==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-JAN-07 2E7F . COMPND 2 MOLECULE: 5-METHYLTETRAHYDROFOLATE CORRINOID/IRON SULFUR . SOURCE 2 ORGANISM_SCIENTIFIC: MOORELLA THERMOACETICA; . AUTHOR T.I.DOUKOV,C.L.DRENNAN,H.HEMMI,S.W.RAGSDALE . 526 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21051.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 406 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.3 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 0 1 1 0 2 2 0 1 6 5 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 3 9 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 26 0, 0.0 2,-0.6 0, 0.0 224,-0.2 0.000 360.0 360.0 360.0 121.5 6.8 75.0 122.9 2 2 A L E -a 225 0A 42 222,-2.8 224,-2.3 37,-0.1 2,-0.6 -0.861 360.0-154.6 -96.5 117.3 3.9 73.9 125.1 3 3 A I E -a 226 0A 1 -2,-0.6 37,-2.0 35,-0.4 38,-1.0 -0.842 3.8-161.0 -96.5 120.9 1.9 71.1 123.5 4 4 A I E -ab 227 41A 0 222,-2.5 224,-1.6 -2,-0.6 38,-0.3 -0.888 25.8-120.2-102.6 108.5 -1.7 70.9 124.8 5 5 A G E -ab 228 42A 0 36,-2.8 38,-3.0 -2,-0.7 3,-0.2 -0.227 24.9-169.0 -50.5 127.4 -3.1 67.4 124.1 6 6 A E + 0 0 13 222,-1.7 -1,-0.1 36,-0.1 223,-0.1 0.653 62.3 88.4 -92.9 -18.8 -6.2 67.8 121.8 7 7 A R + 0 0 43 221,-0.3 2,-2.5 1,-0.2 5,-0.2 0.701 63.8 78.6 -57.9 -31.9 -7.6 64.2 122.0 8 8 A I S S+ 0 0 0 35,-0.4 37,-2.1 -3,-0.2 2,-0.4 -0.446 70.5 129.6 -81.3 72.1 -9.9 64.5 125.1 9 9 A N B > -i 45 0B 4 -2,-2.5 3,-2.1 35,-0.2 6,-0.3 -0.991 65.1-132.2-130.7 132.3 -12.6 66.2 123.0 10 10 A G T 3 S+ 0 0 4 35,-2.2 6,-0.2 -2,-0.4 39,-0.1 0.602 99.7 75.3 -57.9 -15.0 -16.3 65.2 122.8 11 11 A M T 3 S+ 0 0 90 34,-0.1 2,-0.3 4,-0.1 -1,-0.3 0.746 80.3 86.1 -69.9 -23.5 -16.2 65.4 119.0 12 12 A F S X> S- 0 0 34 -3,-2.1 4,-2.7 -5,-0.2 3,-0.5 -0.636 85.2-129.7 -79.5 133.6 -14.3 62.1 119.0 13 13 A G H 3> S+ 0 0 50 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.872 104.4 49.3 -49.1 -49.1 -16.6 59.1 119.1 14 14 A D H 3> S+ 0 0 53 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.831 114.0 46.0 -64.2 -33.2 -14.9 57.3 122.0 15 15 A I H <> S+ 0 0 0 -3,-0.5 4,-2.9 -6,-0.3 5,-0.3 0.905 108.6 55.1 -75.8 -42.1 -14.9 60.4 124.2 16 16 A K H X S+ 0 0 107 -4,-2.7 4,-2.0 -7,-0.3 -2,-0.2 0.899 113.3 43.4 -56.0 -41.1 -18.5 61.3 123.4 17 17 A R H X S+ 0 0 131 -4,-1.9 4,-3.0 -5,-0.2 6,-0.3 0.898 110.8 53.9 -71.4 -43.2 -19.4 57.8 124.6 18 18 A A H X>S+ 0 0 0 -4,-1.9 5,-2.0 1,-0.2 4,-0.8 0.946 112.2 45.2 -56.0 -50.1 -17.2 57.9 127.7 19 19 A I H <5S+ 0 0 0 -4,-2.9 3,-0.3 3,-0.2 -1,-0.2 0.922 114.7 47.3 -60.0 -48.5 -18.8 61.1 128.8 20 20 A Q H <5S+ 0 0 112 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.929 