==== 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 1TDB . 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) . 15668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 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 . 43 13.7 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 . 2 0.6 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 . 43 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 4 1 1 0 0 0 1 1 1 0 0 0 1 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 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 0 149 0, 0.0 3,-0.2 0, 0.0 274,-0.0 0.000 360.0 360.0 360.0-136.1 4.8 27.0 -45.2 2 2 A L + 0 0 38 1,-0.2 37,-0.2 2,-0.1 41,-0.1 0.865 360.0 47.7 -74.2 -38.6 3.4 30.8 -45.0 3 3 A E S >> S+ 0 0 5 1,-0.2 4,-1.2 2,-0.1 3,-1.2 0.535 81.2 112.4 -84.8 6.9 6.4 32.8 -46.3 4 4 A Q H 3> + 0 0 58 1,-0.3 4,-1.4 -3,-0.2 -1,-0.2 0.652 64.5 62.7 -54.5 -35.9 6.6 30.3 -49.2 5 5 A P H >> S+ 0 0 39 0, 0.0 4,-1.3 0, 0.0 3,-0.8 0.962 106.3 45.1 -43.7 -54.9 5.6 32.9 -51.9 6 6 A Y H X4 S+ 0 0 2 -3,-1.2 3,-1.1 1,-0.3 -2,-0.2 0.936 110.6 53.8 -61.5 -55.9 8.6 35.0 -51.1 7 7 A L H >X S+ 0 0 7 -4,-1.2 4,-0.7 1,-0.2 3,-0.7 0.682 104.9 53.6 -58.1 -15.1 10.9 32.0 -51.1 8 8 A D H S+ 0 0 1 -3,-0.7 4,-1.4 -4,-0.2 -1,-0.3 0.678 107.9 55.7-101.1 -32.2 14.2 33.5 -55.9 11 11 A K H >X S+ 0 0 100 -4,-0.7 4,-2.0 -3,-0.4 3,-1.3 0.999 109.3 44.2 -57.9 -67.3 13.8 30.0 -57.3 12 12 A K H 3X S+ 0 0 80 -4,-2.3 4,-0.8 1,-0.3 5,-0.2 0.790 111.0 55.4 -47.6 -32.7 12.1 31.3 -60.5 13 13 A V H 3> S+ 0 0 0 -5,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.838 110.2 45.4 -73.8 -36.9 14.8 34.2 -60.9 14 14 A L H X< S+ 0 0 53 -4,-1.4 3,-1.1 -3,-1.3 -2,-0.2 0.979 120.8 40.6 -59.4 -62.7 17.6 31.6 -60.8 15 15 A D H 3< S+ 0 0 140 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.361 128.3 29.8 -73.2 8.4 15.6 29.4 -63.3 16 16 A E H 3< S+ 0 0 91 -4,-0.8 -1,-0.3 -5,-0.2 -3,-0.2 0.351 85.4 159.4-135.6 -9.7 14.3 32.2 -65.5 17 17 A G << - 0 0 28 -3,-1.1 2,-0.6 -4,-0.9 14,-0.2 0.203 27.1-164.2 -28.0 111.9 17.2 34.6 -65.1 18 18 A H E -A 30 0A 132 12,-1.7 12,-2.2 -5,-0.1 2,-1.0 -0.907 21.9-137.7 -95.8 128.7 17.4 37.1 -67.6 19 19 A F E -A 29 0A 101 -2,-0.6 10,-0.2 10,-0.2 -2,-0.0 -0.804 23.8-168.7 -94.3 108.8 21.0 38.4 -67.0 20 20 A K E -A 28 0A 87 8,-1.2 2,-1.0 -2,-1.0 8,-0.9 -0.741 20.2-149.6 -90.2 125.3 20.7 42.2 -67.5 21 21 A P E + 0 0 