 49.7 -70.2 -52.3 11.2 51.7 -38.8 61 61 A L H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.857 109.4 51.9 -54.9 -40.2 7.5 51.0 -39.2 62 62 A L H X S+ 0 0 3 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.933 105.6 55.3 -62.6 -44.6 6.6 53.4 -36.3 63 63 A W H ><>S+ 0 0 0 -4,-1.5 5,-1.8 1,-0.2 3,-0.7 0.920 110.5 46.7 -52.5 -44.9 8.7 56.1 -38.0 64 64 A F H ><5S+ 0 0 7 -4,-2.0 3,-2.3 1,-0.2 -1,-0.2 0.933 108.4 54.0 -63.7 -50.3 6.5 55.5 -41.0 65 65 A L H 3<5S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.625 103.5 58.1 -60.9 -16.6 3.3 55.6 -39.0 66 66 A H T <<5S- 0 0 73 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.302 109.5-122.9 -92.8 2.3 4.3 59.0 -37.6 67 67 A G T < 5 + 0 0 27 -3,-2.3 2,-0.2 1,-0.2 -3,-0.2 0.772 63.5 151.2 59.5 26.7 4.5 60.5 -41.1 68 68 A D < + 0 0 48 -5,-1.8 79,-0.3 -6,-0.2 -1,-0.2 -0.610 31.9 176.9 -91.4 145.6 8.1 61.3 -40.1 69 69 A T + 0 0 18 -2,-0.2 73,-2.7 78,-0.2 2,-0.3 0.250 47.4 106.8-130.9 9.4 10.8 61.5 -42.7 70 70 A N B > -F 141 0B 25 71,-0.2 3,-0.7 72,-0.1 4,-0.5 -0.727 62.9-142.5 -98.0 142.0 13.8 62.5 -40.5 71 71 A I T >> S+ 0 0 0 69,-2.7 4,-2.7 -2,-0.3 3,-0.7 0.771 86.9 86.2 -69.7 -26.0 16.6 60.2 -39.5 72 72 A R H 3> S+ 0 0 49 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.830 88.8 50.3 -46.2 -39.6 16.8 61.6 -36.0 73 73 A F H <4 S+ 0 0 33 -3,-0.7 4,-0.4 2,-0.2 -1,-0.3 0.896 110.6 46.4 -68.9 -43.3 14.1 59.2 -34.8 74 74 A L H X4>S+ 0 0 1 -3,-0.7 5,-2.6 -4,-0.5 3,-1.8 0.949 112.6 51.6 -66.0 -42.1 15.7 56.1 -36.2 75 75 A L H ><5S+ 0 0 13 -4,-2.7 3,-2.4 1,-0.3 -2,-0.2 0.907 103.3 57.3 -58.7 -43.2 19.1 57.1 -34.8 76 76 A Q T 3<5S+ 0 0 123 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.658 110.0 48.5 -61.0 -14.8 17.4 57.6 -31.4 77 77 A H T < 5S- 0 0 52 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.154 118.0-110.5-111.5 18.0 16.5 54.0 -31.9 78 78 A R T < 5S+ 0 0 214 -3,-2.4 2,-0.4 1,-0.3 -3,-0.2 0.541 76.8 137.7 65.0 7.2 20.0 52.7 -32.9 79 79 A N < + 0 0 0 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.2 -0.702 22.6 164.0 -88.0 129.8 18.4 52.2 -36.3 80 80 A H > + 0 0 94 -2,-0.4 3,-2.3 -3,-0.1 4,-0.4 0.223 34.4 121.1-128.0 12.9 20.7 53.2 -39.2 81 81 A I T 3 S+ 0 0 69 1,-0.3 3,-0.1 2,-0.1 4,-0.1 0.747 85.5 38.8 -49.6 -27.5 18.9 51.5 -42.1 82 82 A W T >> S+ 0 0 37 1,-0.1 4,-1.0 2,-0.1 3,-0.5 0.301 83.1 106.6-109.4 10.3 18.5 54.9 -43.8 83 83 A D H X> S+ 0 0 10 -3,-2.3 4,-3.2 1,-0.2 3,-1.2 0.931 75.1 54.4 -53.4 -60.2 21.8 56.7 -43.0 84 84 A E H 3> S+ 0 0 88 -4,-0.4 4,-2.3 1,-0.3 -1,-0.2 0.793 103.6 59.9 -46.9 -33.7 23.5 56.5 -46.4 85 85 A W H <4 S+ 0 0 80 -3,-0.5 4,-0.4 2,-0.2 -1,-0.3 0.884 115.1 31.4 -66.5 -39.5 20.4 58.2 -47.8 86 86 A A H XX S+ 0 0 0 -3,-1.2 