==== 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) 15-FEB-93 1TDC . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR K.M.PERRY,C.W.CARRERAS,L.C.CHANG,D.V.SANTI,R.M.STROUD . 315 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 73.3 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 13.0 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 . 38 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 28.3 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 0 2 1 1 2 0 0 1 0 2 0 0 1 0 0 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 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 0 145 0, 0.0 3,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-149.4 4.3 27.6 -45.2 2 2 A L T 3 + 0 0 33 1,-0.3 4,-0.1 2,-0.2 37,-0.1 0.957 360.0 35.9 -61.2 -60.5 3.4 31.4 -44.8 3 3 A E T >> S+ 0 0 4 1,-0.2 3,-2.0 2,-0.1 4,-1.3 0.395 86.6 105.4 -75.0 7.3 6.6 32.7 -46.4 4 4 A Q H <> S+ 0 0 56 -3,-0.9 4,-1.9 1,-0.3 5,-0.3 0.875 72.7 62.7 -63.6 -30.7 6.8 29.9 -49.0 5 5 A P H 3> S+ 0 0 39 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.892 103.3 50.8 -57.7 -31.9 5.6 32.3 -51.6 6 6 A Y H X> S+ 0 0 0 -3,-2.0 4,-1.4 1,-0.2 3,-0.8 1.000 107.4 49.4 -72.5 -58.8 8.9 34.3 -51.0 7 7 A L H 3X S+ 0 0 6 -4,-1.3 4,-1.1 1,-0.3 -1,-0.2 0.721 110.9 50.1 -59.5 -20.2 11.4 31.5 -51.2 8 8 A D H 3X S+ 0 0 80 -4,-1.9 4,-3.5 2,-0.2 -1,-0.3 0.881 102.7 60.8 -79.6 -31.8 9.8 30.2 -54.6 9 9 A L H X S+ 0 0 88 -4,-1.1 4,-0.6 -5,-0.2 3,-0.6 0.909 103.4 57.9 -72.1 -36.5 14.0 30.1 -57.0 12 12 A K H 3X S+ 0 0 83 -4,-3.5 4,-1.8 1,-0.2 3,-0.5 0.839 107.5 48.3 -60.6 -27.6 12.1 31.2 -60.2 13 13 A V H 3X S+ 0 0 2 -4,-0.8 4,-0.6 1,-0.3 -1,-0.2 0.688 105.0 58.8 -82.0 -24.5 14.8 33.9 -60.9 14 14 A L H << S+ 0 0 55 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.587 118.6 32.1 -76.6 -11.8 17.4 31.3 -60.3 15 15 A D H < S+ 0 0 132 -4,-0.6 -2,-0.2 -3,-0.5 -3,-0.1 0.534 127.4 33.0-116.1 -19.9 15.6 29.4 -63.3 16 16 A E H < S+ 0 0 80 -4,-1.8 -3,-0.2 -5,-0.2 14,-0.2 0.487 80.1 142.2-111.9 -1.1 14.3 32.1 -65.6 17 17 A G < - 0 0 27 -4,-0.6 2,-0.5 -5,-0.3 14,-0.1 0.019 36.8-160.8 -52.1 120.9 16.8 34.7 -65.2 18 18 A H E -A 30 0A 139 12,-1.5 12,-1.6 2,-0.0 2,-0.4 -0.887 31.1-121.9 -89.8 133.6 17.7 36.5 -68.2 19 19 A F E -A 29 0A 111 -2,-0.5 10,-0.2 10,-0.2 8,-0.0 -0.760 41.1-176.8 -76.1 135.4 21.0 38.0 -67.2 20 20 A K E -A 28 0A 