76 0, 0.0 5,-0.1 0, 0.0 2,-0.0 -0.865 56.6 123.8 -84.4 106.8 23.9 44.5 -67.7 22 22 A D E > +A 25 0A 45 3,-1.2 3,-0.7 -2,-1.0 4,-0.1 0.285 42.0 60.2-125.0-108.8 22.3 47.5 -66.1 23 23 A R T 3 S- 0 0 112 1,-0.3 3,-0.2 -3,-0.1 5,-0.0 0.391 142.8 -34.6 20.9-112.8 23.8 49.3 -62.8 24 24 A T T 3 S- 0 0 86 3,-0.0 2,-0.9 0, 0.0 -1,-0.3 -0.175 106.7 -85.2-112.5 40.8 27.3 50.5 -63.6 25 25 A H E < S+A 22 0A 122 -3,-0.7 2,-2.8 -5,-0.0 -3,-1.2 -0.925 90.7 149.0 76.1 -79.4 26.5 47.1 -65.5 26 26 A T E - 0 0 77 -2,-0.9 -3,-0.0 -3,-0.2 2,-0.0 -0.263 62.3 -85.3 59.0 -51.7 27.7 45.3 -62.2 27 27 A G E + 0 0 2 -2,-2.8 235,-2.2 -7,-0.2 236,-0.5 0.113 50.1 178.9 127.3 133.6 25.3 42.3 -62.9 28 28 A T E -AB 20 261A 0 -8,-0.9 -8,-1.2 233,-0.3 2,-0.5 -0.988 21.1-145.9-152.3 152.5 21.6 41.3 -62.3 29 29 A Y E +AB 19 260A 63 231,-1.9 231,-3.1 -2,-0.3 -10,-0.2 -0.992 35.5 174.2-114.8 123.3 19.2 38.5 -63.0 30 30 A S E -AB 18 259A 7 -12,-2.2 -12,-1.7 -2,-0.5 2,-0.2 -0.611 25.9-165.4-115.9-175.8 15.7 39.7 -63.6 31 31 A I E - B 0 258A 16 227,-1.1 227,-0.6 -2,-0.2 2,-0.3 -0.807 25.0-126.2-147.8-176.3 12.2 38.6 -64.5 32 32 A F E S+ B 0 257A 162 1,-0.4 225,-0.2 -2,-0.2 2,-0.1 -0.714 73.6 2.4-149.7 106.0 9.2 40.9 -65.7 33 33 A G E + 0 0 32 223,-3.2 -1,-0.4 -2,-0.3 2,-0.3 0.151 64.0 166.8 89.7 133.4 5.9 40.8 -64.0 34 34 A H E - B 0 255A 39 221,-1.2 221,-3.1 -3,-0.1 2,-0.3 -0.883 15.9-163.2-168.6 133.5 5.3 38.5 -61.0 35 35 A Q E + B 0 254A 95 -2,-0.3 2,-0.3 219,-0.3 219,-0.3 -0.940 11.9 174.1-117.8 164.6 2.3 38.5 -58.5 36 36 A M E - B 0 253A 14 217,-2.5 217,-2.5 -2,-0.3 2,-0.2 -0.852 15.8-151.8-173.4 115.0 2.6 36.6 -55.1 37 37 A R E - B 0 252A 122 -2,-0.3 2,-0.4 215,-0.2 215,-0.2 -0.556 4.5-155.0-103.0 168.2 -0.1 36.8 -52.5 38 38 A F E - B 0 251A 8 213,-0.8 213,-2.2 -2,-0.2 2,-1.2 -0.989 16.2-134.6-150.6 134.1 -0.1 36.5 -48.6 39 39 A D E >> - B 0 250A 49 -2,-0.4 3,-2.1 -37,-0.2 4,-0.7 -0.694 16.0-171.7 -94.0 102.4 -2.7 35.6 -46.2 40 40 A L T 34 S+ 0 0 5 209,-1.5 210,-0.2 -2,-1.2 -1,-0.2 0.570 83.7 60.1 -72.1 -5.6 -2.5 38.1 -43.5 41 41 A S T 34 S+ 0 0 76 208,-0.6 -1,-0.3 1,-0.2 3,-0.1 0.453 97.0 62.0 -93.0 -9.8 -5.0 36.1 -41.3 42 42 A K T <4 S- 0 0 153 -3,-2.1 2,-0.2 1,-0.4 -2,-0.2 0.784 125.7 -59.8 -82.3 -37.6 -2.6 33.2 -41.3 43 43 A G < - 0 0 8 -4,-0.7 -1,-0.4 -41,-0.1 238,-0.2 -0.794 64.5 -70.8 161.6 166.3 0.2 35.1 -39.5 44 44 A F - 0 0 2 236,-2.2 2,-2.9 -2,-0.2 