==== 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 1RTS . 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. . 565 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22484.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 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 . 2 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 . 66 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 2 0 4 0 0 0 2 2 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 4 2 0 0 0 2 0 0 2 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 2 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,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -49.8 113.6 -27.4 49.2 2 22 A H > - 0 0 44 1,-0.1 3,-1.2 245,-0.1 4,-0.3 -0.443 360.0-134.0 -67.5 135.9 110.0 -26.2 49.3 3 23 A G T >> S+ 0 0 14 1,-0.2 3,-1.6 -2,-0.2 4,-0.5 0.839 100.3 62.2 -57.1 -39.3 108.5 -25.5 45.9 4 24 A E H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 3,-0.4 0.767 83.0 79.8 -61.3 -25.5 106.9 -22.2 46.7 5 25 A L H <> S+ 0 0 50 -3,-1.2 4,-2.9 1,-0.2 -1,-0.3 0.801 87.7 59.3 -53.5 -28.3 110.4 -20.7 47.5 6 26 A Q H <> S+ 0 0 56 -3,-1.6 4,-1.5 -4,-0.3 -1,-0.2 0.953 105.9 44.9 -64.5 -52.5 110.8 -20.3 43.7 7 27 A Y H X S+ 0 0 2 -4,-0.5 4,-2.0 -3,-0.4 -2,-0.2 0.860 114.8 50.5 -59.9 -37.8 107.8 -18.1 43.4 8 28 A L H X S+ 0 0 11 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.944 107.7 51.4 -67.1 -45.3 108.9 -16.2 46.5 9 29 A R H X S+ 0 0 142 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.768 109.4 53.0 -61.8 -27.3 112.5 -15.7 45.1 10 30 A Q H X S+ 0 0 15 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.958 109.7 45.1 -72.6 -51.4 110.9 -14.3 41.9 11 31 A V H X S+ 0 0 1 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.917 113.2 52.9 -56.6 -42.8 108.8 -11.7 43.7 12 32 A E H X S+ 0 0 66 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.905 111.0 47.3 -59.1 -41.8 111.9 -10.9 45.8 13 33 A H H X S+ 0 0 84 -4,-1.6 4,-3.3 1,-0.2 5,-0.4 0.892 106.1 55.6 -68.7 -43.7 113.8 -10.4 42.6 14 34 A I H X S+ 0 0 0 -4,-2.8 4,-0.9 2,-0.2 -1,-0.2 0.817 113.5 43.3 -59.7 -31.6 111.2 -8.2 40.9 15 35 A M H < S+ 0 0 44 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.963 117.5 44.4 -76.1 -54.2 111.4 -5.9 43.8 16 36 A R H < S+ 0 0 175 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.869 135.0 11.2 -57.8 -45.5 115.1 -5.9 44.2 17 37 A C H < S+ 0 0 64 -4,-3.3 -1,-0.2 -5,-0.1 -3,-0.2 0.334 94.7 116.8-121.8 