89 8,-2.2 8,-1.0 -2,-0.4 2,-0.3 -0.982 18.0-144.2-135.3 133.6 20.3 41.7 -67.7 21 21 A P + 0 0 59 0, 0.0 5,-0.2 0, 0.0 2,-0.1 -0.718 44.6 124.3 -98.6 157.6 22.8 44.5 -67.3 22 22 A D > + 0 0 54 3,-0.4 3,-2.8 -2,-0.3 4,-0.2 -0.282 47.8 72.2-168.7-114.9 21.7 47.8 -65.8 23 23 A R T 3 S- 0 0 96 1,-0.3 5,-0.0 2,-0.2 2,-0.0 0.272 139.0 -38.0 23.7 -99.3 23.3 49.3 -62.8 24 24 A T T 3 S- 0 0 101 0, 0.0 2,-2.4 0, 0.0 -1,-0.3 -0.701 107.5 -66.4-138.0 78.5 26.5 50.3 -64.5 25 25 A H S < S+ 0 0 140 -3,-2.8 2,-1.2 1,-0.1 -3,-0.4 -0.097 101.3 144.7 53.2 -34.8 26.2 47.1 -66.4 26 26 A T - 0 0 64 -2,-2.4 237,-0.2 -4,-0.2 -1,-0.1 0.133 56.9 -86.7 -1.1 -41.1 26.8 45.3 -62.8 27 27 A G + 0 0 0 -2,-1.2 235,-2.7 -7,-0.1 2,-0.3 0.337 46.3 172.8 127.1 125.9 24.6 42.3 -63.1 28 28 A T E -AB 20 261A 3 -8,-1.0 -8,-2.2 233,-0.3 2,-0.5 -0.990 23.1-149.4-155.1 151.4 21.1 40.9 -62.6 29 29 A Y E +AB 19 260A 71 231,-1.8 231,-2.8 -2,-0.3 2,-0.3 -1.000 40.9 175.9-119.9 123.5 19.0 37.9 -63.2 30 30 A S E -AB 18 259A 6 -12,-1.6 -12,-1.5 -2,-0.5 2,-0.3 -0.881 30.8-163.7-133.6 159.8 15.4 39.1 -63.7 31 31 A I E - B 0 258A 15 227,-1.9 227,-1.2 -2,-0.3 2,-0.4 -0.835 22.0-136.9-122.0 167.4 11.8 38.1 -64.5 32 32 A F E S+ B 0 257A 160 -2,-0.3 225,-0.2 1,-0.2 224,-0.2 -0.933 73.4 16.2-123.5 116.6 9.1 40.6 -65.5 33 33 A G E + 0 0 48 223,-2.4 2,-0.3 222,-0.5 -1,-0.2 0.522 66.7 157.2 93.8 105.5 5.5 40.2 -64.0 34 34 A H E - B 0 255A 46 221,-0.9 221,-2.8 -3,-0.1 2,-0.3 -0.966 19.4-164.7-155.9 151.2 5.1 38.0 -60.8 35 35 A Q E + B 0 254A 94 -2,-0.3 2,-0.3 219,-0.3 219,-0.2 -0.991 6.9 179.5-145.8 140.2 2.3 38.0 -58.1 36 36 A M E - B 0 253A 10 217,-2.3 217,-3.0 -2,-0.3 2,-0.3 -0.961 13.8-151.6-142.2 136.0 2.6 36.3 -54.7 37 37 A R E - B 0 252A 119 -2,-0.3 2,-0.4 215,-0.2 215,-0.3 -0.889 4.5-161.8-110.9 143.8 -0.3 36.4 -52.0 38 38 A F E - B 0 251A 4 213,-3.1 213,-2.3 -2,-0.3 2,-0.9 -0.980 15.3-141.5-128.7 139.1 0.1 36.2 -48.1 39 39 A D E >> - B 0 250A 59 -2,-0.4 3,-1.7 211,-0.2 4,-0.6 -0.898 13.9-161.2-100.9 105.6 -3.0 35.4 -46.0 40 40 A L T 34 S+ 0 0 4 209,-2.4 -1,-0.1 -2,-0.9 210,-0.1 0.424 79.7 71.8 -78.9 4.0 -2.5 37.6 -43.1 41 41 A S T 34 S+ 0 0 82 208,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.452 92.9 57.7 -93.2 -0.1 -4.7 35.7 -40.8 42 42 A K T <4 S- 0 0 146 -3,-1.7 2,-0.3 1,-0.4 -2,-0.2 0.725 124.7 -71.1 -89.5 -35.0 -2.2 32.9 -40.5 43 43 A