187,-0.1 -0.708 47.6-119.5 -87.0 123.0 2.3 38.2 -40.1 45 45 A P + 0 0 0 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.186 54.4 146.4 -57.3 57.5 5.0 37.8 -43.0 46 46 A L - 0 0 0 -2,-2.9 2,-0.2 234,-0.2 -43,-0.1 -0.783 56.6-110.6-101.4 134.1 8.2 38.4 -41.2 47 47 A L - 0 0 2 -2,-0.5 5,-0.4 180,-0.2 3,-0.3 -0.502 31.3-173.9 -63.5 125.3 10.7 36.3 -42.8 48 48 A T S S+ 0 0 0 -2,-0.2 259,-0.9 1,-0.2 -1,-0.1 0.639 78.4 64.9-107.9 -7.7 11.9 33.4 -40.6 49 49 A T S S+ 0 0 0 257,-0.2 2,-0.2 225,-0.1 -1,-0.2 -0.229 117.8 22.1-100.2 42.4 14.8 32.1 -42.9 50 50 A K S S- 0 0 22 -3,-0.3 2,-0.6 257,-0.2 257,-0.5 -0.742 91.2-107.8 177.7 168.2 16.6 35.4 -42.4 51 51 A K - 0 0 77 -2,-0.2 -3,-0.1 257,-0.2 259,-0.0 -0.964 30.8-170.7-123.0 118.3 16.3 38.1 -39.5 52 52 A V - 0 0 4 -2,-0.6 2,-1.2 -5,-0.4 3,-0.0 -0.961 27.6-121.9-118.1 122.7 14.7 41.2 -40.6 53 53 A P >> - 0 0 48 0, 0.0 4,-0.9 0, 0.0 3,-0.5 -0.515 22.3-166.8 -73.6 92.7 14.8 44.0 -38.0 54 54 A F H 3> S+ 0 0 13 -2,-1.2 4,-2.0 1,-0.2 5,-0.2 0.717 81.0 66.4 -52.0 -30.7 11.1 44.9 -37.4 55 55 A G H 3> S+ 0 0 33 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.993 99.6 46.3 -50.9 -61.0 12.1 48.1 -35.6 56 56 A L H <> S+ 0 0 59 -3,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.758 110.3 57.0 -65.5 -22.5 13.6 49.9 -38.7 57 57 A I H X S+ 0 0 1 -4,-0.9 4,-1.3 2,-0.2 -1,-0.2 0.958 114.6 34.1 -69.4 -58.1 10.5 48.9 -40.8 58 58 A K H X S+ 0 0 34 -4,-2.0 4,-2.7 2,-0.3 5,-0.3 0.856 112.7 60.7 -71.5 -27.4 7.9 50.5 -38.5 59 59 A S H X S+ 0 0 11 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.920 110.5 44.8 -63.1 -46.6 10.3 53.4 -37.7 60 60 A E H X S+ 0 0 30 -4,-1.7 4,-1.7 -5,-0.3 -2,-0.3 0.724 113.9 46.1 -68.5 -24.3 10.1 53.9 -41.4 61 61 A L H X S+ 0 0 6 -4,-1.3 4,-3.2 2,-0.2 5,-0.4 0.847 110.8 52.5 -84.8 -33.0 6.1 53.6 -41.8 62 62 A L H X S+ 0 0 0 -4,-2.7 4,-0.9 2,-0.3 6,-0.3 0.855 105.8 53.8 -77.1 -26.5 5.5 55.8 -38.9 63 63 A W H <>S+ 0 0 0 -4,-1.2 5,-1.8 -5,-0.3 3,-0.4 0.995 113.5 47.0 -55.0 -48.1 7.8 58.2 -40.8 64 64 A F H ><5S+ 0 0 7 -4,-1.7 3,-1.4 1,-0.2 87,-0.3 0.837 112.2 42.7 -67.9 -46.9 5.2 57.6 -43.6 65 65 A L H 3<5S+ 0 0 1 -4,-3.2 -1,-0.2 1,-0.3 -3,-0.2 0.702 106.3 65.7 -74.5 -12.3 1.8 58.0 -41.8 66 66 A H T 3<5S- 0 0 64 -4,-0.9 -1,-0.3 -5,-0.4 -2,-0.2 0.591 110.2-126.7 -81.7 -3.1 3.2 61.0 -40.0 67 67 A G T < 5 + 0 0 21 -3,-1.4 -3,-0.2 1,-0.3 2,-0.1 0.551 54.0 169.1 74.7 