==== 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 1JMG . 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) . 15663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 70.9 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 . 29 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 29.4 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 1 2 2 0 1 0 1 2 0 0 0 0 0 1 0 1 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 0 139 0, 0.0 3,-2.0 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 145.1 5.4 25.8 -41.9 2 2 A L T 3 + 0 0 31 1,-0.3 4,-0.2 40,-0.1 37,-0.1 0.837 360.0 46.4 -46.9 -48.8 4.6 29.5 -42.0 3 3 A E T >> S+ 0 0 8 1,-0.2 4,-1.4 2,-0.1 3,-0.5 0.324 80.6 105.1 -82.0 9.7 7.7 30.8 -43.8 4 4 A Q H X> S+ 0 0 68 -3,-2.0 4,-2.8 1,-0.2 3,-0.7 0.959 70.2 61.4 -55.4 -53.0 7.6 28.1 -46.5 5 5 A P H 3> S+ 0 0 32 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.823 104.3 51.7 -41.8 -41.1 6.4 30.4 -49.3 6 6 A Y H <> S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.924 111.2 44.3 -62.8 -50.7 9.6 32.4 -48.8 7 7 A L H S+ 0 0 77 -4,-2.7 4,-2.9 1,-0.2 5,-1.0 0.897 101.2 54.3 -60.4 -48.4 12.4 29.1 -57.5 13 13 A V H <5S+ 0 0 0 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.829 110.5 50.2 -59.1 -29.5 14.6 32.1 -58.3 14 14 A L H <5S+ 0 0 40 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.966 120.1 34.0 -70.5 -50.8 17.5 29.7 -58.3 15 15 A D H <5S+ 0 0 115 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.929 135.2 20.8 -70.2 -56.3 15.8 27.1 -60.6 16 16 A E T <5S+ 0 0 93 -4,-2.9 -3,-0.2 -5,-0.1 -1,-0.2 0.513 93.4 128.7 -91.3 -9.7 13.7 29.2 -63.0 17 17 A G < - 0 0 12 -5,-1.0 2,-0.4 -4,-0.3 14,-0.2 -0.266 47.8-152.1 -55.3 122.3 15.7 32.3 -62.4 18 18 A H E -A 30 0A 141 12,-2.2 12,-3.0 -2,-0.1 -1,-0.1 -0.813 24.3-110.9 -97.4 132.2 16.9 33.9 -65.6 19 19 A F E +A 29 0A 122 -2,-0.4 10,-0.2 10,-0.2 -1,-0.1 -0.292 44.7 172.1 -58.0 149.7 20.1 35.9 -65.4 20 20 A K E -A 28 0A 94 8,-2.1 8,-1.6 -3,-0.0 2,-0.0 -0.958 28.9-122.6-164.1 135.4 19.5 39.6 -65.8 21 21 A P E -A 27 0A 96 0, 0.0 2,-0.3 0, 0.0 6,-0.1 -0.258 32.5-174.3 -71.2 173.6 21.8 42.7 -65.4 22 22 A D - 0 0 29 4,-0.6 4,-0.1 1,-0.1 6,-0.0 -0.955 37.8 -87.6-160.4 174.7 20.9 45.6 -63.0 23 23 A R S S+ 0 0 157 -2,-0.3 2,-1.5 1,-0.1 -1,-0.1 0.969 114.1 60.3 -55.5 -66.7 21.8 49.1 -61.8 24 24 A T S S- 0 0 17 1,-0.1 2,-2.0 291,-0.1 -1,-0.1 -0.550 109.7-118.7 -66.2 95.0 24.3 48.2 -59.1 25 