G < - 0 0 6 -4,-0.6 -1,-0.4 -41,-0.1 238,-0.2 -0.944 62.6 -50.0 164.8-174.7 0.5 35.3 -39.3 44 44 A F - 0 0 0 236,-1.8 2,-2.1 -2,-0.3 187,-0.1 -0.713 43.6-128.9 -96.2 126.3 2.8 38.0 -40.1 45 45 A P + 0 0 2 0, 0.0 2,-0.4 0, 0.0 186,-0.1 -0.036 60.1 133.4 -50.9 31.4 5.0 37.8 -43.3 46 46 A L - 0 0 0 -2,-2.1 -43,-0.1 234,-0.1 182,-0.1 -0.735 66.4-106.2 -86.2 140.5 8.2 38.6 -41.6 47 47 A L - 0 0 1 -2,-0.4 5,-0.3 180,-0.3 3,-0.1 -0.373 25.3-164.7 -69.6 139.8 10.8 36.0 -42.8 48 48 A T S S+ 0 0 0 229,-0.2 259,-1.1 258,-0.1 -1,-0.2 0.342 84.9 63.9 -96.9 3.8 11.8 33.3 -40.5 49 49 A T S S+ 0 0 0 257,-0.2 2,-0.3 225,-0.1 -1,-0.1 0.293 112.0 29.2-110.1 20.3 14.8 32.3 -42.6 50 50 A K S S- 0 0 22 257,-0.1 2,-0.5 -3,-0.1 259,-0.2 -0.896 90.0-117.8-159.4 152.0 16.7 35.7 -42.2 51 51 A K - 0 0 95 -2,-0.3 259,-0.2 255,-0.2 -3,-0.1 -0.897 35.7-165.2 -97.8 126.5 16.3 37.9 -39.0 52 52 A V - 0 0 2 -2,-0.5 2,-1.0 -5,-0.3 3,-0.1 -0.987 27.6-110.3-117.5 133.1 14.8 41.1 -40.5 53 53 A P > - 0 0 46 0, 0.0 4,-1.3 0, 0.0 3,-0.4 -0.421 30.1-175.1 -64.7 97.9 14.8 44.2 -38.2 54 54 A F H > S+ 0 0 12 -2,-1.0 4,-2.6 1,-0.2 3,-0.4 0.939 83.6 64.0 -59.9 -33.7 11.1 44.7 -37.4 55 55 A G H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.883 100.8 45.9 -54.8 -39.5 12.3 47.8 -35.6 56 56 A L H > S+ 0 0 49 -3,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.805 112.5 55.9 -82.4 -13.4 13.6 49.5 -38.8 57 57 A I H >X S+ 0 0 0 -4,-1.3 4,-2.6 -3,-0.4 3,-0.6 0.996 110.4 39.5 -78.9 -60.6 10.3 48.5 -40.5 58 58 A K H 3X S+ 0 0 26 -4,-2.6 4,-2.6 1,-0.2 5,-0.4 0.932 111.8 57.9 -58.4 -40.7 7.9 50.1 -38.1 59 59 A S H 3< S+ 0 0 4 -4,-1.9 4,-0.2 1,-0.3 -1,-0.2 0.829 113.1 41.0 -51.1 -41.5 10.1 53.3 -37.7 60 60 A E H XX S+ 0 0 27 -4,-1.1 4,-2.5 -3,-0.6 3,-1.3 0.921 112.3 53.6 -76.6 -46.0 9.9 54.0 -41.4 61 61 A L H 3X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.3 5,-0.2 0.957 110.8 47.4 -56.3 -49.4 6.2 53.0 -41.7 62 62 A L H 3X S+ 0 0 0 -4,-2.6 4,-0.7 2,-0.2 -1,-0.3 0.651 108.9 54.5 -64.7 -17.8 5.2 55.5 -39.0 63 63 A W H X>>S+ 0 0 0 -3,-1.3 3,-2.0 -5,-0.4 5,-1.6 0.925 111.7 45.7 -73.5 -58.0 7.4 58.1 -40.7 64 64 A F H ><5S+ 0 0 5 -4,-2.5 3,-2.8 1,-0.3 -2,-0.2 0.854 115.1 45.9 -41.0 -70.9 5.4 57.4 -43.8 65 65 A L H 3<5S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.3 -3,-0.2 0.586 109.1 55.1 -45.1 -23.9 1.9 57.5 -41.8 66 66 A H H <<5S- 