6.2 116.0 -5.5 40.5 18 38 A G < - 0 0 19 -4,-0.9 2,-0.4 -5,-0.4 14,-0.2 -0.126 55.6-129.1 -69.4 172.6 112.8 -4.6 38.6 19 39 A F E -A 31 0A 100 12,-1.7 12,-2.3 2,-0.0 2,-0.2 -0.950 26.0-103.0-123.3 144.1 112.3 -1.4 36.7 20 40 A K E +A 30 0A 112 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.509 48.5 177.2 -65.8 130.7 109.4 1.0 37.0 21 41 A K E -A 29 0A 5 8,-1.9 8,-2.2 -2,-0.2 438,-0.1 -0.994 27.6-114.3-140.3 132.3 107.2 0.4 34.0 22 42 A E - 0 0 73 -2,-0.4 2,-0.2 6,-0.2 8,-0.0 -0.190 28.0-134.1 -63.7 157.0 103.9 2.0 33.1 23 43 A D - 0 0 15 1,-0.1 405,-0.1 406,-0.0 -1,-0.1 -0.520 24.9-107.7-105.7 172.7 100.6 -0.0 32.9 24 44 A R S S+ 0 0 144 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.655 127.7 37.6 -72.7 -19.1 97.8 -0.1 30.3 25 45 A T S S- 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.549 118.7-113.0-104.2 -17.1 95.7 1.8 33.0 26 46 A G S S+ 0 0 42 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 0.655 77.8 129.2 91.2 19.5 98.6 3.9 34.2 27 47 A T - 0 0 64 1,-0.0 206,-0.1 -5,-0.0 -5,-0.1 0.854 63.0-130.2 -73.7 -35.4 98.8 2.3 37.6 28 48 A G - 0 0 0 204,-0.1 205,-2.1 205,-0.1 206,-0.3 0.350 26.3-163.3 91.7 136.4 102.5 1.6 37.4 29 49 A T E -AB 21 232A 0 -8,-2.2 -8,-1.9 203,-0.3 2,-0.5 -0.782 23.1-119.8-141.2 178.9 104.4 -1.6 38.1 30 50 A L E -AB 20 231A 28 201,-1.7 201,-1.6 -2,-0.2 2,-0.3 -0.999 45.7-175.8-123.7 120.1 107.9 -3.0 38.8 31 51 A S E -AB 19 230A 1 -12,-2.3 -12,-1.7 -2,-0.5 2,-0.3 -0.879 31.3-171.2-132.3 163.0 108.9 -5.5 36.1 32 52 A V E - B 0 229A 17 197,-1.8 197,-2.6 -2,-0.3 2,-0.5 -0.972 27.0-133.4-138.5 138.1 111.4 -8.0 34.9 33 53 A F E S+ B 0 228A 7 -2,-0.3 195,-0.2 195,-0.2 194,-0.2 -0.900 73.3 14.4-103.7 124.4 111.2 -9.6 31.4 34 54 A G E + 0 0 2 193,-3.2 2,-0.3 -2,-0.5 193,-0.2 0.776 67.9 161.7 82.4 107.3 111.6 -13.4 31.1 35 55 A M E - B 0 226A 15 191,-1.5 191,-2.6 -3,-0.1 2,-0.3 -0.939 14.7-164.3-147.4 167.0 111.5 -15.7 34.1 36 56 A Q E - B 0 225A 52 -2,-0.3 2,-0.3 189,-0.2 189,-0.2 -0.937 7.3-178.6-163.9 137.5 111.0 -19.4 34.8 37 57 A A E - B 0 224A 2 187,-1.4 187,-3.2 -2,-0.3 2,-0.6 -0.981 19.0-142.0-137.3 146.7 110.1 -21.8 37.7 38 58 A R E - B 0 223A 81 -2,-0.3 2,-0.5 185,-0.2 185,-0.2 -0.912 17.0-169.8-113.0 106.7 109.8 -25.5 37.9 39 59 A Y E - B 0 222A 3 183,-2.8 183,-2.5 -2,-0.6 2,-0.2 -0.837 19.8-131.4 -99.1 124.5 107.0 -26.8 40.1 40 60 A S E - B 0 221A 37 -2,-0.5 181,-0.2 181,-0.2 180,-0.1 -0.518 17.5-171.3 -74.0 141.0 107.0 -30.5 