==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METHYLTRANSFERASE 19-JUN-98 2TSR . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR R.R.SOTELO-MUNDO,J.CIESLA,J.M.DZIK,W.RODE,F.MALEY,G.MALEY,L. . 1128 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44245.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 777 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 14.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 116 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 281 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.8 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 3 4 6 1 0 4 0 4 2 3 3 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 0 8 4 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 0 4 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 21 A Q 0 0 226 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -51.6 25.3 49.3 22.0 2 22 A H > - 0 0 51 1,-0.1 3,-0.8 245,-0.0 4,-0.4 -0.372 360.0-135.5 -65.8 139.5 26.9 49.1 18.5 3 23 A G T >> S+ 0 0 11 1,-0.2 3,-1.4 2,-0.2 4,-0.7 0.842 99.8 62.9 -65.8 -35.2 26.3 45.9 16.7 4 24 A E H 3> S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.728 88.4 71.3 -63.8 -22.4 29.8 45.4 15.5 5 25 A L H <> S+ 0 0 50 -3,-0.8 4,-2.3 1,-0.2 -1,-0.3 0.817 92.0 59.2 -64.1 -28.5 31.0 45.1 19.1 6 26 A Q H <> S+ 0 0 64 -3,-1.4 4,-1.7 -4,-0.4 -1,-0.2 0.907 106.9 44.6 -65.7 -44.0 29.3 41.7 19.2 7 27 A Y H X S+ 0 0 1 -4,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.914 113.7 50.9 -65.6 -43.5 31.5 40.4 16.3 8 28 A L H X S+ 0 0 12 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.870 109.1 51.0 -63.0 -36.3 34.5 41.9 17.9 9 29 A R H X S+ 0 0 153 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.853 108.4 52.2 -69.7 -33.5 33.7 40.3 21.2 10 30 A Q H X S+ 0 0 13 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.905 110.4 47.3 -67.5 -42.4 33.3 36.9 19.5 11 31 A V H X S+ 0 0 1 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.880 113.8 48.7 -64.7 -38.5 36.8 37.3 17.9 12 32 A E H X S+ 0 0 69 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.888 108.6 54.2 -68.1 -40.0 38.2 38.3 21.3 13 33 A H H X S+ 0 0 84 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.874 107.5 49.4 -62.3 -41.4 36.5 35.3 22.9 14 34 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.903 112.4 46.7 -66.6 -41.7 38.1 32.8 20.5 15 35 A M H < S+ 0 0 54 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.859 119.0 44.3 -66.3 -32.8 41.5 34.3 21.0 16 36 A R H < S+ 0 0 185 