25 A H S S+ 0 0 174 -2,-1.5 2,-0.3 291,-0.4 -1,-0.1 -0.159 79.3 106.7 -48.6 76.1 26.4 46.5 -61.7 26 26 A T S S- 0 0 36 -2,-2.0 -4,-0.6 -4,-0.1 2,-0.3 -0.701 73.7 -97.9-136.3 176.7 26.4 43.0 -60.3 27 27 A G E -A 21 0A 8 -2,-0.3 235,-2.5 -6,-0.1 236,-0.3 -0.694 34.1-163.7-105.1 161.5 24.3 40.1 -61.8 28 28 A T E -AB 20 261A 2 -8,-1.6 -8,-2.1 233,-0.3 2,-0.6 -0.972 21.8-138.1-142.5 154.9 20.9 38.9 -60.7 29 29 A Y E -AB 19 260A 73 231,-1.8 231,-2.1 -2,-0.3 2,-0.3 -0.984 41.7-171.2-109.2 118.2 18.7 35.8 -61.2 30 30 A S E -AB 18 259A 10 -12,-3.0 -12,-2.2 -2,-0.6 2,-0.3 -0.850 25.5-175.3-122.0 153.3 15.3 37.2 -61.8 31 31 A I E - B 0 258A 17 227,-2.1 227,-1.5 -2,-0.3 2,-0.4 -0.918 19.6-141.3-131.7 161.4 11.7 36.1 -62.0 32 32 A F E + B 0 257A 164 -2,-0.3 225,-0.2 1,-0.3 224,-0.1 -0.978 68.7 17.6-133.9 118.4 8.7 38.3 -62.9 33 33 A G E + 0 0 50 223,-1.9 2,-0.3 -2,-0.4 -1,-0.3 0.751 66.4 156.8 89.7 100.7 5.4 38.0 -61.3 34 34 A H E - B 0 255A 42 221,-0.9 221,-3.3 -3,-0.1 2,-0.3 -0.969 16.7-171.1-148.8 157.0 5.1 36.0 -58.0 35 35 A Q E + B 0 254A 99 -2,-0.3 2,-0.3 219,-0.3 219,-0.2 -0.954 5.5 177.7-154.8 132.0 2.6 36.1 -55.2 36 36 A M E - B 0 253A 9 217,-2.3 217,-2.8 -2,-0.3 2,-0.4 -0.970 13.0-148.1-136.3 151.1 2.8 34.4 -51.8 37 37 A R E - B 0 252A 113 -2,-0.3 2,-0.4 215,-0.2 215,-0.2 -0.934 5.7-162.2-126.3 148.3 0.4 34.4 -48.9 38 38 A F E - B 0 251A 2 213,-3.0 213,-2.5 -2,-0.4 2,-1.5 -0.984 18.6-139.8-128.1 119.5 0.8 34.1 -45.1 39 39 A D E > - B 0 250A 48 -2,-0.4 3,-2.9 211,-0.2 4,-0.3 -0.632 14.8-160.4 -79.7 94.9 -2.1 33.2 -42.9 40 40 A L T 3 S+ 0 0 6 -2,-1.5 3,-0.2 209,-1.1 -1,-0.2 0.464 82.7 71.5 -55.5 -5.3 -1.4 35.6 -40.0 41 41 A S T 3 S+ 0 0 63 208,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.659 91.6 59.0 -86.1 -14.8 -3.6 33.5 -37.7 42 42 A K S < S- 0 0 152 -3,-2.9 2,-0.3 1,-0.3 237,-0.2 0.569 124.1 -71.0 -89.2 -9.6 -1.0 30.8 -37.7 43 43 A G - 0 0 14 -4,-0.3 -1,-0.3 -3,-0.2 238,-0.2 -0.898 64.1 -52.2 146.5-175.4 1.8 33.0 -36.3 44 44 A F - 0 0 1 236,-2.1 2,-1.6 -2,-0.3 187,-0.1 -0.867 44.1-134.3 -98.1 126.3 4.0 35.9 -37.2 45 45 A P + 0 0 2 0, 0.0 2,-0.5 0, 0.0 186,-0.1 -0.107 56.5 136.2 -72.3 40.6 6.0 35.4 -40.5 46 46 A L - 0 0 2 -2,-1.6 -43,-0.1 185,-0.1 -2,-0.1 -0.808 65.5-102.7 -88.2 124.9 9.3 36.6 -39.1 47 47 A L - 0 0 1 -2,-0.5 5,-0.4 180,-0.2 3,-0.1 -0.231 34.9-177.1 -54.9 133.4 11.9 34.1 -40.4 48 48 A T S S+ 0 0 0 229,-0.2 259,-2.3 1,-0.1 -1,-0.1 0.557 