122.8 33.3 -61.3 -47.9 -22.4 59.9 128.1 21 21 A E H <5S- 0 0 127 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.429 107.7-125.0 -88.7 0.1 -21.9 56.6 129.9 22 22 A R T <5 + 0 0 85 -4,-0.8 -3,-0.2 -3,-0.3 -4,-0.1 0.862 50.1 163.1 57.0 40.7 -19.5 58.2 132.4 23 23 A D >< - 0 0 48 -5,-2.0 4,-0.6 -6,-0.3 -1,-0.2 -0.828 22.3-168.7 -93.6 108.2 -16.8 55.6 131.6 24 24 A P H > + 0 0 46 0, 0.0 4,-2.9 0, 0.0 3,-0.4 0.796 70.0 79.8 -64.9 -35.3 -13.4 57.0 133.0 25 25 A A H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.865 91.1 45.9 -42.2 -60.7 -11.2 54.4 131.2 26 26 A P H > S+ 0 0 34 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.877 117.6 45.7 -55.1 -41.2 -11.1 55.9 127.7 27 27 A V H X S+ 0 0 0 -4,-0.6 4,-2.0 -3,-0.4 -2,-0.2 0.929 112.8 47.7 -68.3 -49.9 -10.4 59.4 129.1 28 28 A Q H X S+ 0 0 46 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.830 110.9 53.0 -63.4 -32.6 -7.7 58.4 131.6 29 29 A E H X S+ 0 0 97 -4,-2.3 4,-2.9 -5,-0.3 -1,-0.2 0.905 109.7 47.3 -69.8 -41.5 -6.0 56.3 128.9 30 30 A W H X S+ 0 0 39 -4,-1.6 4,-2.4 -5,-0.2 5,-0.2 0.840 109.3 54.9 -68.6 -31.4 -5.8 59.3 126.5 31 31 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.941 112.4 43.7 -64.9 -44.8 -4.6 61.5 129.3 32 32 A R H X S+ 0 0 116 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.954 114.1 48.3 -64.1 -52.9 -1.7 59.0 129.9 33 33 A R H X S+ 0 0 107 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.892 111.6 50.3 -57.0 -42.2 -0.9 58.5 126.2 34 34 A Q H X>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 4,-0.9 0.880 111.7 47.5 -66.1 -37.5 -0.8 62.2 125.5 35 35 A E H ><5S+ 0 0 71 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.908 109.0 53.9 -69.6 -40.0 1.5 62.9 128.4 36 36 A E H 3<5S+ 0 0 137 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.849 105.5 56.8 -61.1 -32.2 3.8 60.0 127.4 37 37 A G H 3<5S- 0 0 11 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.737 130.6 -88.4 -72.3 -24.8 3.9 61.7 124.0 38 38 A G T <<5S+ 0 0 2 -4,-0.9 -35,-0.4 -3,-0.8 -3,-0.2 0.426 75.7 144.5 130.2 2.7 5.2 65.0 125.3 39 39 A A < - 0 0 0 -5,-2.2 -1,-0.3 191,-0.1 -35,-0.2 -0.479 25.9-174.9 -72.0 141.9 2.1 67.0 126.2 40 40 A R S S+ 0 0 62 -37,-2.0 31,-1.4 1,-0.2 2,-0.3 0.273 73.0 35.4-118.1 6.5 2.4 69.2 129.3 41 41 A A E S-bc 4 71A 0 -38,-1.0 -36,-2.8 29,-0.2 2,-0.4 -0.973 71.3-141.6-153.6 154.1 -1.3 70.3 129.2 42 42 A L E -bc 5 72A 0 29,-2.9 31,-3.4 -2,-0.3 2,-0.3 -0.986 10.1-140.4-128.7 126.9 -4.5 68.6 128.3 43 43 A D E - c 0 73A 0 -38,-3.0 2,-0.5 -2,-0.4 -35,-0.4 -0.668 16.9-162.0 -81.7 135.0 -7.5 70.2 126.5 44 44 A L E + c 