==== 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 1NJB . 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) . 15804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 73.7 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 . 37 11.7 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 . 36 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 2 0 1 0 0 0 0 2 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 . 1 1 1 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 . 1 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 0 137 0, 0.0 3,-1.8 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 142.8 4.1 27.7 -44.6 2 2 A L T 3 + 0 0 30 1,-0.3 4,-0.2 2,-0.1 37,-0.1 0.821 360.0 39.1 -35.1 -65.5 3.5 31.5 -44.6 3 3 A E T >> S+ 0 0 4 1,-0.2 4,-1.4 2,-0.1 3,-1.2 0.383 81.6 103.1 -74.6 -2.4 6.7 32.7 -46.4 4 4 A Q H <> S+ 0 0 54 -3,-1.8 4,-2.8 1,-0.3 5,-0.3 0.857 74.5 63.8 -52.2 -38.2 7.0 30.0 -49.0 5 5 A P H 3> S+ 0 0 39 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.932 104.9 47.9 -52.5 -40.2 5.7 32.3 -51.7 6 6 A Y H <> S+ 0 0 0 -3,-1.2 4,-1.5 2,-0.2 3,-0.5 0.903 110.4 47.4 -67.4 -47.8 8.8 34.4 -51.1 7 7 A L H X S+ 0 0 1 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.874 110.2 55.3 -62.0 -34.6 11.3 31.6 -51.2 8 8 A D H X S+ 0 0 72 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.749 100.7 59.1 -69.9 -22.9 9.7 30.4 -54.4 9 9 A L H X S+ 0 0 0 -4,-1.0 4,-2.0 -3,-0.5 -1,-0.2 0.953 107.5 47.2 -68.2 -47.3 10.1 33.8 -55.9 10 10 A A H X S+ 0 0 0 -4,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.818 110.7 49.0 -65.4 -37.0 13.9 33.5 -55.4 11 11 A K H >X S+ 0 0 80 -4,-1.7 4,-3.1 2,-0.2 3,-1.6 0.978 111.4 51.9 -65.3 -50.7 14.1 29.9 -56.8 12 12 A K H 3< S+ 0 0 66 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.845 110.5 47.1 -52.6 -38.6 12.1 31.1 -59.8 13 13 A V H 3< S+ 0 0 0 -4,-2.0 5,-0.3 3,-0.2 -1,-0.3 0.674 120.2 40.9 -77.1 -16.4 14.5 34.1 -60.4 14 14 A L H << S+ 0 0 42 -3,-1.6 -2,-0.2 -4,-0.8 -3,-0.2 0.885 123.3 30.9 -96.7 -53.6 17.5 31.8 -60.0 15 15 A D S < S+ 0 0 120 -4,-3.1 -3,-0.1 1,-0.2 -2,-0.1 -0.031 137.8 25.9 -98.5 29.1 16.7 28.6 -61.9 16 16 A E S S+ 0 0 120 -5,-0.2 -1,-0.2 -4,-0.1 -3,-0.2 0.274 95.7 114.3-169.1 9.3 14.5 30.4 -64.4 17 17 A G - 0 0 18 -6,-0.2 2,-0.3 -4,-0.2 14,-0.1 0.416 54.8-129.3 -72.6-152.0 15.7 33.9 -64.6 18 18 A H - 0 0 148 -5,-0.3 12,-3.4 12,-0.1 2,-0.2 -0.886 