0 0 65 -3,-2.0 -1,-0.3 -4,-0.7 -2,-0.2 0.570 113.7-122.3 -88.2 -14.2 2.9 60.7 -40.0 67 67 A G T <<5 + 0 0 24 -3,-2.8 -3,-0.2 -4,-1.1 -2,-0.1 0.699 56.5 160.7 85.1 22.9 3.5 62.2 -43.4 68 68 A D < - 0 0 51 -5,-1.6 79,-0.5 -6,-0.2 80,-0.3 -0.367 34.3-179.2 -86.6 152.5 6.9 63.0 -42.5 69 69 A T + 0 0 23 78,-0.2 73,-2.0 -2,-0.1 2,-0.6 0.040 48.4 112.5-128.3 23.1 9.8 63.7 -44.9 70 70 A N B >> -F 141 0B 27 71,-0.2 3,-2.6 1,-0.2 4,-0.7 -0.883 56.8-152.8-130.3 119.7 12.6 64.3 -42.4 71 71 A I H 3> S+ 0 0 0 69,-2.3 4,-2.8 -2,-0.6 3,-0.5 0.745 94.1 74.1 -42.3 -34.3 15.6 62.2 -41.8 72 72 A R H 3> S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.853 92.3 51.0 -57.4 -43.7 15.5 63.6 -38.2 73 73 A F H <4 S+ 0 0 30 -3,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.928 113.4 45.2 -63.9 -36.1 12.5 61.5 -37.2 74 74 A L H ><>S+ 0 0 0 -4,-0.7 3,-1.9 -3,-0.5 5,-1.2 0.989 111.7 52.7 -72.5 -54.3 14.2 58.4 -38.4 75 75 A L H ><5S+ 0 0 11 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.802 102.7 56.2 -55.0 -35.0 17.5 59.2 -36.8 76 76 A Q T 3<5S+ 0 0 109 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.1 0.067 108.3 50.3 -86.9 33.3 16.1 59.8 -33.5 77 77 A H T < 5S- 0 0 52 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.075 115.0-115.0-138.9 14.7 14.7 56.1 -33.8 78 78 A R T < 5S+ 0 0 222 -3,-1.6 2,-0.8 1,-0.2 -3,-0.2 0.669 75.6 132.0 60.6 26.5 18.1 54.7 -34.8 79 79 A N < + 0 0 0 -5,-1.2 3,-0.2 -6,-0.1 -1,-0.2 -0.906 30.4 176.9-111.5 112.6 16.8 53.8 -38.1 80 80 A H > + 0 0 92 -2,-0.8 3,-0.6 1,-0.1 4,-0.3 0.145 37.5 116.0-105.2 28.9 19.3 55.0 -40.7 81 81 A I T 3 S+ 0 0 72 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.747 80.9 42.1 -67.0 -29.7 17.9 53.7 -44.2 82 82 A W T >> S+ 0 0 26 -3,-0.2 3,-2.7 1,-0.1 4,-0.9 0.657 84.3 106.7 -94.2 -5.2 17.3 57.1 -45.8 83 83 A D H <> S+ 0 0 2 -3,-0.6 4,-2.9 1,-0.3 5,-0.2 0.719 73.5 48.9 -49.0 -42.8 20.5 58.9 -44.6 84 84 A E H 3> S+ 0 0 73 2,-0.3 4,-1.1 -4,-0.3 -1,-0.3 0.582 96.4 71.0 -86.7 -1.0 22.6 59.1 -47.8 85 85 A W H <> S+ 0 0 96 -3,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.954 116.5 26.0 -70.8 -40.9 19.7 60.5 -49.7 86 86 A A H X S+ 0 0 0 -4,-0.9 4,-1.3 2,-0.2 -2,-0.3 0.756 117.5 60.2 -88.2 -22.4 20.3 63.6 -47.6 87 87 A F H X S+ 0 0 0 -4,-2.9 4,-1.0 -5,-0.3 -3,-0.2 0.825 99.4 63.8 -73.7 -20.2 24.0 62.8 -47.0 88 88 A E H >< S+ 0 0 78 -4,-1.1 