0 74A 0 29,-2.7 31,-1.9 -2,-0.3 2,-0.5 -0.918 17.2 165.8-125.1 104.8 -10.8 69.1 127.9 45 45 A N B -i 9 0B 29 -37,-2.1 -35,-2.2 -2,-0.5 31,-0.1 -0.977 24.4-159.2-119.9 124.2 -13.8 69.6 125.6 46 46 A V - 0 0 7 -2,-0.5 4,-0.4 29,-0.5 3,-0.2 0.694 38.3-133.4 -77.6 -16.5 -17.1 67.9 126.4 47 47 A G - 0 0 6 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 -0.070 22.6 -83.8 86.5 167.3 -18.5 68.2 122.9 48 48 A P S S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.581 112.1 72.3 -88.1 -8.9 -22.0 69.4 121.8 49 49 A A S S+ 0 0 65 -3,-0.2 -2,-0.1 -39,-0.1 -38,-0.0 0.899 74.4 84.1 -75.1 -43.5 -23.7 66.0 122.2 50 50 A V - 0 0 12 -4,-0.4 3,-0.2 1,-0.1 -30,-0.0 -0.317 69.6-142.2 -63.7 143.5 -24.0 65.6 126.0 51 51 A Q S S+ 0 0 183 1,-0.2 2,-1.3 2,-0.1 3,-0.2 0.984 89.8 45.4 -70.9 -61.6 -26.9 67.4 127.6 52 52 A D > + 0 0 81 1,-0.2 4,-1.6 2,-0.1 -1,-0.2 -0.713 64.0 170.6 -89.3 93.2 -25.5 68.6 130.9 53 53 A K H > S+ 0 0 60 -2,-1.3 4,-2.2 -3,-0.2 -1,-0.2 0.766 74.9 58.0 -73.1 -27.1 -22.2 70.2 129.8 54 54 A V H > S+ 0 0 40 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.947 111.0 41.7 -67.4 -48.3 -21.6 71.8 133.1 55 55 A S H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.836 112.9 56.0 -66.7 -34.0 -21.7 68.4 134.9 56 56 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.915 105.2 50.1 -65.4 -44.5 -19.7 66.8 132.0 57 57 A M H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.897 109.1 52.0 -61.6 -42.4 -16.8 69.3 132.3 58 58 A E H X S+ 0 0 55 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.905 111.3 48.5 -59.8 -42.7 -16.6 68.7 136.1 59 59 A W H X S+ 0 0 31 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.921 108.8 52.0 -64.6 -46.0 -16.4 64.9 135.4 60 60 A L H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.902 113.1 46.5 -57.6 -41.3 -13.7 65.4 132.7 61 61 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.949 113.2 47.5 -66.6 -50.4 -11.7 67.3 135.2 62 62 A E H X S+ 0 0 86 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.933 115.6 42.7 -58.8 -50.4 -12.1 64.9 138.1 63 63 A V H < S+ 0 0 13 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.815 116.4 50.3 -68.5 -28.7 -11.3 61.7 136.2 64 64 A T H >X S+ 0 0 0 -4,-1.5 3,-1.7 -5,-0.3 4,-0.8 0.952 107.3 49.0 -75.1 -50.8 -8.4 63.4 134.4 65 65 A Q H 3< S+ 0 0 27 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.562 99.3 71.6 -67.6 -5.1 -6.5 64.9 137.4 66 66 A E T 3< S+ 0 0 150 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.766 114.4 22.9 -78.4 -26.1 -6.8 61.5 139.0 67 67 A V T <4 S+ 0 0 32 -3,-1.7 2,-0.3 -4,-0.4 -2,-0.2 0.328 125.7 49.6-120.9 4.4 -4.3 