20.0 3.3 62.6 -43.4 68 68 A D < + 0 0 41 -5,-1.8 79,-0.5 -6,-0.3 80,-0.3 -0.335 36.8 176.8 -90.7 143.2 6.8 63.2 -42.5 69 69 A T + 0 0 29 78,-0.2 73,-2.2 -3,-0.1 2,-0.6 0.269 47.7 112.4-105.7 -2.5 9.7 64.3 -44.8 70 70 A N B >> -F 141 0B 29 71,-0.2 3,-1.1 1,-0.1 4,-1.0 -0.819 52.1-161.6-113.7 125.6 12.5 64.6 -42.3 71 71 A I H >> S+ 0 0 0 69,-1.7 4,-2.3 -2,-0.6 3,-0.9 0.881 94.2 68.6 -55.4 -41.4 15.7 62.7 -41.8 72 72 A R H 3> S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.815 97.7 50.2 -45.0 -45.4 15.8 64.1 -38.2 73 73 A F H <4 S+ 0 0 29 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.824 113.6 45.1 -72.3 -33.8 12.6 62.0 -37.0 74 74 A L H X<>S+ 0 0 0 -4,-1.0 5,-2.1 -3,-0.9 3,-1.9 0.930 112.1 52.3 -73.7 -45.5 14.1 58.8 -38.4 75 75 A L H ><5S+ 0 0 11 -4,-2.3 3,-2.1 1,-0.3 -2,-0.2 0.880 104.2 54.3 -54.7 -44.0 17.6 59.5 -36.9 76 76 A Q T 3<5S+ 0 0 112 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.378 107.8 53.4 -77.7 10.8 16.2 60.1 -33.5 77 77 A H T < 5S- 0 0 45 -3,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 -0.045 122.3-107.8-117.9 26.4 14.7 56.6 -34.0 78 78 A R T < 5S+ 0 0 212 -3,-2.1 2,-0.6 1,-0.2 -3,-0.2 0.548 71.0 151.4 49.2 19.9 18.1 55.1 -34.9 79 79 A N < + 0 0 0 -5,-2.1 3,-0.3 1,-0.2 -1,-0.2 -0.505 21.2 166.0 -90.2 116.2 16.9 54.8 -38.5 80 80 A H + 0 0 98 -2,-0.6 3,-0.2 1,-0.2 4,-0.2 0.198 41.9 112.0-116.4 24.3 19.5 55.0 -41.0 81 81 A I S S+ 0 0 59 1,-0.2 -1,-0.2 -25,-0.1 -2,-0.1 0.619 87.5 29.5 -68.7 -17.7 17.5 53.8 -44.0 82 82 A W S >> S+ 0 0 26 -3,-0.3 3,-2.1 -11,-0.1 4,-0.5 0.559 79.4 113.3-125.2 -8.0 17.6 57.2 -45.7 83 83 A D H >> S+ 0 0 9 1,-0.3 3,-2.8 -3,-0.2 4,-2.2 0.832 71.6 54.8 -34.2 -77.4 20.8 59.1 -44.9 84 84 A E H 3> S+ 0 0 75 1,-0.3 4,-1.4 2,-0.3 -1,-0.3 0.602 97.1 66.4 -40.3 -18.3 22.8 59.3 -48.2 85 85 A W H <4 S+ 0 0 103 -3,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.811 116.1 28.9 -77.6 -18.2 19.9 60.9 -50.1 86 86 A A H << S+ 0 0 0 -3,-2.8 -2,-0.3 -4,-0.5 3,-0.2 0.526 115.8 59.2-109.9 -20.3 20.3 64.0 -47.9 87 87 A F H >X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.3 3,-1.5 0.786 93.7 70.1 -77.7 -16.3 24.0 63.2 -47.5 88 88 A E T 3< S+ 0 0 76 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.819 100.8 47.5 -62.7 -22.2 23.8 63.6 -51.4 89 89 A K T 34 S+ 0 0 59 -3,-0.2 -1,-0.3 50,-0.2 3,-0.2 0.429 96.4 66.6-105.0 12.0 23.2 67.3 -50.5 90 90 A W T <4 S+ 