==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-JAN-07 2OGY . 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) . 20965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 404 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 13.5 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 . 39 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 40.1 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 0 5 7 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 1 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 25 0, 0.0 2,-0.7 0, 0.0 224,-0.2 0.000 360.0 360.0 360.0 120.3 6.7 75.1 123.1 2 2 A L E -a 225 0A 42 222,-2.3 224,-2.1 37,-0.1 2,-0.7 -0.878 360.0-153.7 -99.4 111.5 3.8 74.0 125.3 3 3 A I E -a 226 0A 1 -2,-0.7 37,-1.6 35,-0.4 38,-1.1 -0.784 4.6-158.1 -89.2 118.4 1.9 71.2 123.7 4 4 A I E -ab 227 41A 0 222,-2.5 224,-1.5 -2,-0.7 38,-0.2 -0.856 24.5-120.5-100.0 104.8 -1.7 71.1 124.9 5 5 A G E -ab 228 42A 0 36,-2.4 38,-2.6 -2,-0.8 3,-0.2 -0.168 26.2-170.2 -46.4 123.5 -3.2 67.6 124.3 6 6 A E + 0 0 10 222,-1.9 -1,-0.1 1,-0.1 223,-0.1 0.696 61.3 88.7 -90.9 -22.5 -6.2 67.9 122.1 7 7 A R + 0 0 42 221,-0.3 2,-2.7 1,-0.2 5,-0.2 0.721 64.1 79.0 -51.7 -37.2 -7.7 64.4 122.3 8 8 A I + 0 0 0 35,-0.4 37,-2.2 -3,-0.2 2,-0.4 -0.425 69.9 129.0 -77.4 73.7 -9.9 64.6 125.4 9 9 A N B > -i 45 0B 3 -2,-2.7 3,-2.4 35,-0.2 6,-0.3 -0.995 65.5-132.7-133.7 128.5 -12.6 66.3 123.4 10 10 A G T 3 S+ 0 0 3 35,-2.8 6,-0.2 -2,-0.4 39,-0.1 0.587 99.7 76.2 -54.8 -13.0 -16.3 65.3 123.2 11 11 A M T 3 S+ 0 0 87 34,-0.1 2,-0.4 4,-0.1 -1,-0.3 0.743 80.4 83.9 -71.2 -22.7 -16.2 65.6 119.4 12 12 A F S X> S- 0 0 37 -3,-2.4 4,-2.7 -5,-0.2 3,-0.8 -0.686 85.5-130.4 -83.2 131.9 -14.4 62.3 119.4 13 13 A G H 3> S+ 0 0 49 -2,-0.4 4,-2.0 1,-0.2 5,-0.2 0.846 104.3 49.5 -48.4 -47.8 -16.7 59.2 119.5 14 14 A D H 3> S+ 0 0 54 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.790 114.3 46.3 -66.7 -27.9 -14.9 57.4 122.4 15 15 A I H <> S+ 0 0 0 -3,-0.8 4,-2.7 -6,-0.3 5,-0.2 0.890 109.2 53.7 -80.3 -40.7 -14.8 60.6 124.5 16 16 A K H X S+ 0 0 101 -4,-2.7 4,-2.1 -7,-0.3 -2,-0.2 0.904 113.6 43.8 -58.4 -42.1 -18.5 61.4 123.8 17 17 A R H X S+ 0 0 133 -4,-2.0 4,-3.2 -5,-0.2 5,-0.3 0.910 110.8 53.9 -69.6 -44.3 -19.4 57.9 125.0 18 18 A A H X>S+ 0 0 0 -4,-1.6 5,-2.3 1,-0.2 4,-0.8 0.938 112.2 44.7 -55.6 -49.3 -17.1 58.0 128.0 19 19 A I H <5S+ 0 0 1 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.919 115.0 48.4 -61.0 -46.4 -18.7 61.3 129.1 20 20 A Q H <5S+ 0 0 106 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.943 122.3 32.7 -60.5 -51.3 -22.3 60.0 128.5 21 21 A E H <5S- 0 0 127 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.442 107.6-125.0 -86.0 -0.8 -21.8 56.7 130.3 22 22 A R T <5 + 0 0 87 -4,-0.8 -3,-0.2 -5,-0.3 -4,-0.1 0.924 50.0 163.7 55.3 46.7 -19.4 58.4 132.8 23 23 A D >< - 0 0 49 -5,-2.3 4,-0.6 -6,-0.2 -1,-0.2 -0.872 21.6-170.0 -99.0 106.4 -16.7 55.8 132.0 24 24 A P H > S+ 0 0 45 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.787 70.1 80.4 -65.5 -32.5 -13.3 57.3 133.3 25 25 A A H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.873 92.2 44.7 -44.2 -57.6 -11.1 54.6 131.6 26 26 A P H > S+ 0 0 32 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.920 117.6 44.8 -57.4 -47.0 -11.1 56.1 128.1 27 27 A V H X S+ 0 0 0 -4,-0.6 4,-1.6 1,-0.2 -2,-0.2 0.925 113.8 48.6 -63.5 -47.5 -10.4 59.7 129.4 28 28 A Q H X S+ 0 0 45 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.829 110.8 52.2 -63.9 -31.8 -7.8 58.6 131.9 29 29 A E H X S+ 0 0 90 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.876 109.2 48.3 -71.8 -39.0 -6.0 56.6 129.2 30 30 A W H X S+ 0 0 34 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.788 109.0 55.2 -71.7 -26.3 -5.9 59.5 126.8 31 31 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.965 111.8 43.1 -68.2 -50.3 -4.5 61.7 129.6 32 32 A R H X S+ 0 0 114 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.950 115.1 47.6 -58.7 -55.5 -1.7 59.2 130.2 33 33 A R H X S+ 0 0 112 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.904 112.1 50.0 -55.1 -45.9 -0.9 58.6 126.5 34 34 A Q H X>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.2 4,-1.0 0.895 112.1 47.2 -62.5 -40.6 -0.9 62.3 125.7 35 35 A E H ><5S+ 0 0 72 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.900 109.3 54.5 -67.8 -38.5 1.4 63.1 128.6 36 36 A E H 3<5S+ 0 0 134 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.858 104.3 56.3 -61.6 -33.9 3.7 60.2 127.5 37 37 A G H 3<5S- 0 0 13 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.792 131.1 -92.0 -68.6 -27.9 3.8 61.9 124.1 38 38 A G T <<5S+ 0 0 1 -4,-1.0 -35,-0.4 -3,-0.6 -3,-0.2 0.397 73.5 146.5 131.2 -0.1 5.1 65.1 125.7 39 39 A A < - 0 0 0 -5,-2.1 -1,-0.3 191,-0.2 -35,-0.2 -0.406 25.9-172.2 -66.3 142.1 2.1 67.2 126.4 40 40 A R S S+ 0 0 61 -37,-1.6 31,-1.4 1,-0.1 2,-0.3 0.295 72.5 39.1-116.5 5.6 2.4 69.4 129.5 41 41 A A E S-bc 4 71A 0 -38,-1.1 -36,-2.4 29,-0.2 2,-0.4 -0.971 71.5-141.2-149.3 155.4 -1.2 70.5 129.4 42 42 A L E -bc 5 72A 0 29,-2.9 31,-3.3 -2,-0.3 2,-0.3 -0.968 9.1-143.4-129.3 119.8 -4.5 68.8 128.7 43 43 A D E - c 0 73A 0 -38,-2.6 2,-0.5 -2,-0.4 -35,-0.4 -0.618 15.9-161.1 -78.0 134.9 -7.4 70.4 126.8 44 44 A L E + c 0 74A 0 29,-3.0 31,-1.7 -2,-0.3 2,-0.5 -0.919 17.7 166.1-123.9 104.0 -10.8 69.3 128.2 45 45 A N B -i 9 0B 29 -37,-2.2 -35,-2.8 -2,-0.5 -34,-0.1 -0.973 24.3-160.4-120.9 120.2 -13.8 69.8 125.9 46 46 A V - 0 0 4 -2,-0.5 4,-0.4 29,-0.4 3,-0.2 0.746 39.3-133.5 -71.7 -22.6 -17.1 68.1 126.7 47 47 A G - 0 0 6 1,-0.1 -1,-0.1 2,-0.1 -36,-0.1 -0.117 21.8 -83.8 90.9 167.1 -18.4 68.4 123.2 48 48 A P S S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.642 113.6 68.9 -86.6 -12.9 -21.8 69.6 122.0 49 49 A A S S+ 0 0 61 -3,-0.2 -2,-0.1 -39,-0.1 -38,-0.0 0.895 74.4 90.3 -73.9 -43.5 -23.6 66.3 122.3 50 50 A V - 0 0 9 -4,-0.4 3,-0.2 1,-0.1 6,-0.0 -0.277 68.4-141.6 -60.5 139.4 -23.7 65.8 126.1 51 51 A Q S S+ 0 0 158 1,-0.2 2,-1.1 2,-0.1 -1,-0.1 0.986 89.0 42.2 -65.5 -65.9 -26.8 67.2 127.9 52 52 A D > + 0 0 66 1,-0.2 4,-1.4 2,-0.1 -1,-0.2 -0.738 65.0 173.3 -90.5 97.3 -25.5 68.7 131.1 53 53 A K H > S+ 0 0 61 -2,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.767 74.2 56.1 -74.8 -28.5 -22.2 70.4 130.1 54 54 A V H > S+ 0 0 40 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.967 112.0 42.2 -67.0 -52.6 -21.5 72.0 133.5 55 55 A S H > S+ 0 0 37 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.840 112.4 56.5 -61.9 -34.6 -21.6 68.7 135.2 56 56 A A H X S+ 0 0 0 -4,-1.4 4,-3.0 2,-0.2 -1,-0.2 0.904 104.7 50.2 -65.4 -43.7 -19.6 67.1 132.4 57 57 A M H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.930 109.7 51.3 -60.4 -46.8 -16.7 69.6 132.7 58 58 A E H X S+ 0 0 54 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.906 112.0 48.0 -55.5 -44.7 -16.5 68.9 136.4 59 59 A W H X S+ 0 0 32 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.944 109.0 51.4 -63.2 -50.9 -16.4 65.2 135.7 60 60 A L H X S+ 0 0 0 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.878 112.6 48.9 -54.8 -38.0 -13.7 65.5 133.0 61 61 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.964 112.5 45.2 -67.3 -52.8 -11.6 67.5 135.5 62 62 A E H X S+ 0 0 90 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.916 115.3 45.9 -59.0 -46.8 -12.0 65.1 138.4 63 63 A V H < S+ 0 0 12 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.830 115.4 48.5 -68.3 -29.4 -11.3 62.0 136.4 64 64 A T H >X S+ 0 0 0 -4,-1.4 3,-1.5 -5,-0.3 4,-0.6 0.939 108.1 49.0 -76.6 -49.3 -8.3 63.6 134.7 65 65 A Q H 3< S+ 0 0 28 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.616 98.8 72.6 -67.2 -9.4 -6.4 65.0 137.6 66 66 A E T 3< S+ 0 0 143 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.820 