60.1 136.6 68 68 A S < - 0 0 5 -4,-0.8 -1,-0.2 2,-0.1 -36,-0.0 -0.999 45.5-166.0-149.5 143.2 -2.4 63.3 135.6 69 69 A N + 0 0 117 -2,-0.3 3,-0.1 -3,-0.1 -4,-0.1 0.343 57.8 123.3-103.5 1.6 -0.8 66.3 137.1 70 70 A L S S- 0 0 19 1,-0.1 -29,-0.2 -29,-0.1 21,-0.1 -0.183 75.2 -86.8 -63.1 156.5 -0.7 68.1 133.8 71 71 A T E -c 41 0A 40 -31,-1.4 -29,-2.9 1,-0.1 2,-0.6 -0.394 41.6-132.0 -65.8 137.0 -2.3 71.5 133.3 72 72 A L E -cd 42 93A 7 20,-0.7 22,-3.1 -31,-0.2 2,-1.0 -0.842 11.6-158.9 -97.9 120.8 -6.0 71.3 132.4 73 73 A C E -cd 43 94A 0 -31,-3.4 -29,-2.7 -2,-0.6 2,-0.8 -0.806 13.6-149.9 -99.9 93.0 -7.1 73.5 129.4 74 74 A L E -cd 44 95A 0 20,-2.3 22,-3.1 -2,-1.0 2,-0.8 -0.527 14.2-165.9 -68.8 105.0 -10.9 73.8 130.0 75 75 A D E + d 0 96A 17 -31,-1.9 -29,-0.5 -2,-0.8 2,-0.3 -0.830 33.8 112.0-101.3 103.2 -12.3 74.2 126.4 76 76 A S - 0 0 13 20,-2.2 6,-0.0 -2,-0.8 -31,-0.0 -0.954 57.5-143.2-168.0 147.5 -15.9 75.4 126.3 77 77 A T S S+ 0 0 123 -2,-0.3 2,-0.8 4,-0.0 20,-0.1 0.483 82.5 94.6 -90.7 -5.5 -18.0 78.4 125.3 78 78 A N > - 0 0 58 1,-0.2 4,-2.0 -25,-0.0 3,-0.4 -0.796 61.0-164.0 -90.1 107.8 -20.3 77.8 128.3 79 79 A I H > S+ 0 0 42 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.835 88.1 56.7 -62.0 -34.1 -19.0 80.0 131.0 80 80 A K H > S+ 0 0 160 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.864 108.4 48.4 -65.8 -34.0 -20.9 78.2 133.8 81 81 A A H > S+ 0 0 0 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.897 111.0 50.2 -71.4 -40.7 -19.1 75.0 132.7 82 82 A I H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.959 112.5 46.7 -61.0 -51.0 -15.8 76.7 132.7 83 83 A E H X S+ 0 0 80 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.939 112.9 48.6 -57.8 -48.7 -16.4 78.1 136.2 84 84 A A H X S+ 0 0 11 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.869 112.0 51.1 -60.2 -36.3 -17.6 74.7 137.5 85 85 A G H >X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 3,-1.2 0.924 105.7 54.3 -67.1 -43.8 -14.5 73.1 135.9 86 86 A L H 3< S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.854 103.8 56.4 -58.9 -35.6 -12.1 75.6 137.5 87 87 A K H 3< S+ 0 0 141 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.698 108.2 47.6 -71.3 -18.6 -13.5 74.8 141.0 88 88 A K H << S+ 0 0 85 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.729 86.6 104.9 -92.8 -25.8 -12.7 71.1 140.5 89 89 A C < - 0 0 24 -4,-1.5 4,-0.1 1,-0.2 -27,-0.1 -0.299 50.1-166.6 -58.7 134.7 -9.2 71.5 139.3 90 90 A K S S+ 0 0 118 2,-0.1 2,-0.3 -28,-0.0 -1,-0.2 0.564 74.6 45.0 -96.6 -13.2 -6.5 70.7 141.9 91 91 A N S S- 0 0 72 -21,-0.1 -19,-0.1 1,-0.1 -21,-0.0 -0.813 106.1 -68.7-126.9 167.4 -3.8 72.4 139.8 92 92 A R - 0 0 106 -2,-0.3 -20,-0.7 1,-0.1 2,-0.2 -0.259 59.7-161.6 -52.4 135.7 -3.4 75.6 137.8 93 93 A A E -d 72 0A 4 22,-0.3 25,-2.5 -22,-0.2 2,-0.4 -0.602 17.3-126.8-119.0 179.0 -5.6 75.5 134.7 94 94 A M E -de 73 118A 4 -22,-3.1 -20,-2.3 23,-0.2 2,-0.6 -0.992 17.7-140.2-127.2 133.6 -6.1 77.2 131.3 95 95 A I E -de 74 119A 0 23,-2.2 25,-2.6 -2,-0.4 2,-0.5 -0.859 16.0-143.7 -98.7 120.0 -9.4 78.8 130.2 96 96 A N E +de 75 120A 10 -22,-3.1 -20,-2.2 -2,-0.6 25,-0.1 -0.878 61.9 17.7-124.9 99.0 -10.2 78.1 126.5 97 97 A S E + 0 0 25 23,-0.5 2,-0.3 -2,-0.5 -1,-0.3 0.608 38.0 139.6-159.9-166.8 -11.4 80.6 125.8 98 98 A T E - e 0 121A 2 22,-2.4 24,-3.1 -3,-0.2 2,-0.2 -0.878 28.0-154.2-128.2 159.6 -12.5 84.2 125.6 99 99 A N - 0 0 14 -2,-0.3 26,-0.2 22,-0.2 24,-0.1 -0.583 41.3 -85.6-121.5-171.2 -12.8 86.4 122.5 100 100 A A S S+ 0 0 6 24,-3.0 2,-0.3 22,-0.4 25,-0.2 0.431 83.1 124.2 -80.5 2.7 -12.7 90.2 122.1 101 101 A E >> - 0 0 54 23,-0.4 4,-2.7 1,-0.2 3,-0.7 -0.499 62.6-140.3 -63.7 123.6 -16.4 90.6 122.9 102 102 A R H 3> S+ 0 0 114 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.881 99.8 60.6 -53.1 -40.8 -16.5 93.0 125.8 103 103 A E H 34 S+ 0 0 136 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.876 112.2 37.0 -56.0 -41.6 -19.3 91.0 127.4 104 104 A K H X> S+ 0 0 57 -3,-0.7 4,-2.9 2,-0.1 3,-1.2 0.847 111.7 60.7 -80.4 -35.4 -17.1 87.9 127.6 105 105 A V H 3X S+ 0 0 7 -4,-2.7 4,-2.3 1,-0.3 -2,-0.2 0.935 102.3 50.1 -56.8 -50.6 -13.9 89.8 128.4 106 106 A E H 3< S+ 0 0 98 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.1 0.476 117.7 41.8 -71.3 -0.1 -15.3 91.3 131.6 107 107 A K H <> S+ 0 0 121 -3,-1.2 4,-1.0 -5,-0.2 -2,-0.2 0.756 119.6 38.0-108.7 -45.2 -16.4 87.8 132.8 108 108 A L H X S+ 0 0 4 -4,-2.9 4,-2.4 2,-0.2 -3,-0.2 0.805 111.5 54.7 -80.4 -33.5 -13.4 85.6 131.7 109 109 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.950 113.1 42.6 -67.4 -46.8 -10.5 87.9 132.5 110 110 A P H > S+ 0 0 42 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.863 114.5 53.3 -65.8 -31.8 -11.6 88.4 136.1 111 111 A L H X S+ 0 0 7 -4,-1.0 4,-1.5 2,-0.2 6,-0.2 0.895 109.5 47.5 -67.7 -40.6 -12.4 84.7 136.3 112 112 A A H X>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-0.8 0.921 113.9 47.1 -66.3 -44.1 -8.9 83.8 135.1 113 113 A V H ><5S+ 0 0 57 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.925 108.5 56.5 -62.8 -43.2 -7.3 86.2 137.6 114 114 A E H 3<5S+ 0 0 138 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.834 117.4 33.4 -56.9 -37.5 -9.5 84.9 140.3 115 115 A H H 3<5S- 0 0 63 -4,-1.5 -22,-0.3 -3,-0.2 -1,-0.3 0.392 105.7-122.2-101.5 2.1 -8.2 81.3 139.7 116 116 A G T <<5 + 0 0 36 -3,-0.8 -3,-0.2 -4,-0.8 2,-0.2 0.845 63.4 151.1 59.5 31.7 -4.7 82.3 138.7 117 117 A A < - 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0 0 3 -4,-1.2 -1,-0.2 2,-0.1 -36,-0.0 -0.994 46.2-167.9-139.2 139.1 20.3 68.2 82.1 332 69 B N + 0 0 120 -2,-0.4 -4,-0.1 -3,-0.1 3,-0.1 0.266 56.9 126.5-100.1 7.8 18.6 71.4 81.0 333 70 B L S S- 0 0 15 -6,-0.2 -29,-0.2 1,-0.1 21,-0.1 -0.299 74.1 -92.7 -69.4 149.9 18.6 72.7 84.6 334 71 B T E -m 304 0D 55 -31,-1.1 -29,-2.5 1,-0.1 2,-0.5 -0.379 43.1-134.4 -60.0 133.5 20.0 76.0 85.7 335 72 B L E -mn 305 356D 3 20,-0.7 22,-2.5 -31,-0.2 2,-0.9 -0.852 10.0-154.5 -99.5 125.1 23.7 75.4 86.7 336 73 B C E -mn 306 357D 0 -31,-3.3 -29,-3.0 -2,-0.5 2,-0.9 -0.843 13.0-148.3-100.2 99.3 24.8 77.0 90.0 337 74 B L E -mn 307 358D 0 20,-2.7 22,-3.0 -2,-0.9 2,-0.8 -0.587 12.8-165.3 -75.7 105.0 28.6 77.5 89.7 338 75 B D E + n 0 359D 17 -31,-2.3 -29,-0.4 -2,-0.9 2,-0.3 -0.794 34.2 117.2 -97.1 99.5 30.0 77.2 93.2 339 76 B S - 0 0 16 20,-2.3 6,-0.0 -2,-0.8 -31,-0.0 -0.974 55.3-148.3-163.1 147.7 33.6 78.4 93.4 340 77 B T S S+ 0 0 124 -2,-0.3 2,-0.8 1,-0.0 20,-0.1 0.531 81.7 92.5 -90.8 -10.1 35.8 81.1 95.1 341 78 B N > - 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0 0 15 -3,-2.5 3,-0.4 -215,-0.0 2,-0.3 -0.518 65.0-111.9-100.1 171.0 24.4 66.8 114.5 468 205 B Q S S+ 0 0 97 1,-0.2 5,-0.1 -2,-0.2 -216,-0.1 -0.811 98.7 24.6-102.6 146.2 22.2 63.8 115.1 469 206 B N S > S+ 0 0 68 -2,-0.3 4,-1.9 3,-0.1 3,-0.3 0.934 75.8 174.9 66.9 46.8 18.9 63.5 113.2 470 207 B R H > S+ 0 0 66 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 0.864 70.5 53.1 -54.4 -45.0 20.3 65.6 110.4 471 208 B P H > S+ 0 0 64 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.918 109.5 50.1 -60.1 -40.6 17.3 65.2 108.0 472 209 B L H > S+ 0 0 8 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.910 112.0 46.4 -62.2 -45.5 14.9 66.4 110.7 473 210 B I H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.916 112.6 51.8 -64.3 -43.0 16.9 69.5 111.6 474 211 B N H X S+ 0 0 11 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.955 114.1 40.0 -59.8 -54.6 17.3 70.3 107.9 475 212 B R H X S+ 0 0 47 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.814 113.0 55.0 -68.5 -30.5 13.6 70.2 107.0 476 213 B T H X S+ 0 0 4 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.942 111.4 44.6 -67.5 -44.3 12.5 71.8 110.2 477 214 B F H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.869 108.3 57.9 -67.0 -35.9 14.7 74.8 109.6 478 215 B L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.929 