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.862 132.9 13.2 -80.3 -41.1 40.8 34.2 24.7 17 37 A C H < S+ 0 0 68 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.2 0.297 93.7 122.6-123.6 8.7 39.3 30.7 25.1 18 38 A G < - 0 0 21 -4,-2.1 2,-0.3 -5,-0.2 14,-0.2 -0.302 51.4-131.9 -76.6 158.9 39.9 28.9 21.9 19 39 A F E -A 31 0A 99 12,-2.2 12,-2.3 -2,-0.0 2,-0.6 -0.830 26.8-106.1-108.2 147.7 41.8 25.5 21.4 20 40 A K E +A 30 0A 147 -2,-0.3 10,-0.2 10,-0.2 2,-0.1 -0.613 54.3 160.6 -75.6 116.2 44.5 24.8 18.9 21 41 A K E -A 29 0A 6 8,-3.0 8,-1.0 -2,-0.6 2,-0.3 -0.405 28.6-119.0-120.7-164.7 43.0 22.7 16.1 22 42 A E - 0 0 87 6,-0.2 2,-0.1 -2,-0.1 -1,-0.0 -0.857 14.5-135.4-137.0 171.8 43.8 21.7 12.5 23 43 A D - 0 0 22 -2,-0.3 406,-0.1 1,-0.0 407,-0.1 -0.367 34.1 -99.8-115.2-167.2 42.2 22.0 9.0 24 44 A R S S+ 0 0 142 -2,-0.1 406,-0.0 1,-0.1 -1,-0.0 0.781 128.6 35.7 -83.8 -34.6 41.7 19.8 5.9 25 45 A T S S- 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.710 118.1-114.6 -88.6 -27.6 44.7 21.4 4.3 26 46 A G + 0 0 50 0, 0.0 -4,-0.1 0, 0.0 -2,-0.0 0.920 67.7 131.2 88.2 80.1 46.7 21.7 7.5 27 47 A T - 0 0 75 206,-0.0 -5,-0.1 0, 0.0 206,-0.0 0.606 61.2-112.5-127.1 -37.1 47.2 25.3 8.5 28 48 A G - 0 0 2 205,-0.1 205,-2.0 204,-0.1 206,-0.3 0.364 31.9-164.1 103.2 126.6 46.2 25.6 12.2 29 49 A T E -AB 21 232A 0 -8,-1.0 -8,-3.0 203,-0.2 2,-0.5 -0.910 23.5-127.6-139.9 162.2 43.4 27.4 13.9 30 50 A L E -AB 20 231A 28 201,-2.3 201,-1.7 -2,-0.3 2,-0.4 -0.962 44.1-168.8-105.9 127.7 42.1 28.6 17.3 31 51 A S E +AB 19 230A 1 -12,-2.3 -12,-2.2 -2,-0.5 2,-0.3 -0.943 28.5 179.6-135.3 150.2 38.6 27.3 17.7 32 52 A V E - B 0 229A 16 197,-1.8 197,-2.5 -2,-0.4 2,-0.5 -0.953 24.7-136.1-134.2 146.7 35.4 27.5 19.8 33 53 A F E S+ B 0 228A 7 -2,-0.3 195,-0.2 195,-0.2 194,-0.1 -0.946 70.3 16.0-114.9 121.9 32.2 25.5 19.3 34 54 A G E + 0 0 4 193,-2.7 2,-0.3 -2,-0.5 -1,-0.2 0.862 63.7 166.7 87.4 96.5 28.8 27.2 19.5 35 55 A M E - B 0 226A 15 191,-1.2 191,-2.8 -3,-0.1 2,-0.3 -0.958 13.2-165.1-136.6 153.3 28.4 30.9 19.3 36 56 A Q E + B 0 225A 50 -2,-0.3 2,-0.3 189,-0.2 189,-0.2 -0.987 7.8 175.0-145.9 133.5 25.4 33.2 18.8 37 57 A A E - B 0 224A 3 187,-2.0 187,-2.7 -2,-0.3 2,-0.5 -0.954 17.4-146.9-133.5 153.0 25.0 36.9 18.0 38 58 A R E - B 0 223A 83 -2,-0.3 2,-0.5 185,-0.2 185,-0.2 -0.957 11.5-167.5-127.2 115.7 22.0 39.2 17.3 39 59 A Y E - B 0 222A 2 183,-2.6 183,-1.9 -2,-0.5 2,-0.4 -0.870 18.9-132.3-105.1 129.8 22.2 42.1 14.8 40 60 A S E - B 0 221A 38 -2,-0.5 181,-0.2 181,-0.2 -37,-0.1 -0.642 16.1-172.2 -79.5 131.3 19.5 44.7 14.6 41 61 A L > + 0 0 1 179,-2.7 3,-0.8 -2,-0.4 2,-0.7 0.338 44.6 125.1-102.7 2.6 18.4 45.5 11.1 42 62 A R T 3 S- 0 0 90 178,-0.4 178,-0.1 1,-0.3 -2,-0.1 -0.541 94.4 -25.2 -72.2 108.6 16.2 48.4 12.1 43 63 A D T 3 S+ 0 0 137 -2,-0.7 2,-0.3 176,-0.1 -1,-0.3 0.652 129.5 73.4 61.6 19.8 17.3 51.5 10.2 44 64 A E < - 0 0 57 -3,-0.8 208,-0.2 208,-0.1 -1,-0.1 -0.986 68.3-138.6-159.2 149.9 20.8 50.1 9.7 45 65 A F - 0 0 0 206,-2.5 2,-2.0 -2,-0.3 -4,-0.1 -0.967 24.8-126.0-115.0 127.1 22.6 47.5 7.7 46 66 A P + 0 0 0 0, 0.0 2,-0.7 0, 0.0 159,-0.1 -0.419 51.6 145.0 -73.5 73.6 25.4 45.3 9.3 47 67 A L - 0 0 0 -2,-2.0 -2,-0.1 204,-0.1 -43,-0.1 -0.954 54.2-116.6-111.7 106.6 28.3 45.9 6.9 48 68 A L - 0 0 2 -2,-0.7 5,-0.4 150,-0.3 154,-0.0 -0.081 27.2-170.4 -48.8 139.8 31.4 45.9 9.2 49 69 A T S S+ 0 0 0 199,-0.2 229,-3.3 228,-0.1 3,-0.2 0.678 75.4 71.0-105.2 -26.4 33.5 49.0 9.5 50 70 A T S S+ 0 0 0 1,-0.3 2,-0.3 227,-0.2 -1,-0.1 0.609 119.0 16.5 -68.2 -11.3 36.7 47.9 11.4 51 71 A K S S- 0 0 64 229,-0.0 -1,-0.3 230,-0.0 229,-0.1 -0.880 96.4-101.3-161.7 129.1 37.6 46.1 8.2 52 72 A R - 0 0 129 226,-0.4 2,-0.4 -2,-0.3 -3,-0.1 -0.214 29.3-149.2 -55.1 135.0 36.2 46.5 4.7 53 73 A V - 0 0 10 -5,-0.4 2,-2.0 145,-0.1 3,-0.1 -0.922 24.2-116.2-110.8 131.9 33.6 44.0 3.4 54 74 A F >> + 0 0 44 -2,-0.4 4,-1.7 1,-0.2 3,-0.5 -0.462 39.4 176.7 -66.9 80.5 33.4 43.2 -0.3 55 75 A W H 3> S+ 0 0 48 -2,-2.0 4,-2.4 1,-0.2 5,-0.2 0.875 75.6 55.4 -55.6 -45.5 29.9 44.6 -0.9 56 76 A K H 3> S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.856 108.3 52.8 -58.5 -33.5 29.8 44.0 -4.6 57 77 A G H <> S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.924 108.7 45.0 -69.3 -47.3 30.6 40.4 -3.8 58 78 A V H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.910 116.6 48.3 -65.1 -37.8 27.8 39.7 -1.3 59 79 A L H X S+ 0 0 6 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.951 116.3 40.6 -66.6 -50.9 25.3 41.5 -3.7 60 80 A E H X S+ 0 0 25 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.824 113.8 54.0 -69.0 -32.5 26.4 39.6 -6.8 61 81 A E H X S+ 0 0 5 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.919 110.0 47.1 -69.4 -40.5 26.7 36.3 -5.0 62 82 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.885 110.2 50.7 -68.2 -40.2 23.2 36.5 -3.6 63 83 A L H X S+ 0 0 23 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.826 110.6 52.4 -65.6 -28.9 21.6 37.4 -6.9 64 84 A W H <>S+ 0 0 3 -4,-1.3 5,-1.2 2,-0.2 4,-0.3 0.816 108.7 49.5 -74.3 -34.1 23.4 34.4 -8.3 65 85 