40.9 41 61 A L > + 0 0 1 179,-3.0 2,-0.9 -2,-0.2 3,-0.6 0.302 48.0 120.3-111.3 5.4 103.7 -32.3 40.5 42 62 A R T 3 S- 0 0 86 178,-0.4 3,-0.1 1,-0.2 178,-0.1 -0.627 96.3 -26.7 -80.6 104.1 104.9 -35.5 42.0 43 63 A D T 3 S+ 0 0 125 -2,-0.9 2,-0.3 1,-0.1 -1,-0.2 0.741 128.2 65.5 64.8 28.5 102.9 -36.4 45.1 44 64 A E S < S- 0 0 54 -3,-0.6 208,-0.3 209,-0.1 -1,-0.1 -0.965 71.7-127.4-168.3 158.0 101.9 -32.8 45.8 45 65 A F - 0 0 0 206,-2.3 2,-2.4 -2,-0.3 -4,-0.1 -0.977 21.0-129.4-121.4 126.9 99.9 -29.9 44.3 46 66 A P + 0 0 0 0, 0.0 2,-1.0 0, 0.0 159,-0.1 -0.240 51.8 144.9 -68.6 52.4 101.4 -26.4 43.8 47 67 A L - 0 0 0 -2,-2.4 -2,-0.1 204,-0.1 -43,-0.1 -0.842 56.3-118.7 -93.7 105.0 98.6 -24.4 45.6 48 68 A L - 0 0 2 -2,-1.0 5,-0.4 150,-0.3 -1,-0.0 -0.079 26.2-165.8 -48.0 140.5 100.6 -21.6 47.2 49 69 A T S S+ 0 0 0 199,-0.1 229,-2.6 228,-0.1 3,-0.1 0.563 73.0 75.5-108.2 -14.4 100.5 -21.4 50.9 50 70 A T S S+ 0 0 0 1,-0.2 2,-0.3 227,-0.2 195,-0.1 0.614 115.9 16.7 -74.1 -9.8 101.9 -18.0 51.9 51 71 A K S S- 0 0 93 229,-0.1 -1,-0.2 194,-0.0 2,-0.1 -0.945 96.7 -99.9-158.3 136.4 98.6 -16.5 50.7 52 72 A R - 0 0 156 227,-0.8 2,-0.4 226,-0.4 -3,-0.1 -0.404 34.0-145.6 -64.7 133.4 95.3 -18.3 50.1 53 73 A V - 0 0 12 -5,-0.4 2,-2.7 -2,-0.1 3,-0.2 -0.822 22.6-115.0-100.7 140.5 94.5 -19.1 46.5 54 74 A F >> + 0 0 62 -2,-0.4 4,-1.5 1,-0.2 3,-1.1 -0.389 47.1 167.6 -72.0 68.5 91.0 -19.1 45.1 55 75 A W H 3> + 0 0 40 -2,-2.7 4,-2.0 1,-0.3 5,-0.2 0.829 69.3 57.6 -54.5 -42.0 90.9 -22.8 44.4 56 76 A K H 3> S+ 0 0 99 1,-0.2 4,-1.7 -3,-0.2 -1,-0.3 0.822 109.3 49.8 -60.5 -28.1 87.2 -23.1 43.8 57 77 A G H <> S+ 0 0 0 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.852 106.4 51.7 -78.5 -37.7 87.7 -20.5 41.1 58 78 A V H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.868 113.7 46.5 -67.2 -34.6 90.6 -22.2 39.4 59 79 A L H X S+ 0 0 6 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.914 113.7 44.9 -73.6 -47.0 88.6 -25.5 39.2 60 80 A E H X S+ 0 0 26 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.891 114.4 50.8 -65.3 -38.5 85.3 -24.0 37.9 61 81 A E H X S+ 0 0 7 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.926 109.0 50.4 -65.1 -45.7 87.2 -21.9 35.4 62 82 A L H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.925 111.4 47.0 -60.6 -45.1 89.2 -24.8 34.0 63 83 A L H X S+ 0 0 25 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.923 110.5 54.5 -61.7 -40.5 86.1 -26.9 33.5 64 84 A W H <>S+ 0 0 4 -4,-2.1 5,-1.7 2,-0.2 4,-0.3 0.874 109.2 48.3 -58.6 -40.5 84.4 -23.9 31.9 65 85 A F H ><5S+ 0 0 7 -4,-2.2 3,-2.5 1,-0.2 -2,-0.2 0.969 110.7 49.2 -62.9 -56.0 87.4 -23.7 29.5 66 86 A I H 3<5S+ 0 0 7 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.822 104.9 59.0 -52.0 -38.0 87.2 -27.5 28.7 67 87 A K T 3<5S- 0 0 111 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.599 113.2-124.8 -69.4 -12.3 83.5 -27.1 28.1 68 88 A G T < 5 + 0 0 19 -3,-2.5 -3,-0.2 -4,-0.3 -2,-0.1 0.665 53.9 155.8 75.8 20.1 84.5 -24.5 25.4 69 89 A S < - 0 0 12 -5,-1.7 41,-0.4 1,-0.1 -1,-0.2 -0.433 31.1-179.9 -81.9 152.2 82.4 -21.6 26.7 70 90 A T + 0 0 5 53,-0.2 35,-2.2 40,-0.2 2,-0.6 0.145 54.1 106.7-129.8 10.3 83.1 -18.0 26.1 71 91 A N B > -F 104 0B 21 33,-0.2 3,-0.7 52,-0.2 4,-0.5 -0.863 56.1-157.8 -96.9 119.2 80.1 -16.7 28.1 72 92 A A T >> S+ 0 0 2 31,-2.9 4,-2.0 -2,-0.6 3,-0.9 0.790 89.8 65.1 -65.4 -30.1 81.2 -15.1 31.5 73 93 A K H 3> S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.848 93.5 60.4 -62.3 -34.0 77.7 -15.7 32.9 74 94 A E H <4 S+ 0 0 73 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.718 112.7 37.7 -66.2 -25.1 78.1 -19.5 32.7 75 95 A L H <4>S+ 0 0 2 -3,-0.9 5,-1.3 -4,-0.5 3,-0.5 0.708 113.0 57.2 -94.7 -30.1 81.2 -19.3 35.0 76 96 A S H ><5S+ 0 0 23 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.865 98.6 60.8 -68.3 -36.4 79.6 -16.5 37.2 77 97 A S T 3<5S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.724 97.0 60.3 -63.7 -23.2 76.6 -18.8 37.9 78 98 A K T 3 5S- 0 0 89 -3,-0.5 -1,-0.3 2,-0.2 -2,-0.2 0.423 127.6 -98.7 -84.1 0.5 79.0 -21.3 39.5 79 99 A G T < 5S+ 0 0 21 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.719 89.0 121.4 89.2 22.9 80.0 -18.6 42.0 80 100 A V < + 0 0 1 -5,-1.3 3,-0.4 1,-0.1 -2,-0.2 -0.935 32.0 175.8-122.2 103.2 83.2 -17.6 40.3 81 101 A R > + 0 0 154 -2,-0.5 3,-2.5 1,-0.2 4,-0.5 0.517 45.6 109.0 -85.2 -7.7 83.1 -13.8 39.5 82 102 A I T 3 S+ 0 0 16 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.762 84.0 38.4 -42.0 -43.3 86.6 -13.4 38.0 83 103 A W T 3 S+ 0 0 28 -3,-0.4 -1,-0.3 1,-0.2 -11,-0.1 0.309 91.6 91.9 -96.4 12.0 85.6 -12.9 34.4 84 104 A D S X> S+ 0 0 48 -3,-2.5 3,-1.8 1,-0.2 4,-0.8 0.892 78.1 58.1 -70.6 -43.1 82.5 -10.8 35.0 85 105 A A G >4 S+ 0 0 69 -4,-0.5 3,-1.0 -3,-0.3 6,-0.3 0.900 104.8 51.5 -53.2 -46.6 84.2 -7.4 34.8 86 106 A N G 34 S+ 0 0 23 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.478 110.6 52.2 -70.9 -3.2 85.4 -8.1 