78.3 73.4-102.8 -13.7 13.3 31.4 -38.1 49 49 A T S S+ 0 0 0 1,-0.2 2,-0.3 257,-0.2 -1,-0.1 0.464 115.7 12.5 -78.3 -1.1 15.7 30.0 -40.7 50 50 A K S S- 0 0 17 -3,-0.1 2,-0.4 259,-0.0 -1,-0.2 -0.854 93.6 -97.7-172.6 135.8 17.9 33.1 -40.2 51 51 A K - 0 0 128 256,-0.8 259,-0.3 -2,-0.3 -3,-0.1 -0.494 36.3-170.0 -67.0 121.1 17.8 35.8 -37.6 52 52 A V - 0 0 4 -5,-0.4 2,-1.6 -2,-0.4 3,-0.1 -0.919 29.0-117.8-111.8 130.3 16.0 38.9 -38.6 53 53 A P > + 0 0 59 0, 0.0 4,-1.8 0, 0.0 3,-0.5 -0.534 31.2 179.9 -72.5 92.0 16.3 42.1 -36.4 54 54 A F H > S+ 0 0 15 -2,-1.6 4,-2.8 1,-0.2 5,-0.2 0.809 78.8 63.6 -60.4 -31.3 12.6 42.6 -35.3 55 55 A G H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.949 105.1 44.9 -58.1 -49.2 13.7 45.7 -33.3 56 56 A L H > S+ 0 0 49 -3,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.907 113.3 49.7 -58.8 -46.5 14.8 47.4 -36.5 57 57 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.929 111.9 50.3 -60.3 -41.9 11.7 46.4 -38.3 58 58 A K H X S+ 0 0 32 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.942 111.3 44.6 -62.9 -54.1 9.6 47.7 -35.4 59 59 A S H X S+ 0 0 2 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.790 111.7 54.5 -66.3 -27.3 11.2 51.2 -35.1 60 60 A E H X S+ 0 0 23 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.970 107.1 49.2 -70.0 -50.6 11.1 51.7 -38.8 61 61 A L H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.839 110.5 51.1 -57.5 -35.1 7.4 51.0 -39.1 62 62 A L H X S+ 0 0 2 -4,-1.7 4,-1.9 2,-0.2 6,-0.2 0.938 106.0 55.1 -67.4 -44.7 6.6 53.4 -36.2 63 63 A W H <>S+ 0 0 0 -4,-1.7 5,-1.8 1,-0.2 3,-0.3 0.913 111.4 45.2 -52.8 -43.4 8.7 56.1 -38.0 64 64 A F H ><5S+ 0 0 4 -4,-2.1 3,-2.3 1,-0.2 -1,-0.2 0.938 109.8 54.7 -65.2 -49.0 6.5 55.6 -41.0 65 65 A L H 3<5S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.725 102.7 56.6 -57.3 -26.7 3.3 55.6 -38.9 66 66 A H T 3<5S- 0 0 70 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.364 111.5-121.8 -84.7 0.9 4.3 59.0 -37.4 67 67 A G T < 5 + 0 0 24 -3,-2.3 2,-0.2 1,-0.2 -3,-0.2 0.754 64.5 152.3 62.4 23.1 4.4 60.4 -41.0 68 68 A D < + 0 0 51 -5,-1.8 79,-0.4 -6,-0.2 -1,-0.2 -0.565 31.0 172.9 -88.3 148.6 8.0 61.2 -40.0 69 69 A T + 0 0 17 -2,-0.2 73,-2.5 78,-0.2 2,-0.4 0.225 46.0 107.2-135.6 4.7 10.8 61.4 -42.6 70 70 A N B > -F 141 0B 27 71,-0.2 3,-0.7 72,-0.1 4,-0.5 -0.782 64.7-140.2 -93.3 135.8 13.7 62.7 -40.4 71 71 A I T 3> S+ 0 0 2 69,-3.1 4,-2.3 -2,-0.4 3,-0.2 0.672 87.4 