3,-1.8 -5,-0.2 -2,-0.2 0.999 104.2 41.0 -63.6 -62.6 24.1 63.1 -50.8 89 89 A K H 3< S+ 0 0 64 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.745 101.4 70.7 -66.6 -13.9 23.1 66.8 -50.9 90 90 A W H 3< S+ 0 0 9 -4,-1.3 2,-2.3 1,-0.3 -1,-0.3 0.959 90.0 65.1 -54.7 -45.0 25.3 67.5 -47.9 91 91 A V S << S+ 0 0 34 -3,-1.8 2,-0.3 -4,-1.0 -1,-0.3 -0.524 97.1 76.3 -74.6 71.0 28.1 66.9 -50.5 92 92 A K S > S- 0 0 87 -2,-2.3 4,-0.5 1,-0.2 5,-0.0 -0.892 88.2 -19.8-179.6 156.3 26.9 69.9 -52.3 93 93 A S T >4 S+ 0 0 61 -2,-0.3 3,-1.1 2,-0.1 -1,-0.2 0.771 93.5 7.8 -8.1 143.3 27.3 73.5 -51.6 94 94 A D T 34 S+ 0 0 123 1,-0.3 3,-0.1 2,-0.2 -1,-0.1 0.712 123.4 26.0 42.7 86.9 28.1 75.7 -48.9 95 95 A E T 34 S+ 0 0 76 1,-0.2 2,-1.3 -4,-0.0 -1,-0.3 -0.584 95.7 105.1 122.1 -32.2 29.3 74.3 -45.7 96 96 A Y << + 0 0 36 -3,-1.1 2,-0.3 -4,-0.5 -2,-0.2 -0.566 45.2 131.6 -71.7 99.2 30.4 71.5 -47.9 97 97 A H + 0 0 139 -2,-1.3 3,-0.1 -3,-0.1 -5,-0.0 -0.886 55.1 27.9-143.4 125.1 34.0 72.6 -47.7 98 98 A G S S+ 0 0 73 -2,-0.3 -2,-0.1 1,-0.2 0, 0.0 -0.838 91.8 54.3 124.5-107.9 36.5 69.8 -46.8 99 99 A P - 0 0 49 0, 0.0 -1,-0.2 0, 0.0 19,-0.0 0.130 63.6-127.1 -72.9-174.6 36.1 66.1 -47.6 100 100 A D + 0 0 86 14,-0.1 3,-0.1 -3,-0.1 14,-0.0 0.940 35.9 158.7 -92.8 -62.8 35.5 64.3 -50.9 101 101 A M + 0 0 0 1,-0.2 2,-0.6 13,-0.1 -10,-0.1 0.879 25.1 167.7 30.0 68.9 32.5 61.9 -50.6 102 102 A T - 0 0 63 1,-0.1 5,-0.3 2,-0.1 -1,-0.2 -0.933 69.1 -27.5-118.4 120.7 32.1 62.1 -54.2 103 103 A D S > S+ 0 0 101 -2,-0.6 3,-1.4 1,-0.2 4,-0.3 0.562 87.0 173.1 16.4 63.2 29.8 59.4 -55.5 104 104 A F T 3> + 0 0 9 1,-0.3 4,-2.0 2,-0.2 5,-0.3 0.112 55.1 79.6 -61.1 -28.5 30.8 57.6 -52.6 105 105 A G H 3> S+ 0 0 44 2,-0.2 4,-0.9 3,-0.1 -1,-0.3 0.922 101.7 48.0 -56.1 -46.2 28.5 54.7 -52.8 106 106 A H H X> S+ 0 0 101 -3,-1.4 3,-1.1 1,-0.2 4,-0.8 0.977 115.0 40.4 -59.7 -70.3 31.0 53.5 -55.3 107 107 A R H 34 S+ 0 0 91 -5,-0.3 8,-0.3 -4,-0.3 -1,-0.2 0.513 106.6 57.3 -68.9 -9.1 34.2 54.2 -53.3 108 108 A S H >< S+ 0 0 26 -4,-2.0 3,-0.9 -3,-0.2 7,-0.2 0.866 104.6 57.7 -76.7 -33.9 33.3 53.1 -49.7 109 109 A Q H << S+ 0 0 136 -3,-1.1 2,-0.4 -4,-0.9 -2,-0.2 0.845 115.0 35.1 -57.2 -44.4 32.5 49.7 -51.2 110 110 A K T 3< S+ 0 0 174 -4,-0.8 -1,-0.3 5,-0.0 4,-0.1 -0.671 105.4 106.5-105.1 66.3 36.1 49.5 -52.6 111 111 A D < - 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