31.3 87 107 A G G <4 S+ 0 0 4 -3,-1.8 16,-2.3 -4,-0.1 17,-0.3 0.550 81.0 118.0-110.1 -9.8 81.9 -9.0 30.3 88 108 A S S S+ 0 0 82 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.826 114.6 51.7 -65.1 -32.4 78.0 -3.8 29.2 90 110 A D H > S+ 0 0 134 2,-0.2 4,-1.7 1,-0.1 3,-0.3 0.953 112.3 42.1 -70.5 -50.9 80.2 -0.8 30.1 91 111 A F H 4 S+ 0 0 62 -6,-0.3 4,-0.2 1,-0.2 -2,-0.2 0.915 111.7 53.6 -64.0 -46.5 83.6 -2.6 29.4 92 112 A L H <>S+ 0 0 0 -4,-2.3 5,-1.2 1,-0.2 3,-0.4 0.759 111.6 48.7 -59.7 -26.4 82.5 -4.3 26.2 93 113 A D H ><5S+ 0 0 57 -4,-0.7 3,-2.0 -3,-0.3 -1,-0.2 0.831 97.4 65.2 -82.6 -34.8 81.4 -0.9 24.9 94 114 A S T 3<5S+ 0 0 87 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.457 109.0 44.6 -67.6 2.0 84.7 0.9 25.9 95 115 A L T 3 5S- 0 0 78 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.2 0.292 123.2-102.6-123.5 -1.5 86.2 -1.4 23.3 96 116 A G T < 5S+ 0 0 52 -3,-2.0 2,-2.3 1,-0.2 3,-0.3 0.140 80.9 127.3 101.7 -22.0 83.6 -1.1 20.5 97 117 A F < + 0 0 32 -5,-1.2 -1,-0.2 1,-0.2 -3,-0.1 -0.478 23.8 147.3 -73.3 79.5 81.6 -4.3 21.0 98 118 A S S S+ 0 0 75 -2,-2.3 -1,-0.2 1,-0.2 -5,-0.1 0.855 70.5 42.8 -82.9 -42.1 78.2 -2.6 21.2 99 119 A A S S+ 0 0 108 -3,-0.3 2,-0.4 2,-0.1 -1,-0.2 0.600 91.3 106.0 -80.4 -12.7 76.0 -5.2 19.6 100 120 A R S S- 0 0 28 -8,-0.1 3,-0.1 -4,-0.1 22,-0.1 -0.577 76.5-122.0 -70.9 122.9 77.9 -7.9 21.5 101 121 A Q > - 0 0 127 -2,-0.4 3,-1.7 1,-0.1 22,-0.1 -0.127 35.1 -77.5 -64.4 160.1 75.7 -9.2 24.3 102 122 A E T 3 S+ 0 0 88 1,-0.2 -14,-0.2 -31,-0.1 -1,-0.1 -0.297 118.0 17.9 -58.0 136.3 76.5 -9.1 28.1 103 123 A G T 3 S+ 0 0 4 -16,-2.3 -31,-2.9 1,-0.2 2,-1.4 0.166 85.3 131.6 87.8 -20.1 78.9 -11.8 29.2 104 124 A D B < +F 71 0B 3 -3,-1.7 -33,-0.2 -17,-0.3 -1,-0.2 -0.532 30.4 179.0 -72.1 92.6 80.1 -12.5 25.6 105 125 A L - 0 0 8 -35,-2.2 60,-1.5 -2,-1.4 61,-0.4 0.572 35.7-129.0 -71.5 -12.1 83.9 -12.5 26.1 106 126 A G - 0 0 0 -36,-0.3 2,-2.6 58,-0.2 -1,-0.2 -0.404 60.3 -18.7 90.3-172.1 84.6 -13.2 22.4 107 127 A P S S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 57,-0.1 -0.355 89.6 150.6 -70.5 69.1 86.8 -16.0 21.0 108 128 A V >> - 0 0 20 -2,-2.6 4,-2.4 55,-0.1 3,-0.8 0.056 63.6 -56.1 -85.6-163.9 88.8 -16.6 24.3 109 129 A Y H 3> S+ 0 0 16 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.873 131.6 55.7 -43.1 -54.5 90.5 -19.7 25.7 110 130 A G H 3> S+ 0 0 0 -41,-0.4 4,-0.8 1,-0.2 -1,-0.2 0.875 114.7 39.4 -49.6 -42.7 87.4 -21.9 25.5 111 131 A F H <> S+ 