20.5-120.8-165.6 130.0 17.4 35.9 -67.3 19 19 A F E +A 29 0A 134 -2,-0.3 10,-0.2 10,-0.3 8,-0.0 -0.616 41.0 161.8 -78.7 147.1 20.6 37.9 -67.0 20 20 A K E -A 28 0A 98 8,-1.7 8,-1.2 -2,-0.2 2,-0.1 -0.966 34.4-113.1-160.3 150.1 20.3 41.7 -67.8 21 21 A P - 0 0 96 0, 0.0 2,-0.3 0, 0.0 4,-0.1 -0.445 36.8-177.9 -85.2 177.4 22.4 44.8 -67.1 22 22 A D - 0 0 30 2,-0.2 6,-0.0 1,-0.1 0, 0.0 -0.956 39.6 -78.7-162.6 177.4 21.3 47.7 -64.8 23 23 A R S S+ 0 0 168 -2,-0.3 -1,-0.1 2,-0.1 2,-0.1 0.952 114.1 49.2 -51.3 -70.3 21.9 51.2 -63.2 24 24 A T S S- 0 0 5 291,-0.1 2,-1.1 1,-0.1 3,-0.3 -0.485 99.6-121.7 -66.7 147.0 24.3 50.1 -60.4 25 25 A H S S+ 0 0 159 1,-0.2 291,-0.1 291,-0.1 -1,-0.1 -0.497 83.0 94.0-103.3 73.9 26.9 48.1 -62.2 26 26 A T S S- 0 0 47 -2,-1.1 -1,-0.2 289,-0.1 2,-0.2 0.684 80.1-121.5-115.7 -53.7 26.9 44.7 -60.6 27 27 A G - 0 0 4 -3,-0.3 235,-2.3 235,-0.1 2,-0.3 -0.456 24.8-140.9 122.7 159.2 24.6 42.6 -62.8 28 28 A T E -AB 20 261A 4 -8,-1.2 -8,-1.7 233,-0.3 2,-0.5 -0.983 19.7-134.4-157.8 161.0 21.3 40.7 -62.3 29 29 A Y E -AB 19 260A 80 231,-1.9 231,-2.1 -2,-0.3 2,-0.3 -0.970 46.7-179.6-110.4 130.2 19.1 37.7 -63.0 30 30 A S E - B 0 259A 9 -12,-3.4 2,-0.3 -2,-0.5 229,-0.2 -0.899 26.1-172.4-138.6 160.8 15.7 39.1 -63.6 31 31 A I E - B 0 258A 21 227,-1.3 227,-1.5 -2,-0.3 2,-0.4 -0.914 21.3-132.3-142.0 163.3 12.1 38.2 -64.4 32 32 A F E + B 0 257A 163 -2,-0.3 225,-0.2 1,-0.2 224,-0.2 -0.980 67.7 14.1-129.7 127.2 9.1 40.5 -65.2 33 33 A G E + 0 0 38 223,-2.9 2,-0.3 -2,-0.4 -1,-0.2 0.663 64.1 165.4 82.0 117.1 5.6 40.3 -63.7 34 34 A H E - B 0 255A 36 221,-1.1 221,-2.8 -3,-0.1 2,-0.4 -0.848 20.9-161.1-167.1 128.6 4.9 38.3 -60.6 35 35 A Q E + B 0 254A 108 -2,-0.3 2,-0.3 219,-0.2 219,-0.2 -0.895 11.1 179.4-114.4 144.6 2.2 38.1 -58.0 36 36 A M E - B 0 253A 8 217,-2.2 217,-2.7 -2,-0.4 2,-0.4 -0.976 12.6-152.2-141.6 145.6 2.7 36.5 -54.6 37 37 A R E - B 0 252A 120 -2,-0.3 2,-0.4 215,-0.2 215,-0.2 -0.944 10.0-172.3-137.6 117.0 -0.0 36.3 -52.0 38 38 A F E - B 0 251A 2 213,-3.4 213,-2.9 -2,-0.4 2,-0.9 -0.851 18.5-143.1-105.8 142.1 0.1 36.2 -48.1 39 39 A D E > - B 0 250A 60 -2,-0.4 3,-3.3 211,-0.2 4,-0.5 -0.760 10.9-165.7-103.9 88.7 -2.9 35.5 -45.9 40 40 A L G > S+ 0 0 6 -2,-0.9 3,-0.8 209,-0.6 210,-0.2 0.668 82.9 69.9 -49.1 -23.0 -2.3 37.7 -42.9 41 41 A S G 3 S+ 0 0 59 208,-0.8 -1,-0.3 1,-0.2 3,-0.1 0.699 98.1 53.3 -68.6 -18.0 -5.0 35.8 -40.9 42 42 A K G < S- 0 0 155 -3,-3.3 2,-0.3 1,-0.2 -1,-0.2 0.621 125.4 -64.7 -89.6 -17.4 -2.5 33.0 -40.8 43 43 A G < - 0 0 11 -3,-0.8 -1,-0.2 -4,-0.5 238,-0.2 -0.998 60.6 -56.5 162.7-166.2 0.4 35.0 -39.4 44 44 A F - 0 0 1 236,-0.7 2,-2.4 -2,-0.3 187,-0.1 -0.939 39.8-137.2-119.1 112.5 2.9 37.8 -39.9 45 45 A P + 0 0 0 0, 0.0 2,-0.6 0, 0.0 186,-0.1 0.002 55.7 134.6 -55.7 31.0 5.1 37.6 -43.0 46 46 A L - 0 0 0 -2,-2.4 -2,-0.1 185,-0.1 -43,-0.1 -0.751 67.3-106.8 -84.8 121.4 8.3 38.6 -41.3 47 47 A L - 0 0 1 -2,-0.6 5,-0.4 180,-0.3 -1,-0.1 -0.164 32.4-172.2 -51.5 142.7 10.8 36.0 -42.6 48 48 A T S S+ 0 0 0 229,-0.1 259,-3.2 258,-0.1 -1,-0.1 0.692 79.1 69.1-103.0 -36.2 12.0 33.4 -40.2 49 49 A T S S+ 0 0 0 257,-0.2 2,-0.3 228,-0.1 225,-0.2 0.202 113.9 23.2 -70.1 17.7 14.7 31.9 -42.5 50 50 A K S S- 0 0 18 257,-0.1 2,-0.7 259,-0.1 259,-0.2 -0.851 93.1-104.0-175.5 143.6 16.8 35.1 -42.0 51 51 A K - 0 0 114 257,-0.5 259,-0.2 -2,-0.3 -3,-0.1 -0.756 36.0-171.5 -87.8 115.0 16.7 37.7 -39.3 52 52 A V - 0 0 6 -2,-0.7 2,-1.2 -5,-0.4 3,-0.1 -0.888 26.9-121.4-105.7 133.5 14.9 40.9 -40.3 53 53 A P >> - 0 0 58 0, 0.0 4,-1.6 0, 0.0 3,-0.7 -0.635 24.5-176.0 -77.8 94.5 15.0 44.0 -38.1 54 54 A F H 3> S+ 0 0 17 -2,-1.2 4,-2.7 1,-0.3 5,-0.2 0.751 81.0 71.1 -59.3 -24.3 11.3 44.8 -37.3 55 55 A G H 3> S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.967 102.7 40.5 -58.8 -48.1 12.7 47.8 -35.5 56 56 A L H <> S+ 0 0 52 -3,-0.7 4,-1.7 2,-0.2 5,-0.3 0.928 114.2 49.7 -67.9 -44.4 13.6 49.3 -38.9 57 57 A I H X S+ 0 0 0 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.915 115.2 49.2 -61.8 -35.4 10.5 48.3 -40.8 58 58 A K H X S+ 0 0 35 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.932 110.1 43.5 -69.0 -57.4 8.4 49.7 -37.9 59 59 A S H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.810 112.9 54.1 -62.9 -32.5 10.0 53.2 -37.4 60 60 A E H X S+ 0 0 21 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.897 107.3 51.1 -68.7 -39.3 10.1 53.9 -41.1 61 61 A L H X S+ 0 0 0 -4,-1.4 4,-2.2 -5,-0.3 -2,-0.2 0.922 110.1 47.3 -63.6 -46.1 6.4 53.1 -41.5 62 62 A L H X S+ 0 0 3 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.850 107.5 57.3 -66.1 -31.1 5.3 55.4 -38.7 63 63 A W H >X>S+ 0 0 0 -4,-1.4 5,-1.4 -5,-0.2 3,-1.3 0.993 108.2 49.1 -57.5 -57.1 7.5 58.2 -40.2 64 64 A F H ><5S+ 0 0 6 -4,-2.2 3,-1.5 1,-0.3 -2,-0.2 0.874 107.4 53.2 -45.8 -55.4 5.5 57.7 -43.4 65 65 A L H 