114.8 21.6 -71.5 -30.6 -6.8 61.6 139.3 67 67 A V T <4 S+ 0 0 28 -3,-1.5 2,-0.3 -4,-0.4 -2,-0.2 0.255 126.5 49.4-120.0 9.4 -4.2 60.3 136.9 68 68 A S < - 0 0 5 -4,-0.6 -1,-0.1 2,-0.1 -36,-0.0 -0.994 44.7-166.6-153.1 143.4 -2.4 63.5 135.8 69 69 A N + 0 0 131 -2,-0.3 3,-0.1 -3,-0.1 -4,-0.1 0.339 56.5 125.3-105.8 3.3 -0.8 66.5 137.4 70 70 A L S S- 0 0 16 1,-0.1 -29,-0.2 21,-0.1 21,-0.1 -0.208 75.0 -88.9 -61.8 152.9 -0.7 68.3 134.0 71 71 A T E -c 41 0A 34 -31,-1.4 -29,-2.9 1,-0.1 2,-0.6 -0.379 42.4-130.8 -63.5 138.2 -2.2 71.7 133.6 72 72 A L E -cd 42 93A 1 20,-1.3 22,-2.7 -31,-0.2 2,-0.9 -0.853 11.6-156.8 -99.7 120.6 -5.9 71.5 132.7 73 73 A C E -cd 43 94A 0 -31,-3.3 -29,-3.0 -2,-0.6 2,-1.0 -0.824 13.9-148.2 -97.2 98.7 -7.1 73.6 129.7 74 74 A L E -cd 44 95A 0 20,-2.6 22,-2.8 -2,-0.9 2,-0.8 -0.572 16.2-168.6 -74.4 101.9 -10.8 74.1 130.3 75 75 A D E + d 0 96A 15 -31,-1.7 -29,-0.4 -2,-1.0 2,-0.3 -0.808 31.2 115.0 -99.6 101.3 -12.2 74.3 126.7 76 76 A S - 0 0 10 20,-2.1 6,-0.1 -2,-0.8 -31,-0.0 -0.968 58.0-142.4-164.8 146.9 -15.9 75.4 126.6 77 77 A T S S+ 0 0 145 -2,-0.3 2,-0.9 1,-0.1 20,-0.1 0.517 85.6 91.7 -86.3 -7.0 -18.1 78.3 125.4 78 78 A N > - 0 0 55 1,-0.2 4,-1.8 -25,-0.1 3,-0.4 -0.804 61.2-165.8 -91.8 105.4 -20.2 77.8 128.5 79 79 A I H > S+ 0 0 41 -2,-0.9 4,-2.7 1,-0.2 5,-0.2 0.815 87.9 56.5 -61.5 -31.2 -18.8 80.1 131.1 80 80 A K H > S+ 0 0 159 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.869 107.0 48.9 -68.2 -36.6 -20.7 78.3 133.9 81 81 A A H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.866 111.3 50.9 -69.3 -36.0 -19.1 75.0 132.9 82 82 A I H X S+ 0 0 2 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.962 111.2 46.7 -64.7 -52.4 -15.7 76.8 133.0 83 83 A E H X S+ 0 0 80 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.908 112.8 50.0 -56.1 -44.2 -16.3 78.2 136.4 84 84 A A H X S+ 0 0 12 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.885 110.3 50.8 -62.7 -39.3 -17.5 74.8 137.7 85 85 A G H >X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 3,-1.3 0.927 108.3 51.6 -64.1 -45.3 -14.4 73.2 136.2 86 86 A L H 3< S+ 0 0 8 -4,-2.7 3,-0.3 1,-0.3 -2,-0.2 0.887 104.2 56.6 -58.9 -42.4 -12.1 75.7 137.9 87 87 A K H 3< S+ 0 0 144 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.638 111.4 44.5 -66.2 -13.9 -13.6 75.1 141.3 88 88 A K H << S+ 0 0 82 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.644 89.1 111.7-100.8 -21.9 -12.8 71.4 141.0 89 89 A C < - 0 0 27 -4,-1.4 4,-0.1 -3,-0.3 -27,-0.1 -0.283 41.8-175.6 -58.3 131.4 -9.3 71.9 139.7 90 90 A K S S+ 0 0 168 -29,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.613 70.4 45.1-100.1 -19.5 -6.5 70.9 142.0 91 91 A N S S- 0 0 58 1,-0.1 -19,-0.1 -21,-0.1 -21,-0.1 -0.681 106.8 -62.4-119.3 173.8 -3.7 72.1 139.7 92 92 A R - 0 0 99 -2,-0.2 -20,-1.3 1,-0.1 2,-0.2 -0.253 60.7-155.0 -54.1 139.5 -3.0 75.3 137.7 93 93 A A E -d 72 0A 6 22,-0.3 25,-2.8 -22,-0.2 2,-0.4 -0.734 16.0-144.1-121.0 168.2 -5.6 75.8 135.0 94 94 A M E -de 73 118A 3 -22,-2.7 -20,-2.6 23,-0.3 2,-0.7 -0.996 16.1-139.5-129.4 133.7 -6.1 77.4 131.6 95 95 A I E -de 74 119A 0 23,-2.7 25,-2.9 -2,-0.4 2,-0.5 -0.856 15.2-145.5 -98.8 117.9 -9.3 79.0 130.4 96 96 A N E +de 75 120A 11 -22,-2.8 -20,-2.1 -2,-0.7 25,-0.1 -0.882 61.4 25.1-124.3 98.8 -10.2 78.3 126.8 97 97 A S E + 0 0 27 23,-0.5 2,-0.3 -2,-0.5 -1,-0.3 0.600 37.8 130.0-162.0-165.3 -11.4 80.8 126.1 98 98 A T E - e 0 121A 2 22,-2.2 24,-2.7 -3,-0.3 2,-0.2 -0.880 29.3-154.2-129.7 160.5 -12.6 84.4 125.8 99 99 A N - 0 0 13 -2,-0.3 26,-0.2 2,-0.2 24,-0.1 -0.529 42.0 -82.7-121.2-166.9 -12.8 86.6 122.8 100 100 A A S S+ 0 0 7 24,-3.1 25,-0.2 22,-0.4 2,-0.2 0.519 85.6 121.1 -80.2 -4.3 -12.7 90.4 122.3 101 101 A E >> - 0 0 47 23,-0.4 4,-2.3 1,-0.2 3,-0.5 -0.434 64.3-139.2 -60.7 126.7 -16.4 90.8 123.1 102 102 A R H 3> S+ 0 0 120 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.901 99.5 59.7 -55.4 -44.4 -16.5 93.1 126.1 103 103 A E H 34 S+ 0 0 144 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.865 111.9 39.5 -53.8 -40.0 -19.3 91.1 127.7 104 104 A K H X> S+ 0 0 77 -3,-0.5 4,-2.9 2,-0.2 3,-1.2 0.851 110.1 60.0 -79.8 -34.9 -17.0 88.0 127.8 105 105 A V H 3X S+ 0 0 8 -4,-2.3 4,-2.3 1,-0.3 -2,-0.2 0.934 102.7 50.7 -58.0 -50.1 -13.9 89.9 128.7 106 106 A E H 3< S+ 0 0 97 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.510 117.2 41.8 -70.2 -2.2 -15.3 91.3 132.0 107 107 A K H <> S+ 0 0 132 -3,-1.2 4,-1.2 -5,-0.2 -2,-0.2 0.774 120.0 37.5-106.2 -46.8 -16.3 87.8 133.0 108 108 A L H X S+ 0 0 4 -4,-2.9 4,-2.7 2,-0.2 -3,-0.2 0.846 112.4 53.5 -78.6 -37.0 -13.4 85.7 131.9 109 109 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.971 114.3 41.7 -64.6 -51.4 -10.5 88.0 132.7 110 110 A P H > S+ 0 0 44 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.895 115.3 53.1 -61.5 -36.0 -11.5 88.5 136.4 111 111 A L H X S+ 0 0 7 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.905 108.9 48.7 -64.1 -40.7 -12.4 84.8 136.5 112 112 A A H X>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 4,-0.6 0.921 114.0 45.7 -64.9 -44.0 -8.9 84.0 135.3 113 113 A V H ><5S+ 0 0 58 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.908 