85.6 -66.2 -17.9 16.4 60.2 -39.6 72 72 A R H 3> S+ 0 0 48 68,-0.3 4,-2.6 1,-0.2 5,-0.2 0.904 85.6 54.2 -53.8 -44.7 16.7 61.5 -36.0 73 73 A F H <> S+ 0 0 31 -3,-0.7 4,-0.8 1,-0.2 -1,-0.2 0.923 109.5 47.5 -56.0 -48.0 13.9 59.3 -34.7 74 74 A L H >4>S+ 0 0 2 -4,-0.5 5,-2.8 -3,-0.2 3,-1.1 0.942 111.3 49.7 -60.7 -46.7 15.6 56.2 -36.1 75 75 A L H ><5S+ 0 0 11 -4,-2.3 3,-2.6 1,-0.3 -1,-0.2 0.888 104.4 57.6 -60.8 -40.9 19.0 57.1 -34.7 76 76 A Q H 3<5S+ 0 0 131 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.787 109.6 49.6 -59.3 -23.6 17.5 57.7 -31.3 77 77 A H T <<5S- 0 0 54 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.143 119.2-111.4-101.2 18.5 16.3 54.1 -31.7 78 78 A R T < 5S+ 0 0 214 -3,-2.6 2,-0.5 1,-0.2 -3,-0.2 0.687 75.0 139.5 60.3 17.0 19.8 52.7 -32.7 79 79 A N < + 0 0 0 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.816 22.3 166.0 -95.2 128.5 18.3 52.2 -36.2 80 80 A H > + 0 0 98 -2,-0.5 3,-1.5 -3,-0.1 4,-0.3 0.220 36.6 115.2-126.1 15.6 20.6 53.1 -39.0 81 81 A I T 3 S+ 0 0 62 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.904 85.2 39.6 -52.3 -48.8 19.0 51.5 -42.1 82 82 A W T 3> S+ 0 0 35 1,-0.2 4,-1.0 2,-0.1 3,-0.4 0.306 85.8 107.4 -87.2 10.1 18.3 54.9 -43.8 83 83 A D H X> + 0 0 8 -3,-1.5 4,-2.2 1,-0.2 3,-0.5 0.885 69.0 58.7 -53.5 -52.4 21.7 56.4 -42.8 84 84 A E H 3> S+ 0 0 80 -3,-0.4 4,-2.7 -4,-0.3 -1,-0.2 0.859 101.1 56.8 -47.6 -47.0 23.4 56.3 -46.2 85 85 A W H 3> S+ 0 0 63 -3,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.879 111.5 39.0 -58.4 -44.5 20.7 58.4 -47.9 86 86 A A H < S+ 0 0 17 -4,-2.2 3,-1.3 49,-0.2 6,-0.6 0.936 110.1 48.1 -60.1 -49.7 25.3 65.8 -46.6 91 91 A V H 3< S+ 0 0 21 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.838 107.2 53.9 -64.5 -36.4 28.4 64.9 -48.7 92 92 A K T 3< S+ 0 0 160 -4,-2.1 -1,-0.3 -5,-0.2 2,-0.2 0.461 97.1 100.5 -77.7 1.4 27.1 66.4 -51.9 93 93 A S S X S- 0 0 20 -3,-1.3 3,-0.9 -4,-0.2 -3,-0.0 -0.575 85.3-117.5 -91.1 154.1 26.5 69.6 -50.0 94 94 A D T 3 S+ 0 0 154 1,-0.2 -1,-0.1 -2,-0.2 -4,-0.1 0.799 111.3 58.2 -54.0 -38.2 28.6 72.8 -49.8 95 95 A E T 3 S+ 0 0 76 -5,-0.1 2,-1.4 1,-0.1 -1,-0.2 0.817 74.0 104.5 -67.4 -32.4 29.3 72.3 -46.0 96 96 A Y < + 0 0 26 -3,-0.9 2,-1.0 -6,-0.6 -1,-0.1 -0.273 40.2 166.9 -57.8 89.3 30.9 68.9 -46.3 97 97 A H + 0 0 156 -2,-1.4 -1,-0.1 0, 0.0 -2,-0.1 -0.679 38.4 102.6-104.9 73.3 34.5 69.9 -45.8 98 98 A G S S- 0 0 37 -2,-1.0 3,-0.1 1,-0.3 -2,-0.0 -0.592 