3<5S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.765 104.6 54.9 -58.5 -29.0 2.1 57.9 -41.6 66 66 A H H <<5S- 0 0 71 -4,-1.5 -1,-0.3 -3,-1.3 -2,-0.2 0.691 110.9-123.9 -77.0 -20.3 3.0 61.2 -39.9 67 67 A G T <<5 + 0 0 28 -3,-1.5 -3,-0.2 -4,-0.9 -2,-0.1 0.861 59.0 154.2 78.7 32.8 3.7 62.5 -43.4 68 68 A D < - 0 0 46 -5,-1.4 80,-0.2 -6,-0.2 79,-0.1 -0.146 30.0-179.6 -80.0-179.5 7.2 63.5 -42.2 69 69 A T + 0 0 25 78,-0.1 73,-2.6 1,-0.1 2,-0.5 0.252 48.1 106.9-165.0 -0.7 10.2 63.7 -44.6 70 70 A N B >> -F 141 0B 27 71,-0.3 3,-1.5 1,-0.1 4,-0.5 -0.797 64.5-142.5 -94.3 128.5 13.0 64.6 -42.3 71 71 A I H 3> S+ 0 0 0 69,-2.3 4,-2.7 -2,-0.5 3,-0.5 0.705 88.0 90.1 -62.0 -11.3 15.6 61.9 -41.5 72 72 A R H 3> S+ 0 0 61 1,-0.3 4,-1.2 68,-0.3 -1,-0.3 0.655 81.6 50.6 -59.9 -24.9 15.5 63.4 -38.0 73 73 A F H <> S+ 0 0 30 -3,-1.5 4,-0.6 2,-0.2 -1,-0.3 0.853 112.7 47.9 -79.0 -38.7 12.7 61.2 -36.7 74 74 A L H ><>S+ 0 0 0 -4,-0.5 5,-2.6 -3,-0.5 3,-2.0 0.963 111.9 47.3 -65.5 -52.9 14.6 58.1 -38.0 75 75 A L H ><5S+ 0 0 13 -4,-2.7 3,-3.2 1,-0.3 -1,-0.2 0.938 104.5 62.8 -54.8 -41.6 17.9 59.1 -36.5 76 76 A Q H 3<5S+ 0 0 115 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.792 110.2 41.0 -50.8 -32.1 15.9 59.8 -33.3 77 77 A H T <<5S- 0 0 62 -3,-2.0 -1,-0.3 -4,-0.6 -2,-0.2 -0.001 117.9-109.1-107.9 27.4 15.2 56.0 -33.5 78 78 A R T < 5S+ 0 0 215 -3,-3.2 2,-0.8 1,-0.2 -3,-0.2 0.638 75.1 141.1 57.2 13.4 18.7 54.8 -34.6 79 79 A N < + 0 0 0 -5,-2.6 3,-0.2 -6,-0.2 -1,-0.2 -0.770 22.2 170.4 -90.3 111.3 17.2 54.1 -38.0 80 80 A H > + 0 0 99 -2,-0.8 3,-1.5 1,-0.2 4,-0.4 0.353 35.8 118.3-105.5 11.5 19.7 55.1 -40.6 81 81 A I T 3 S+ 0 0 51 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.759 82.6 36.2 -44.4 -41.8 18.1 53.6 -43.8 82 82 A W T >> S+ 0 0 36 -3,-0.2 3,-1.8 1,-0.1 4,-1.1 0.426 84.7 100.6 -98.7 0.3 17.7 57.0 -45.6 83 83 A D H <> S+ 0 0 2 -3,-1.5 4,-2.7 1,-0.3 5,-0.2 0.928 71.5 65.6 -52.3 -55.6 20.9 58.9 -44.5 84 84 A E H 3> S+ 0 0 93 -4,-0.4 4,-1.0 1,-0.2 -1,-0.3 0.626 103.4 51.3 -44.1 -20.7 22.8 58.3 -47.8 85 85 A W H <> S+ 0 0 62 -3,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.950 113.0 39.3 -80.6 -62.5 20.2 60.5 -49.5 86 86 A A H X S+ 0 0 0 -4,-1.1 4,-2.6 1,-0.2 -2,-0.2 0.865 117.4 53.4 -49.9 -47.5 20.2 63.5 -47.2 87 87 A F H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.984 102.6 54.3 -52.9 -67.9 24.0 63.3 -47.0 88 88 A E H X S+ 0 0 56 -4,-1.0 4,-2.2 