107.4 57.8 -65.5 -42.9 -7.3 86.3 137.8 114 114 A E H 3<5S+ 0 0 141 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.865 117.3 34.1 -55.3 -38.6 -9.5 85.0 140.6 115 115 A H H 3<5S- 0 0 65 -4,-1.5 -22,-0.3 -5,-0.2 -1,-0.3 0.382 104.7-123.5-100.3 2.9 -8.2 81.5 140.0 116 116 A G T <<5 + 0 0 41 -3,-1.0 2,-0.2 -4,-0.6 -3,-0.2 0.877 63.8 146.3 56.8 36.4 -4.6 82.3 139.0 117 117 A A < - 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0 0 2 -5,-2.1 -1,-0.2 1,-0.2 -29,-0.1 -0.270 8.9-179.8 -54.8 131.7 4.2 80.7 119.0 224 224 A D + 0 0 55 -31,-1.5 -222,-2.3 1,-0.2 2,-0.3 0.666 60.6 15.9-107.1 -25.1 4.3 79.6 122.6 225 225 A A E -a 2 0A 0 -32,-1.6 2,-0.3 -224,-0.2 -1,-0.2 -0.961 55.2-166.2-147.3 163.5 1.7 76.9 122.8 226 226 A A E -a 3 0A 0 -224,-2.1 -222,-2.5 -2,-0.3 2,-0.8 -0.890 21.2-140.4-157.8 120.5 -0.4 74.7 120.6 227 227 A I E +ah 4 196A 3 -32,-2.2 -30,-0.9 -2,-0.3 -29,-0.7 -0.750 60.4 127.9 -78.0 113.5 -3.5 72.6 121.3 228 228 A A E -a 5 0A 0 -224,-1.5 -222,-1.9 -2,-0.8 2,-1.1 -0.894 67.1 -55.5-155.3-175.0 -2.5 69.6 119.1 229 229 A D > - 0 0 56 -2,-0.3 3,-1.5 -224,-0.2 7,-0.1 -0.621 40.6-177.7 -77.5 98.0 -2.0 65.9 118.7 230 230 A A T 3 S+ 0 0 0 -2,-1.1 -1,-0.2 1,-0.3 -191,-0.2 0.576 81.5 62.8 -72.6 -9.4 0.5 65.1 121.5 231 231 A C T 3 S+ 0 0 45 -193,-0.1 2,-1.0 1,-0.1 -1,-0.3 0.292 77.2 99.5 -96.9 8.3 0.4 61.5 120.3 232 232 A D <> - 0 0 25 -3,-1.5 4,-2.1 1,-0.2 3,-0.4 -0.813 56.3-169.6 -97.6 97.4 1.9 62.5 117.0 233 233 A E H > S+ 0 0 144 -2,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.850 84.2 54.4 -55.2 -41.1 5.6 61.7 117.4 234 234 A A H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.893 109.5 49.8 -62.4 -37.7 6.6 63.5 114.2 235 235 A L H > S+ 0 0 1 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.901 107.8 51.6 -67.3 -42.6 4.9 66.6 115.6 236 236 A I H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.886 107.0 55.6 -61.9 -37.5 6.6 66.4 118.9 237 237 A E H X S+ 0 0 65 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.930 107.1 49.4 -59.3 -46.5 9.9 66.1 117.1 238 238 A T H X S+ 0 0 7 -4,-1.8 4,-3.3 2,-0.2 5,-0.2 0.919 109.3 51.3 -59.5 -45.7 9.1 69.4 115.3 239 239 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.964 114.8 43.1 -55.8 -52.8 8.3 71.1 118.6 240 240 A A H X S+ 0 0 2 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.893 116.3 47.2 -60.0 -44.3 11.5 70.0 120.1 241 241 A T H X S+ 0 0 1 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.903 108.9 54.7 -66.2 -42.3 13.6 70.8 117.0 242 242 A A H X S+ 0 0 0 -4,-3.3 4,-0.9 1,-0.2 -1,-0.2 0.875 