107.6 47.3 -59.0 -46.0 13.7 75.0 105.9 479 216 B A H X S+ 0 0 1 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.937 113.1 48.4 -59.4 -48.9 10.1 75.4 106.9 480 217 B M H X S+ 0 0 0 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.905 112.6 48.5 -58.4 -44.0 11.0 78.1 109.5 481 218 B A H ><>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.2 3,-0.6 0.870 107.5 54.6 -66.2 -38.0 13.1 79.9 106.9 482 219 B M H ><5S+ 0 0 1 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.862 102.7 56.4 -65.1 -34.2 10.4 79.8 104.3 483 220 B A H 3<5S+ 0 0 15 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.757 108.0 51.1 -66.7 -22.0 8.0 81.5 106.8 484 221 B C T <<5S- 0 0 10 -4,-0.7 -37,-0.3 -3,-0.6 -1,-0.3 0.253 134.4 -89.9 -98.1 10.6 10.7 84.1 106.9 485 222 B G T < 5 + 0 0 15 -3,-1.8 -29,-0.3 1,-0.2 -3,-0.2 0.439 61.0 169.5 101.4 -0.5 10.8 84.5 103.1 486 223 B L < - 0 0 2 -5,-2.4 -1,-0.2 1,-0.1 -29,-0.1 -0.183 8.9-177.2 -49.0 130.6 13.4 82.0 102.0 487 224 B D + 0 0 48 -31,-1.3 -222,-2.6 1,-0.3 2,-0.3 0.723 61.4 10.4-102.7 -29.6 13.2 81.7 98.1 488 225 B A E -kr 265 457D 0 -32,-1.8 -30,-0.6 -224,-0.2 2,-0.3 -0.956 58.1-163.0-146.9 163.6 15.8 79.0 97.4 489 226 B A E -kr 266 458D 0 -224,-2.2 -222,-3.2 -2,-0.3 2,-0.9 -0.971 21.3-138.6-154.6 135.4 18.0 76.5 99.1 490 227 B I E +kr 267 459D 2 -32,-3.1 -30,-0.8 -2,-0.3 -29,-0.7 -0.866 59.9 128.2 -91.1 110.1 21.0 74.5 98.3 491 228 B A E -k 268 0D 0 -224,-1.4 -222,-1.7 -2,-0.9 2,-1.3 -0.845 68.0 -56.6-150.2-173.4 20.0 71.2 99.8 492 229 B D > - 0 0 62 -2,-0.2 3,-1.7 -224,-0.2 7,-0.2 -0.630 41.9-175.0 -78.6 94.5 19.6 67.5 99.4 493 230 B A T 3 S+ 0 0 0 -2,-1.3 -1,-0.2 1,-0.3 -191,-0.2 0.628 82.3 59.5 -66.4 -12.6 17.2 67.2 96.5 494 231 B C T 3 S+ 0 0 40 -193,-0.1 2,-1.1 -3,-0.1 -1,-0.3 0.443 77.0 100.4 -95.6 -1.3 17.1 63.5 97.0 495 232 B D <> - 0 0 28 -3,-1.7 4,-2.1 1,-0.2 3,-0.4 -0.757 58.6-164.3 -85.7 101.2 15.7 63.7 100.5 496 233 B E H > S+ 0 0 139 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.848 86.1 53.6 -56.3 -38.7 12.0 63.0 100.0 497 234 B A H > S+ 0 0 25 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.856 107.4 52.1 -67.3 -34.0 11.0 64.4 103.4 498 235 B L H > S+ 0 0 1 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.952 110.2 47.9 -65.7 -47.6 12.8 67.6 102.7 499 236 B I H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.881 107.9 56.0 -59.3 -40.5 11.0 68.0 99.4 500 237 B E H X S+ 0 0 54 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.919 108.5 47.9 -57.2 -46.0 7.7 67.3 101.1 501 238 B T H X S+ 0 0 7 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.925 