1,-0.3 -1,-0.2 0.864 110.7 49.3 -35.2 -50.3 24.7 63.2 -50.7 89 89 A K H >< S+ 0 0 86 -4,-2.0 3,-0.6 1,-0.2 -1,-0.3 0.973 111.0 47.6 -56.9 -56.3 22.7 66.4 -50.9 90 90 A W H >< S+ 0 0 19 -4,-2.6 3,-0.8 1,-0.3 6,-0.3 0.879 108.6 57.0 -49.1 -46.0 24.7 68.0 -48.0 91 91 A V H 3< S+ 0 0 18 -4,-2.9 2,-1.2 1,-0.3 -1,-0.3 0.900 100.9 55.9 -56.3 -45.6 27.9 66.8 -49.7 92 92 A K T << S+ 0 0 156 -4,-2.2 2,-0.3 -3,-0.6 -1,-0.3 -0.238 90.9 90.7 -88.0 53.7 27.1 68.7 -53.0 93 93 A S S X S- 0 0 26 -2,-1.2 3,-1.7 -3,-0.8 0, 0.0 -0.984 77.3-132.9-137.4 139.5 26.7 72.1 -51.2 94 94 A D T 3 S+ 0 0 135 -2,-0.3 -3,-0.1 1,-0.3 -2,-0.1 0.583 108.6 72.2 -74.3 -4.9 29.6 74.5 -50.7 95 95 A E T 3 S+ 0 0 100 -5,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.743 83.7 84.4 -70.8 -24.3 28.4 74.8 -47.2 96 96 A Y S < S- 0 0 8 -3,-1.7 2,-0.5 -6,-0.3 4,-0.0 -0.703 75.2-166.8 -74.8 125.1 29.9 71.4 -47.3 97 97 A H + 0 0 134 -2,-0.5 -3,-0.1 2,-0.0 -2,-0.1 -0.968 42.4 5.7-123.5 114.4 33.5 72.1 -46.6 98 98 A G S S+ 0 0 43 -2,-0.5 2,-0.5 -4,-0.0 -2,-0.1 -0.941 94.0 49.7 134.3-144.7 36.1 69.5 -47.2 99 99 A P - 0 0 58 0, 0.0 2,-2.2 0, 0.0 -2,-0.0 -0.156 66.8-137.0 -44.0 87.9 36.5 65.9 -48.7 100 100 A D - 0 0 130 -2,-0.5 2,-2.8 1,-0.2 -8,-0.1 -0.218 21.2-161.4 -54.5 81.2 34.7 66.0 -52.1 101 101 A M > + 0 0 1 -2,-2.2 3,-1.9 -10,-0.1 4,-0.2 -0.144 17.6 172.6 -67.5 50.8 33.0 62.6 -51.5 102 102 A T T 3 S- 0 0 97 -2,-2.8 5,-0.2 1,-0.3 4,-0.1 -0.366 75.8 -3.4 -64.3 128.6 32.0 61.8 -55.1 103 103 A D T 3> S+ 0 0 91 -2,-0.1 4,-1.5 3,-0.1 5,-0.4 0.814 84.5 162.9 57.0 30.4 30.6 58.3 -55.4 104 104 A F H <> + 0 0 16 -3,-1.9 4,-1.9 1,-0.3 2,-1.8 0.879 69.5 56.6 -43.2 -49.8 31.3 57.9 -51.7 105 105 A G H 4 S+ 0 0 27 -4,-0.2 -1,-0.3 2,-0.2 -2,-0.1 -0.634 110.2 45.1 -89.3 71.1 29.0 54.9 -51.5 106 106 A H H >4 S+ 0 0 77 -2,-1.8 3,-1.9 -4,-0.1 -2,-0.2 -0.293 114.9 38.2-167.4 -74.1 31.0 53.1 -54.2 107 107 A R H >X S+ 0 0 86 -4,-1.5 3,-2.5 1,-0.3 4,-2.3 0.791 103.1 71.7 -64.3 -30.2 34.7 53.5 -53.4 108 108 A S T 3< S+ 0 0 19 -4,-1.9 -1,-0.3 -5,-0.4 7,-0.1 0.629 98.4 52.7 -59.8 -13.6 34.0 53.1 -49.6 109 109 A Q T <4 S+ 0 0 108 -3,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.296 116.6 34.5-105.6 8.7 33.3 49.4 -50.5 110 110 A K T <4 S+ 0 0 197 -3,-2.5 -2,-0.2 1,-0.2 -3,-0.1 0.448 118.6 51.7-133.4 -11.8 36.6 48.8 -52.3 111 111 A D >X - 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