0 0 2 -3,-1.5 2,-1.9 1,-0.3 6,-0.2 0.898 97.7 56.3 -77.7 -42.6 26.0 67.5 -48.1 91 91 A V S < S+ 0 0 34 -4,-1.6 2,-0.3 10,-0.1 -1,-0.3 -0.671 102.9 76.7 -82.4 86.6 28.2 66.9 -51.2 92 92 A K S S- 0 0 95 -2,-1.9 4,-0.3 -3,-0.2 3,-0.1 -0.833 93.2 -20.6 173.2 169.7 26.5 69.9 -52.6 93 93 A S S S- 0 0 67 -2,-0.3 3,-0.2 1,-0.1 4,-0.1 0.227 89.0 -13.9 -59.7 155.8 27.1 73.5 -51.6 94 94 A D S S+ 0 0 126 2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.707 110.4 43.0 10.7 113.1 28.6 75.4 -48.8 95 95 A E S S+ 0 0 87 -3,-0.1 2,-1.1 1,-0.1 -1,-0.2 -0.588 95.1 96.0 146.0 -25.5 29.5 74.4 -45.4 96 96 A Y + 0 0 32 -4,-0.3 2,-0.4 -6,-0.2 -2,-0.3 -0.553 51.8 154.9 -80.1 94.0 30.8 71.4 -47.3 97 97 A H - 0 0 139 -2,-1.1 3,-0.1 -3,-0.1 -1,-0.0 -0.897 56.1 -4.0-133.3 105.7 34.4 72.5 -47.5 98 98 A G S S+ 0 0 78 1,-0.4 2,-0.3 -2,-0.4 -2,-0.1 0.402 95.0 86.9 99.6 1.9 37.1 69.8 -47.9 99 99 A P - 0 0 42 0, 0.0 -1,-0.4 0, 0.0 19,-0.0 -0.772 60.6-147.7 -91.8 176.3 36.0 66.2 -47.8 100 100 A D + 0 0 84 -2,-0.3 3,-0.1 -3,-0.1 4,-0.0 0.763 24.6 170.0-100.2 -81.6 34.9 64.6 -51.1 101 101 A M > + 0 0 2 1,-0.2 2,-0.9 3,-0.1 3,-0.6 0.843 21.5 176.6 60.5 48.0 32.1 61.9 -51.0 102 102 A T T 3 S- 0 0 76 1,-0.3 5,-0.3 2,-0.1 -1,-0.2 -0.640 75.2 -29.9-103.3 105.7 31.8 62.0 -54.7 103 103 A D T > S+ 0 0 98 -2,-0.9 3,-1.6 -3,-0.1 -1,-0.3 0.760 89.0 178.5 41.4 50.6 29.4 59.4 -55.5 104 104 A F T <> + 0 0 7 -3,-0.6 4,-0.9 1,-0.3 5,-0.2 0.296 56.9 82.7 -40.0 -25.1 30.7 57.8 -52.5 105 105 A G H >> S+ 0 0 51 1,-0.2 4,-1.2 2,-0.2 3,-0.5 0.928 100.1 47.3 -55.1 -40.8 28.5 54.6 -52.4 106 106 A H H <> S+ 0 0 90 -3,-1.6 4,-3.1 1,-0.2 3,-0.3 0.917 110.8 43.0 -66.7 -55.5 31.0 53.3 -54.9 107 107 A R H 34 S+ 0 0 94 -4,-0.3 8,-0.4 -5,-0.3 -1,-0.2 0.454 110.7 58.1 -80.1 -2.1 34.4 54.1 -53.4 108 108 A S H X< S+ 0 0 24 -4,-0.9 3,-0.6 -3,-0.5 7,-0.2 0.759 108.6 44.3 -90.0 -33.8 33.3 53.0 -49.9 109 109 A Q H 3< S+ 0 0 123 -4,-1.2 2,-0.6 -3,-0.3 -2,-0.2 0.964 120.7 42.3 -70.7 -53.5 32.4 49.6 -51.1 110 110 A K T 3< S+ 0 0 184 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.031 111.7 88.7 -88.2 43.3 35.8 49.8 -53.1 111 111 A D < - 0 0 34 -3,-0.6 -3,-0.1 -2,-0.6 2,-0.0 -0.454 52.5-167.5-110.3 174.5 37.5 51.4 -50.1 112 112 A P S > S+ 0 0 103 0, 0.0 4,-0.8 0, 0.0 3,-0.2 0.103 99.1 1.1-110.5 -81.0 39.4 50.9 -46.9 113 113 A E H > S+ 0 0 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