110.6 50.5 -61.8 -47.0 8.3 70.1 103.5 502 239 B A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.943 113.2 46.6 -56.5 -48.4 9.2 72.5 100.7 503 240 B A H X S+ 0 0 2 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.904 114.5 46.9 -61.2 -42.7 6.0 71.6 98.9 504 241 B T H X S+ 0 0 1 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.869 107.2 56.5 -69.2 -38.0 3.9 72.0 102.0 505 242 B A H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 5,-0.2 0.928 102.4 55.4 -61.0 -45.2 5.5 75.3 103.0 506 243 B E H <>S+ 0 0 5 -4,-1.8 5,-3.0 1,-0.2 6,-1.1 0.874 109.3 48.4 -54.2 -40.0 4.5 76.9 99.7 507 244 B I H ><5S+ 0 0 5 -4,-1.1 3,-1.6 1,-0.2 -1,-0.2 0.942 110.2 49.9 -66.0 -48.0 0.9 75.9 100.3 508 245 B L H 3<5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.686 111.2 49.3 -66.5 -19.6 0.9 77.3 103.9 509 246 B L T 3<5S- 0 0 29 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.368 112.9-122.2 -97.4 2.2 2.3 80.6 102.6 510 247 B N T < 5S+ 0 0 67 -3,-1.6 -3,-0.2 2,-0.2 3,-0.1 0.833 77.6 125.6 59.3 36.0 -0.4 80.6 99.9 511 248 B Q S - 0 0 51 -2,-0.1 3,-1.7 -310,-0.1 4,-0.1 -0.948 53.0-107.6-152.7 154.4 -4.6 70.5 95.8 516 253 B D T 3 S+ 0 0 82 1,-0.3 3,-0.4 -2,-0.3 -2,-0.0 0.841 119.6 50.2 -55.4 -33.8 -4.5 66.9 97.2 517 254 B S T 3> + 0 0 59 1,-0.2 4,-3.0 2,-0.1 -1,-0.3 -0.046 69.9 132.8 -94.8 32.6 -1.4 66.1 95.0 518 255 B F H <> S+ 0 0 11 -3,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.822 70.2 52.0 -55.4 -32.2 0.5 69.2 96.1 519 256 B V H >> S+ 0 0 34 -3,-0.4 4,-2.0 2,-0.2 3,-0.5 0.985 113.9 40.1 -69.2 -56.1 3.7 67.1 96.7 520 257 B K H 3> S+ 0 0 146 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.893 113.7 57.6 -57.7 -39.0 3.8 65.4 93.3 521 258 B M H 3< S+ 0 0 102 -4,-3.0 4,-0.4 1,-0.2 -1,-0.2 0.851 105.9 48.9 -60.0 -36.1 2.8 68.7 91.8 522 259 B F H << S+ 0 0 8 -4,-1.5 3,-0.4 -3,-0.5 -1,-0.2 0.914 114.5 45.2 -68.9 -43.3 5.8 70.4 93.3 523 260 B K H < S+ 0 0 43 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.868 118.7 39.6 -68.7 -41.0 8.2 67.7 92.0 524 261 B T < 0 0 103 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.370 360.0 360.0 -91.6 3.7 6.8 67.4 88.5 525 262 B R 0 0 148 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.1 0.866 360.0 360.0 -51.1 360.0 6.3 71.1 88.2 526 !* 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 0.0 527 3000 A X 0 0 80 0, 0.0 -520,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 -11.1 65.0 113.8 528 !* 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 0.0 529 4000 B X 0 0 113 0, 0.0 -63,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 29.0 66.5 104.5