72.9 -55.6-134.6-163.2 35.9 66.4 -45.3 99 99 A P S S- 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.063 77.6 -56.9 -71.0-176.1 37.9 63.6 -47.1 100 100 A D + 0 0 74 1,-0.2 14,-0.0 3,-0.0 0, 0.0 -0.521 66.0 152.7 -65.8 123.5 37.1 61.9 -50.4 101 101 A M > + 0 0 3 -2,-0.3 3,-2.3 -3,-0.1 -1,-0.2 0.560 18.4 125.8-129.9 -18.9 33.6 60.4 -50.0 102 102 A T T 3 S+ 0 0 115 1,-0.3 -2,-0.0 2,-0.1 -14,-0.0 -0.291 91.2 11.3 -52.0 113.5 32.0 60.2 -53.5 103 103 A D T 3> S+ 0 0 92 -2,-0.1 4,-2.6 3,-0.0 -1,-0.3 0.658 81.4 159.4 86.5 26.6 31.0 56.6 -53.9 104 104 A F H <> + 0 0 11 -3,-2.3 4,-2.5 1,-0.2 5,-0.1 0.828 67.7 50.4 -44.3 -47.0 31.6 55.8 -50.2 105 105 A G H > S+ 0 0 15 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.986 113.7 38.6 -60.3 -66.6 29.4 52.7 -50.2 106 106 A H H >> S+ 0 0 82 1,-0.2 4,-0.6 2,-0.2 3,-0.5 0.847 118.1 53.1 -55.4 -36.3 30.7 50.8 -53.2 107 107 A R H >< S+ 0 0 64 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.932 95.4 65.3 -66.0 -46.6 34.3 51.8 -52.3 108 108 A S H >< S+ 0 0 25 -4,-2.5 3,-1.4 -5,-0.3 -1,-0.2 0.770 90.2 70.4 -48.2 -28.4 34.1 50.6 -48.7 109 109 A Q H << S+ 0 0 73 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.954 118.1 17.7 -54.1 -54.7 33.8 47.1 -50.2 110 110 A K T << S- 0 0 165 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 -0.464 97.1-169.8-115.2 55.4 37.4 47.1 -51.4 111 111 A D < - 0 0 67 -3,-1.4 -3,-0.1 1,-0.2 -4,-0.0 -0.202 23.3-163.0 -53.3 123.9 38.4 50.0 -49.1 112 112 A P S S- 0 0 87 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.695 92.0 -39.8 -79.7 -16.7 41.9 51.4 -49.7 113 113 A E S >> S+ 0 0 91 0, 0.0 4,-0.8 0, 0.0 3,-0.6 0.068 115.9 113.6-177.7 -27.6 41.6 53.0 -46.2 114 114 A F H 3> + 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.677 50.4 84.1 -27.3 -56.3 37.9 54.0 -46.4 115 115 A A H 3> S+ 0 0 34 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.733 104.2 26.5 -20.0 -76.9 36.5 51.6 -43.7 116 116 A A H <> S+ 0 0 72 -3,-0.6 4,-2.3 2,-0.2 5,-0.3 0.929 121.6 55.2 -61.3 -49.2 37.3 53.8 -40.7 117 117 A V H X S+ 0 0 43 -4,-0.8 4,-2.9 2,-0.2 3,-0.5 0.939 115.2 38.2 -49.8 -58.0 37.2 57.1 -42.6 118 118 A Y H X S+ 0 0 24 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.964 116.6 51.7 -57.6 -54.9 33.7 56.5 -43.9 119 119 A H H X S+ 0 0 105 -4,-2.7 4,-0.9 -5,-0.4 -1,-0.2 0.715 114.5 44.1 -58.3 -22.0 32.5 54.9 -40.7 120 120 A E H X 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