==== 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 17-SEP-97 1TVV . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR J.FINER-MOORE,R.M.STROUD . 317 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15648.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 72.6 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 . 41 12.9 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 . 28 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 30.9 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 0 2 3 0 1 0 1 1 1 0 0 0 0 0 0 2 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 0 139 0, 0.0 3,-1.7 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 138.5 5.5 25.8 -41.8 2 2 A L T 3 + 0 0 34 1,-0.3 37,-0.1 2,-0.1 41,-0.1 0.776 360.0 51.1 -53.0 -37.9 4.4 29.4 -42.2 3 3 A E T >> S+ 0 0 10 1,-0.2 4,-1.4 2,-0.1 3,-0.5 0.291 74.3 108.4 -89.6 11.3 7.5 30.7 -44.0 4 4 A Q H <> S+ 0 0 71 -3,-1.7 4,-2.7 1,-0.2 3,-0.5 0.919 70.9 61.5 -54.0 -46.7 7.5 28.0 -46.6 5 5 A P H 3> S+ 0 0 33 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.883 101.8 52.3 -47.5 -44.1 6.5 30.4 -49.4 6 6 A Y H <> S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.912 110.4 47.0 -62.4 -41.2 9.7 32.5 -48.8 7 7 A L H X S+ 0 0 11 -4,-1.4 4,-3.4 -3,-0.5 5,-0.2 0.945 112.9 50.3 -64.0 -44.5 11.9 29.3 -49.2 8 8 A D H X S+ 0 0 79 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.868 108.8 50.4 -59.5 -42.5 9.9 28.3 -52.3 9 9 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.918 113.9 47.2 -61.7 -42.1 10.4 31.8 -53.8 10 10 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.958 115.4 43.0 -64.5 -50.5 14.1 31.4 -53.0 11 11 A K H X S+ 0 0 99 -4,-3.4 4,-1.9 1,-0.2 -2,-0.2 0.960 113.9 54.2 -58.4 -50.9 14.4 27.9 -54.5 12 12 A K H X>S+ 0 0 63 -4,-3.2 4,-3.3 1,-0.2 5,-0.7 0.899 107.2 47.3 -50.9 -54.7 12.2 29.0 -57.5 13 13 A V H X5S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.3 -1,-0.2 0.933 111.1 53.3 -56.8 -42.4 14.4 31.9 -58.4 14 14 A L H <5S+ 0 0 43 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.840 119.0 36.1 -59.0 -34.5 17.4 29.7 -58.1 15 15 A D H <5S+ 0 0 109 -4,-1.9 -2,-0.2 -3,-0.4 -1,-0.2 0.819 134.7 16.8 -89.3 -39.8 15.7 27.2 -60.5 16 16 A E H <5S+ 0 0 107 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.436 90.5 122.2-111.7 -10.4 13.8 29.3 -63.1 17 17 A G << - 0 0 15 -4,-1.9 2,-0.3 -5,-0.7 14,-0.2 -0.389 52.7-146.2 -60.7 127.0 15.4 32.7 -62.6 18 18 A H E -A 30 0A 144 12,-2.0 12,-2.8 -2,-0.2 -2,-0.1 -0.688 27.8 -97.7 -92.9 147.8 17.0 34.0 -65.8 19 19 A F E +A 29 0A 132 -2,-0.3 10,-0.2 10,-0.2 -1,-0.1 -0.341 50.2 167.0 -62.4 147.8 20.1 36.0 -65.6 20 20 A K E -A 28 0A 98 8,-2.0 8,-1.7 -3,-0.0 2,-0.1 -0.873 22.6-144.6-166.1 122.6 19.6 39.8 -65.7 21 21 A P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 6,-0.2 -0.277 21.2-174.6 -81.8 179.5 22.0 42.6 -64.9 22 22 A D > - 0 0 42 4,-0.4 3,-2.5 -2,-0.1 -2,-0.0 -0.918 42.6 -62.2-159.6-175.6 21.1 45.9 -63.2 23 23 A R T 3 S+ 0 0 128 1,-0.3 -1,-0.0 -2,-0.3 0, 0.0 0.864 125.2 54.7 -43.4 -51.8 22.2 49.4 -62.1 24 24 A T T 3 S- 0 0 27 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.511 107.1-128.5 -66.3 -2.8 24.9 48.1 -59.6 25 25 A H S < S+ 0 0 172 -3,-2.5 2,-0.4 1,-0.3 -1,-0.1 0.464 72.3 124.3 66.3 2.1 26.3 46.2 -62.6 26 26 A T - 0 0 40 289,-0.2 -4,-0.4 1,-0.1 -1,-0.3 -0.721 66.3-118.2 -87.6 138.0 26.2 43.1 -60.4 27 27 A G - 0 0 10 -2,-0.4 235,-1.8 -6,-0.2 236,-0.3 -0.359 32.4-169.1 -75.3 163.3 24.3 40.4 -62.1 28 28 A T E -AB 20 261A 3 -8,-1.7 -8,-2.0 233,-0.2 2,-0.5 -0.854 24.9-122.6-142.2 173.2 21.1 39.0 -60.7 29 29 A Y E -AB 19 260A 68 231,-1.0 231,-1.6 -2,-0.3 2,-0.3 -0.998 42.1-172.4-120.7 118.6 18.7 36.1 -61.3 30 30 A S E -AB 18 259A 7 -12,-2.8 -12,-2.0 -2,-0.5 2,-0.3 -0.831 24.2-177.1-121.6 158.7 15.2 37.4 -61.9 31 31 A I E - B 0 258A 16 227,-1.9 227,-1.7 -2,-0.3 2,-0.5 -0.921 22.5-135.7-137.5 160.8 11.6 36.3 -62.2 32 32 A F E S+ B 0 257A 168 -2,-0.3 225,-0.2 1,-0.3 224,-0.2 -0.970 70.1 13.7-128.6 119.3 8.6 38.5 -63.0 33 33 A G E + 0 0 45 223,-2.0 2,-0.3 -2,-0.5 -1,-0.3 0.703 65.6 158.9 86.7 105.7 5.3 38.2 -61.2 34 34 A H E - B 0 255A 40 221,-1.1 221,-2.5 -3,-0.1 2,-0.3 -0.930 18.9-161.7-148.3 166.3 5.1 36.1 -58.0 35 35 A Q E - B 0 254A 102 -2,-0.3 2,-0.3 219,-0.3 219,-0.2 -0.857 3.2-170.6-161.3 118.0 2.6 36.1 -55.2 36 36 A M E - B 0 253A 6 217,-2.3 217,-1.3 -2,-0.3 2,-0.4 -0.765 8.3-154.4-106.1 161.3 3.0 34.6 -51.6 37 37 A R E - B 0 252A 126 -2,-0.3 2,-0.5 215,-0.2 215,-0.2 -1.000 6.7-171.3-140.6 124.9 0.2 34.2 -49.0 38 38 A F E - B 0 251A 2 213,-2.8 213,-2.5 -2,-0.4 2,-0.8 -0.959 20.4-140.6-121.7 110.9 0.8 34.1 -45.3 39 39 A D E > - B 0 250A 59 -2,-0.5 3,-1.4 211,-0.2 4,-0.3 -0.624 13.9-160.7 -70.5 109.0 -2.1 33.2 -43.0 40 40 A L T 3 S+ 0 0 6 209,-2.0 -1,-0.2 -2,-0.8 210,-0.2 0.497 83.4 69.1 -70.8 -3.5 -1.4 35.7 -40.2 41 41 A S T 3 S+ 0 0 69 208,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.538 92.0 59.8 -90.9 -8.4 -3.6 33.6 -37.8 42 42 A K S < S- 0 0 155 -3,-1.4 2,-0.3 1,-0.4 -1,-0.2 0.612 123.5 -69.4 -91.0 -15.8 -1.0 30.8 -37.8 43 43 A G - 0 0 11 -4,-0.3 -1,-0.4 -3,-0.1 238,-0.2 -0.855 61.8 -55.1 149.1 177.2 1.7 33.0 -36.4 44 44 A F - 0 0 2 236,-2.2 2,-2.5 -2,-0.3 187,-0.1 -0.807 46.6-131.0 -92.8 121.1 4.0 36.0 -37.2 45 45 A P + 0 0 4 0, 0.0 2,-0.6 0, 0.0 189,-0.1 -0.320 53.0 141.4 -69.4 62.4 6.1 35.5 -40.4 46 46 A L - 0 0 3 -2,-2.5 -43,-0.1 184,-0.1 182,-0.1 -0.937 62.6-102.6-104.2 123.5 9.6 36.4 -39.0 47 47 A L - 0 0 2 -2,-0.6 5,-0.4 180,-0.3 3,-0.1 -0.175 35.6-177.9 -49.1 129.8 12.1 34.1 -40.5 48 48 A T S S+ 0 0 0 229,-0.1 259,-2.1 258,-0.1 -1,-0.2 0.655 77.8 71.0-101.7 -17.6 13.3 31.3 -38.3 49 49 A T S S+ 0 0 0 1,-0.2 2,-0.2 257,-0.2 -1,-0.1 0.345 116.9 14.3 -78.7 6.1 15.8 29.9 -40.8 50 50 A K S S- 0 0 18 -3,-0.1 2,-0.2 257,-0.1 259,-0.2 -0.750 92.5 -98.3-178.3 133.4 17.9 33.0 -40.2 51 51 A K - 0 0 130 256,-0.8 259,-0.2 257,-0.5 -3,-0.1 -0.398 37.4-172.2 -62.4 118.8 17.9 35.7 -37.5 52 52 A V - 0 0 5 -5,-0.4 2,-1.4 -2,-0.2 3,-0.1 -0.936 28.5-119.1-111.5 136.0 16.1 38.9 -38.6 53 53 A P >> - 0 0 56 0, 0.0 4,-1.4 0, 0.0 3,-0.7 -0.578 28.2-178.6 -80.9 92.8 16.2 42.0 -36.4 54 54 A F H 3> S+ 0 0 18 -2,-1.4 4,-2.2 1,-0.2 5,-0.2 0.718 78.7 67.9 -57.9 -25.2 12.6 42.7 -35.4 55 55 A G H 3> S+ 0 0 38 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.962 101.4 44.3 -62.0 -49.9 13.8 45.8 -33.5 56 56 A L H <> S+ 0 0 48 -3,-0.7 4,-2.6 1,-0.2 5,-0.2 0.897 111.4 55.6 -60.5 -40.3 14.9 47.6 -36.7 57 57 A I H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.890 110.7 43.8 -58.8 -44.2 11.5 46.5 -38.3 58 58 A K H X S+ 0 0 33 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.960 112.6 52.1 -65.0 -53.3 9.5 48.1 -35.4 59 59 A S H X S+ 0 0 2 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.925 112.8 44.8 -48.4 -53.5 11.6 51.3 -35.4 60 60 A E H X S+ 0 0 19 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.902 112.6 50.1 -61.8 -45.1 11.2 51.8 -39.1 61 61 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.867 110.2 49.3 -63.7 -40.6 7.5 51.1 -39.2 62 62 A L H X S+ 0 0 2 -4,-2.5 4,-1.1 2,-0.2 6,-0.2 0.874 106.8 57.0 -66.2 -35.8 6.7 53.5 -36.3 63 63 A W H ><>S+ 0 0 0 -4,-1.8 5,-1.6 -5,-0.3 3,-0.8 0.949 110.5 44.4 -57.8 -46.6 8.8 56.2 -38.1 64 64 A F H ><5S+ 0 0 2 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.885 109.1 56.0 -63.0 -48.6 6.4 55.8 -41.1 65 65 A L H 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.636 