A F H ><5S+ 0 0 0 -4,-1.5 3,-1.6 2,-0.2 -2,-0.2 0.938 110.5 49.1 -68.8 -50.3 22.0 32.2 -5.6 66 86 A I H 3<5S+ 0 0 5 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.853 103.0 61.8 -58.0 -36.6 18.4 33.4 -6.3 67 87 A K T 3<5S- 0 0 107 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.686 110.7-125.7 -65.0 -17.6 18.9 32.8 -10.0 68 88 A G T < 5 + 0 0 13 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.521 55.6 156.3 81.9 7.9 19.4 29.1 -9.1 69 89 A S < + 0 0 12 -5,-1.2 41,-0.4 1,-0.1 -1,-0.2 -0.301 32.2 178.7 -70.4 148.2 22.8 29.1 -10.9 70 90 A T + 0 0 6 53,-0.2 35,-2.3 40,-0.1 2,-0.6 0.183 51.8 110.7-128.6 7.0 25.6 26.6 -10.1 71 91 A N B > -F 104 0B 26 33,-0.2 3,-0.6 52,-0.2 4,-0.5 -0.783 51.4-163.2 -90.5 117.2 27.9 28.0 -12.8 72 92 A A T >> S+ 0 0 3 31,-3.2 4,-2.0 -2,-0.6 3,-1.0 0.811 88.5 63.6 -69.6 -29.5 30.9 29.7 -11.3 73 93 A K H 3> S+ 0 0 105 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.760 94.2 61.4 -65.5 -25.0 31.7 31.4 -14.6 74 94 A E H <4 S+ 0 0 72 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.747 111.2 39.0 -73.2 -23.7 28.3 33.2 -14.4 75 95 A L H X4>S+ 0 0 2 -3,-1.0 5,-1.6 -4,-0.5 3,-0.8 0.751 111.4 58.1 -93.9 -31.0 29.6 34.9 -11.2 76 96 A S H ><5S+ 0 0 35 -4,-2.0 3,-2.1 1,-0.2 -2,-0.2 0.896 99.3 57.5 -66.3 -42.1 33.2 35.4 -12.5 77 97 A S T 3<5S+ 0 0 98 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.608 99.2 62.0 -65.7 -12.1 32.1 37.5 -15.5 78 98 A K T < 5S- 0 0 90 -3,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.471 125.5-101.4 -90.2 -5.2 30.4 39.9 -13.0 79 99 A G T < 5S+ 0 0 34 -3,-2.1 2,-0.7 1,-0.2 -3,-0.2 0.515 90.6 116.6 96.8 7.1 33.8 40.6 -11.5 80 100 A V < + 0 0 0 -5,-1.6 3,-0.4 1,-0.1 -2,-0.2 -0.877 32.0 171.0-113.3 99.9 33.3 38.4 -8.4 81 101 A R > + 0 0 192 -2,-0.7 3,-0.7 1,-0.2 4,-0.3 -0.060 39.0 116.1 -98.9 32.4 35.9 35.6 -8.5 82 102 A I T 3 S+ 0 0 19 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.624 82.4 40.5 -77.8 -11.5 35.4 34.1 -5.0 83 103 A W T 3> S+ 0 0 12 -3,-0.4 4,-0.7 -11,-0.2 -1,-0.2 0.277 86.9 98.7-115.4 7.7 34.2 30.7 -6.4 84 104 A D T X4 S+ 0 0 59 -3,-0.7 3,-0.5 1,-0.2 4,-0.5 0.850 77.4 55.8 -64.1 -39.9 36.7 30.4 -9.2 85 105 A A G >4 S+ 0 0 72 -4,-0.3 3,-0.5 1,-0.2 6,-0.3 0.855 109.2 47.9 -62.7 -34.7 39.2 28.2 -7.3 86 106 A N G 34 S+ 0 0 20 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.618 111.7 49.7 -81.8 -15.3 36.4 25.6 -6.7 87 107 A G G << S+ 0 0 4 -4,-0.7 16,-2.4 -3,-0.5 17,-0.3 0.377 86.9 116.6-104.2 3.7 35.2 25.6 -10.3 88 108 A S S <> S- 0 0 34 -3,-0.5 