4,-1.6 -4,-1.0 3,-0.8 0.854 117.3 58.3 -83.7 -38.0 20.7 61.3 -45.7 87 87 A F H 3X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.855 99.7 57.3 -58.2 -41.3 24.5 61.1 -45.6 88 88 A E H 3X S+ 0 0 100 -4,-2.3 4,-1.2 -5,-0.3 -1,-0.2 0.756 104.8 51.8 -64.4 -27.0 24.8 61.3 -49.4 89 89 A K H <4 S+ 0 0 69 -3,-0.8 4,-0.3 -4,-0.4 -1,-0.2 0.897 108.5 53.1 -74.2 -40.2 22.9 64.6 -49.3 90 90 A W H >< S+ 0 0 16 -4,-1.6 3,-1.0 49,-0.2 6,-0.7 0.895 108.7 48.1 -59.5 -46.5 25.5 65.8 -46.7 91 91 A V H 3< S+ 0 0 27 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.804 109.1 51.8 -70.1 -29.6 28.5 64.9 -48.8 92 92 A K T 3< S+ 0 0 151 -4,-1.2 2,-0.3 -5,-0.2 -1,-0.2 0.403 98.1 95.2 -87.0 3.5 27.2 66.6 -52.0 93 93 A S S X S- 0 0 16 -3,-1.0 3,-0.6 -4,-0.3 -3,-0.0 -0.664 86.8-110.2-100.6 157.5 26.6 69.8 -50.1 94 94 A D T 3 S+ 0 0 150 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.1 0.729 111.6 55.3 -48.5 -36.6 28.6 73.0 -49.6 95 95 A E T 3 S+ 0 0 81 1,-0.1 2,-1.4 -5,-0.1 -1,-0.2 0.913 76.7 98.2 -71.1 -42.6 29.3 72.3 -45.9 96 96 A Y < + 0 0 23 -6,-0.7 2,-1.1 -3,-0.6 -1,-0.1 -0.191 42.4 166.6 -53.0 85.3 30.9 68.8 -46.2 97 97 A H + 0 0 159 -2,-1.4 -1,-0.1 0, 0.0 -3,-0.0 -0.777 37.9 107.9-102.2 81.5 34.5 69.8 -46.0 98 98 A G S S- 0 0 40 -2,-1.1 3,-0.1 1,-0.3 -2,-0.0 -0.726 70.2 -56.4-139.5-168.6 35.8 66.4 -45.4 99 99 A P S S- 0 0 59 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.077 77.1 -56.4 -67.1-178.4 37.8 63.5 -47.2 100 100 A D + 0 0 75 1,-0.2 3,-0.0 3,-0.0 18,-0.0 -0.394 62.9 152.5 -60.8 134.1 36.9 61.7 -50.4 101 101 A M > + 0 0 4 -3,-0.1 3,-2.4 -10,-0.1 4,-0.2 0.362 19.2 130.3-145.7 -3.2 33.4 60.3 -50.2 102 102 A T T 3 S+ 0 0 109 1,-0.3 5,-0.1 2,-0.1 -2,-0.0 -0.423 90.5 4.2 -62.2 123.9 32.1 60.1 -53.7 103 103 A D T >> S+ 0 0 105 -2,-0.2 4,-2.4 3,-0.1 3,-0.7 0.642 87.4 159.3 72.6 20.1 30.8 56.6 -54.3 104 104 A F H <> + 0 0 13 -3,-2.4 4,-2.2 1,-0.2 -2,-0.1 0.802 63.5 54.0 -39.4 -52.5 31.5 55.8 -50.6 105 105 A G H 3> S+ 0 0 22 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.904 113.6 39.9 -55.2 -48.3 29.2 52.8 -50.4 106 106 A H H X> S+ 0 0 76 -3,-0.7 3,-1.5 1,-0.2 4,-0.5 0.944 114.4 52.9 -68.0 -48.0 30.6 50.9 -53.3 107 107 A R H >< S+ 0 0 67 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.815 94.3 71.7 -57.4 -32.6 34.2 51.8 -52.5 108 108 A S H >< S+ 0 0 28 -4,-2.2 3,-1.0 -5,-0.3 -1,-0.3 0.849 87.3 66.8 -52.9 -34.4 33.7 50.5 -48.9 109 109 A Q H << S+ 0 0 63 -3,-1.5 2,-0.3 -4,-0.6 -1,-0.3 0.896 117.4 21.0 -53.6 -47.6 33.6 47.0 -50.5 110 110 A K T << S- 0 0 160 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.1 -0.623 91.8-169.5-124.3 70.4 37.3 47.3 -51.5 111 111 A D < - 0 0 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