103.4 55.4 -61.5 -18.4 3.3 55.7 -39.0 66 66 A H T <<5S- 0 0 73 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.393 110.8-121.2 -93.1 -1.4 4.3 59.1 -37.5 67 67 A G T < 5 + 0 0 24 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.650 63.5 151.9 69.7 15.2 4.5 60.6 -41.0 68 68 A D < + 0 0 49 -5,-1.6 79,-0.2 -6,-0.2 -1,-0.2 -0.436 29.3 175.3 -79.9 151.8 8.1 61.4 -40.1 69 69 A T + 0 0 18 78,-0.2 73,-2.4 -2,-0.1 74,-0.4 0.212 47.5 102.1-138.5 8.3 10.9 61.7 -42.7 70 70 A N B >> -F 141 0B 25 71,-0.3 3,-0.7 72,-0.1 4,-0.6 -0.817 66.9-136.8-102.5 140.8 13.9 62.7 -40.6 71 71 A I H 3> S+ 0 0 0 69,-2.7 4,-3.1 -2,-0.4 3,-0.3 0.768 88.7 86.2 -63.5 -28.5 16.7 60.3 -39.6 72 72 A R H 3> S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.854 89.0 48.1 -44.2 -46.6 16.8 61.7 -36.0 73 73 A F H <> S+ 0 0 28 -3,-0.7 4,-0.6 2,-0.2 -1,-0.2 0.932 113.9 45.9 -61.2 -50.2 14.0 59.5 -34.8 74 74 A L H ><>S+ 0 0 0 -4,-0.6 5,-2.6 -3,-0.3 3,-1.3 0.923 110.8 54.1 -60.8 -42.0 15.5 56.4 -36.3 75 75 A L H ><5S+ 0 0 14 -4,-3.1 3,-2.4 1,-0.3 -2,-0.2 0.928 102.6 55.7 -58.4 -45.6 19.0 57.3 -35.0 76 76 A Q H 3<5S+ 0 0 123 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.689 107.3 53.0 -59.7 -19.3 17.7 57.6 -31.4 77 77 A H T <<5S- 0 0 47 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.049 119.5-111.2-104.6 25.3 16.5 54.1 -31.9 78 78 A R T < 5S+ 0 0 222 -3,-2.4 2,-0.5 1,-0.2 -3,-0.2 0.701 73.1 143.1 54.3 22.5 19.9 52.8 -33.0 79 79 A N < + 0 0 0 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.807 20.4 165.5 -95.3 125.7 18.4 52.3 -36.4 80 80 A H > + 0 0 103 -2,-0.5 3,-2.1 -3,-0.1 4,-0.4 0.287 39.0 114.3-121.4 9.7 20.8 53.1 -39.2 81 81 A I T 3 S+ 0 0 8 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.798 85.4 39.5 -50.4 -34.3 19.0 51.6 -42.2 82 82 A W T 3> S+ 0 0 25 1,-0.2 4,-1.0 2,-0.1 -1,-0.3 0.201 85.8 103.2-106.4 19.7 18.5 55.0 -43.8 83 83 A D H X> S+ 0 0 6 -3,-2.1 4,-2.9 1,-0.2 3,-0.7 0.919 71.2 58.7 -67.6 -48.2 21.8 56.6 -43.0 84 84 A E H 3> S+ 0 0 70 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.825 103.1 56.1 -52.2 -35.9 23.5 56.4 -46.4 85 85 A W H 3> S+ 0 0 48 2,-0.2 4,-0.8 -3,-0.2 -1,-0.2 0.891 113.7 38.2 -65.8 -40.1 20.7 58.4 -48.0 86 86 A A H XX S+ 0 0 0 -4,-1.0 4,-1.7 -3,-0.7 3,-0.8 0.955 117.7 50.2 -73.5 -49.7 21.1 61.3 -45.6 87 87 A F H 3X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.3 5,-0.2 0.881 105.9 57.1 -53.7 -45.5 24.9 61.0 -45.6 88 88 A E H 3X S+ 0 0 82 -4,-2.8 4,-1.3 -5,-0.3 -1,-0.3 0.819 107.1 48.2 -58.8 -33.4 25.0 61.0 -49.4 89 89 A K H << S+ 0 0 64 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.830 110.0 52.7 -77.7 -31.5 23.2 64.3 -49.5 90 90 A W H >< S+ 0 0 30 -4,-1.7 3,-0.9 1,-0.2 6,-0.3 0.903 109.4 48.5 -68.6 -43.3 25.6 65.8 -46.9 91 91 A V H 3< S+ 0 0 24 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.815 110.8 49.3 -69.4 -32.5 28.6 64.8 -48.9 92 92 A K T 3< S+ 0 0 156 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.408 104.8 79.1 -87.5 3.6 27.3 66.2 -52.2 93 93 A S S X S- 0 0 28 -3,-0.9 3,-0.6 -4,-0.2 -3,-0.0 -0.520 88.3 -82.5-107.4 174.7 26.4 69.5 -50.6 94 94 A D T 3 S+ 0 0 143 1,-0.2 2,-1.2 -2,-0.2 -1,-0.2 -0.017 104.2 36.0 -64.6 174.8 28.3 72.7 -49.5 95 95 A E T 3 S+ 0 0 122 1,-0.2 2,-0.7 -4,-0.0 -1,-0.2 0.018 75.5 131.9 68.5 -30.1 30.1 73.0 -46.2 96 96 A Y < + 0 0 31 -2,-1.2 2,-0.7 -3,-0.6 -1,-0.2 -0.355 30.0 175.4 -59.1 103.0 31.3 69.4 -46.3 97 97 A H + 0 0 151 -2,-0.7 -1,-0.1 -3,-0.1 -3,-0.0 -0.906 37.8 77.1-114.7 98.6 35.0 69.8 -45.5 98 98 A G S S- 0 0 36 -2,-0.7 3,-0.1 -7,-0.1 -2,-0.0 -0.962 87.0 -25.8 179.7 177.9 36.6 66.4 -45.2 99 99 A P S S- 0 0 68 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.132 75.7 -99.1 -46.5 129.7 37.9 63.4 -47.2 100 100 A D - 0 0 108 1,-0.2 -3,-0.0 2,-0.0 -9,-0.0 -0.361 36.8-170.6 -55.6 116.7 36.2 63.1 -50.6 101 101 A M > + 0 0 0 -2,-0.2 3,-1.7 -10,-0.1 4,-0.2 0.248 26.3 151.6 -96.1 11.8 33.5 60.4 -50.1 102 102 A T T 3 S+ 0 0 86 1,-0.3 5,-0.0 2,-0.1 -2,-0.0 -0.245 79.0 3.6 -49.3 111.2 32.6 60.2 -53.8 103 103 A D T 3> S+ 0 0 83 -2,-0.1 4,-2.5 3,-0.1 -1,-0.3 0.829 81.7 157.0 78.1 39.1 31.4 56.6 -54.2 104 104 A F H <> + 0 0 22 -3,-1.7 4,-2.5 1,-0.2 5,-0.1 0.912 67.7 54.0 -60.4 -45.7 31.6 55.7 -50.5 105 105 A G H > S+ 0 0 22 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.904 116.0 36.9 -57.3 -48.1 29.0 52.8 -50.7 106 106 A H H >> S+ 0 0 97 1,-0.2 3,-1.0 2,-0.2 4,-0.5 0.952 118.3 48.8 -70.8 -51.0 30.8 51.0 -53.5 107 107 A R H >X S+ 0 0 82 -4,-2.5 4,-2.2 1,-0.2 3,-1.5 0.816 93.0 76.8 -60.1 -35.0 34.3 51.7 -52.4 108 108 A S H 3< S+ 0 0 26 -4,-2.5 7,-0.3 1,-0.3 -1,-0.2 0.841 94.7 50.7 -43.8 -41.8 33.7 50.6 -48.8 109 109 A Q H << S+ 0 0 81 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.793 120.6 34.7 -68.5 -30.8 33.8 47.0 -49.9 110 110 A K H << S+ 0 0 153 -3,-1.5 -2,-0.2 -4,-0.5 -3,-0.1 0.930 108.0 55.7 -92.2 -57.3 37.1 47.5 -51.7 111 111 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