0 0 2 -3,-0.8 4,-2.9 -5,-0.2 -1,-0.2 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284 B D G < S+ 0 0 47 -3,-1.1 -1,-0.2 2,-0.0 2,-0.2 0.561 73.3 113.1 -71.1 -9.0 115.0 -2.3 3.4 546 285 B F < - 0 0 11 -3,-1.0 2,-0.3 -4,-0.3 -55,-0.0 -0.443 43.3-178.7 -70.5 134.3 117.8 -4.4 5.1 547 286 B K > - 0 0 89 -2,-0.2 3,-2.0 1,-0.0 4,-0.3 -0.906 40.5-107.0-129.5 159.2 120.4 -5.9 2.8 548 287 B V G > S+ 0 0 50 -2,-0.3 3,-1.3 1,-0.3 -2,-0.0 0.782 114.7 63.2 -56.2 -31.9 123.4 -8.2 3.5 549 288 B E G 3 S+ 0 0 133 1,-0.2 -1,-0.3 -13,-0.0 -12,-0.1 0.614 91.3 68.7 -70.3 -12.4 125.9 -5.4 2.9 550 289 B D G < S+ 0 0 8 -3,-2.0 -13,-2.5 -14,-0.1 -12,-0.4 0.653 89.7 74.6 -80.9 -16.8 124.5 -3.5 5.8 551 290 B F E < +P 536 0H 14 -3,-1.3 2,-0.4 -4,-0.3 -15,-0.2 -0.813 53.7 179.8-106.8 143.4 125.8 -5.9 8.4 552 291 B Q E -P 535 0H 91 -17,-2.1 -17,-3.4 -2,-0.4 2,-0.6 -0.978 16.3-152.0-142.0 119.9 129.3 -6.4 9.7 553 292 B I E -P 534 0H 30 -2,-0.4 2,-0.5 -19,-0.2 3,-0.3 -0.851 20.6-162.2 -94.5 117.8 130.5 -8.9 12.3 554 293 B E E +P 533 0H 78 -21,-2.8 -21,-1.6 -2,-0.6 3,-0.1 -0.890 62.4 0.7-107.8 128.7 133.6 -7.6 14.1 555 294 B G + 0 0 61 -2,-0.5 2,-1.6 1,-0.2 -1,-0.2 0.731 70.0 163.7 75.4 24.2 136.1 -9.6 16.1 556 295 B Y + 0 0 36 -3,-0.3 -1,-0.2 -23,-0.1 -25,-0.1 -0.596 6.9 163.6 -78.9 91.1 134.4 -13.0 15.6 557 296 B N + 0 0 94 -2,-1.6 -28,-0.1 -27,-0.4 -1,-0.1 -0.794 11.7 171.3-113.2 86.3 137.4 -15.2 16.7 558 297 B P - 0 0 13 0, 0.0 -227,-0.2 0, 0.0 -228,-0.1 -0.267 37.0 -97.6 -89.7 175.3 136.0 -18.7 17.4 559 298 B H - 0 0 28 -229,-2.4 -226,-0.4 1,-0.2 -36,-0.0 -0.509 66.3 -64.4 -83.9 162.4 137.7 -22.1 18.2 560 299 B P - 0 0 91 0, 0.0 -227,-0.2 0, 0.0 -1,-0.2 0.007 66.3 -95.6 -47.3 147.4 138.1 -24.5 15.2 561 300 B T - 0 0 81 -229,-0.2 2,-0.4 -3,-0.1 -227,-0.1 -0.190 32.3-146.6 -65.1 163.8 134.8 -25.9 13.7 562 301 B I - 0 0 27 -229,-0.3 2,-0.4 2,-0.0 -1,-0.0 -0.991 8.6-134.1-138.4 128.5 133.1 -29.2 14.6 563 302 B K 0 0 192 -2,-0.4 0, 0.0 5,-0.0 0, 0.0 -0.664 360.0 360.0 -85.1 133.4 131.1 -31.5 12.3 564 303 B M 0 0 63 -2,-0.4 -2,-0.0 -45,-0.0 -48,-0.0 -0.993 360.0 360.0-140.9 360.0 127.8 -32.9 13.6 565 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 566 309 A X 0 0 206 0, 0.0 -370,-0.1 0, 0.0 -513,-0.0 0.000 360.0 360.0 360.0 360.0 89.9 -12.7 44.5 567 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 568 409 B X 0 0 202 0, 0.0 -234,-0.0 0, 0.0 -92,-0.0 0.000 360.0 360.0 360.0 360.0 126.5 -26.7 8.7