4,-2.3 -4,-0.5 5,-0.2 -0.273 75.7-117.3 -71.9 157.7 38.7 25.1 -11.9 89 109 A R H > S+ 0 0 84 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.869 114.4 52.7 -60.7 -38.8 39.7 22.1 -13.9 90 110 A D H > S+ 0 0 131 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.923 111.8 43.1 -65.5 -46.6 42.3 21.2 -11.3 91 111 A F H > S+ 0 0 59 -6,-0.3 4,-0.7 1,-0.2 -2,-0.2 0.885 113.3 50.7 -69.3 -40.9 39.9 21.2 -8.3 92 112 A L H <>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 4,-0.3 0.825 111.0 50.6 -66.7 -30.4 37.1 19.4 -10.1 93 113 A D H ><5S+ 0 0 71 -4,-1.5 3,-0.6 -5,-0.2 -1,-0.2 0.822 103.1 58.1 -76.2 -32.3 39.5 16.7 -11.2 94 114 A S H 3<5S+ 0 0 86 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.658 108.1 47.9 -71.4 -16.4 40.9 16.2 -7.6 95 115 A L T 3<5S- 0 0 83 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.505 124.9-102.3 -98.5 -10.4 37.4 15.3 -6.5 96 116 A G T < 5S+ 0 0 57 -3,-0.6 2,-0.9 -4,-0.3 3,-0.3 0.597 81.7 127.9 99.9 13.9 36.8 12.9 -9.3 97 117 A F < + 0 0 34 -5,-2.8 -3,-0.1 1,-0.2 -1,-0.1 -0.614 18.3 140.7-102.5 72.5 34.6 15.1 -11.6 98 118 A S + 0 0 92 -2,-0.9 -1,-0.2 1,-0.2 -5,-0.1 0.798 69.6 50.7 -83.1 -32.4 36.5 14.7 -14.9 99 119 A A S S+ 0 0 106 -3,-0.3 2,-0.2 2,-0.0 -1,-0.2 0.659 93.8 98.0 -78.5 -16.2 33.6 14.4 -17.3 100 120 A R S S- 0 0 37 -8,-0.1 3,-0.1 1,-0.1 22,-0.1 -0.485 79.1-115.4 -75.4 139.4 32.1 17.6 -15.7 101 121 A Q > - 0 0 105 -2,-0.2 3,-1.1 1,-0.1 2,-0.2 -0.184 37.9 -87.0 -69.8 165.6 32.7 21.0 -17.4 102 122 A E T 3 S+ 0 0 79 1,-0.2 -14,-0.2 -31,-0.0 -29,-0.1 -0.549 112.3 27.2 -77.6 137.1 34.7 23.8 -15.9 103 123 A G T 3 S+ 0 0 3 -16,-2.4 -31,-3.2 -2,-0.2 2,-0.9 0.181 83.7 129.0 99.2 -15.8 32.7 26.2 -13.6 104 124 A D B < -F 71 0B 2 -3,-1.1 -1,-0.2 -17,-0.3 -33,-0.2 -0.643 32.2-179.8 -79.0 105.1 30.2 23.5 -12.7 105 125 A L - 0 0 0 -35,-2.3 60,-3.0 -2,-0.9 61,-0.4 0.495 37.7-124.7 -83.4 -5.6 30.1 23.5 -8.9 106 126 A G - 0 0 0 -36,-0.2 2,-2.6 58,-0.2 -1,-0.3 -0.386 62.8 -22.5 88.9-172.8 27.5 20.8 -8.6 107 127 A P S S+ 0 0 0 0, 0.0 57,-0.1 0, 0.0 -1,-0.1 -0.310 89.6 152.8 -72.0 62.5 24.2 21.0 -6.7 108 128 A V >> - 0 0 2 -2,-2.6 3,-2.6 55,-0.1 4,-1.0 -0.276 60.2 -51.6 -86.5 175.5 25.2 23.9 -4.4 109 129 A Y H 3> S+ 0 0 9 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.536 130.7 50.4 -6.7 -71.2 23.2 26.6 -2.7 110 130 A G H 3> S+ 0 0 0 -41,-0.4 4,-1.5 1,-0.2 -1,-0.3 0.833 113.0 46.2 -50.0 -41.5 21.2 28.0 -5.7 111 131 A F H <> S+ 0 0 0 -3,-2.6 4,-3.2 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