104.0 54.3 -60.6 -39.2 12.0 74.2 116.6 243 243 A E H <>S+ 0 0 6 -4,-1.9 5,-3.0 -5,-0.2 6,-1.1 0.898 109.4 49.7 -61.7 -39.2 12.9 75.2 120.2 244 244 A I H ><5S+ 0 0 3 -4,-1.3 3,-1.8 1,-0.2 -2,-0.2 0.941 108.1 51.4 -63.4 -48.8 16.5 74.3 119.3 245 245 A L H 3<5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.614 111.5 48.2 -66.1 -13.3 16.5 76.4 116.1 246 246 A L T 3<5S- 0 0 21 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.331 112.0-122.5-105.4 3.1 15.2 79.4 118.0 247 247 A N T < 5S+ 0 0 69 -3,-1.8 -3,-0.2 2,-0.2 3,-0.1 0.860 77.3 126.0 56.6 38.0 17.9 78.9 120.7 248 248 A Q S - 0 0 48 -2,-0.1 3,-1.5 216,-0.1 4,-0.1 -0.906 53.7-104.8-162.9 149.4 22.1 68.0 122.8 253 253 A D T 3 S+ 0 0 80 1,-0.3 3,-0.4 -2,-0.3 -2,-0.0 0.829 120.6 49.0 -51.8 -37.4 21.9 64.9 120.6 254 254 A S T 3> S+ 0 0 45 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 -0.129 70.2 134.9 -96.2 38.8 18.9 63.6 122.5 255 255 A F H <> + 0 0 9 -3,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.814 69.9 55.2 -57.3 -31.3 17.0 66.9 122.3 256 256 A V H > S+ 0 0 25 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.957 109.7 45.3 -66.9 -48.6 13.8 65.1 121.3 257 257 A K H > S+ 0 0 127 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.917 110.0 54.4 -60.2 -45.9 13.9 62.9 124.4 258 258 A M H X S+ 0 0 80 -4,-2.6 4,-1.3 1,-0.2 3,-0.3 0.869 105.9 53.8 -56.7 -37.5 14.7 65.8 126.7 259 259 A F H < S+ 0 0 7 -4,-1.6 3,-0.3 -5,-0.2 -1,-0.2 0.911 110.2 46.3 -64.1 -42.1 11.7 67.6 125.4 260 260 A K H < S+ 0 0 68 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.646 121.6 36.4 -75.7 -16.1 9.4 64.6 126.2 261 261 A T H < 0 0 90 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.420 360.0 360.0-118.5 1.4 10.9 64.1 129.7 262 262 A R < 0 0 153 -4,-1.3 -2,-0.1 -3,-0.3 -3,-0.1 0.782 360.0 360.0 -60.7 360.0 11.6 67.6 131.0 263 !* 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 0.0 264 1 B M 0 0 24 0, 0.0 2,-0.7 0, 0.0 224,-0.2 0.000 360.0 360.0 360.0 124.8 10.7 77.6 96.9 265 2 B L E -k 488 0D 40 222,-2.8 224,-2.6 37,-0.1 2,-0.6 -0.874 360.0-155.0 -99.8 112.8 13.6 76.9 94.5 266 3 B I E -k 489 0D 2 -2,-0.7 37,-1.8 35,-0.4 38,-0.8 -0.785 3.8-159.7 -89.5 123.4 15.6 73.8 95.6 267 4 B I E -kl 490 304D 0 222,-3.4 224,-1.5 -2,-0.6 38,-0.2 -0.898 25.0-120.8-105.5 106.3 19.1 73.9 94.3 268 5 B G E -kl 491 305D 0 36,-2.7 38,-3.2 -2,-0.7 3,-0.2 -0.218 25.9-170.4 -48.4 124.0 20.6 70.4 94.3 269 6 B E + 0 0 12 222,-1.8 -1,-0.2 36,-0.2 223,-0.1 0.598 60.8 90.6 -92.8 -16.9 23.7 70.4 96.6 270 7 B R + 0 0 47 221,-0.3 2,-2.2 1,-0.2 5,-0.2 0.674 61.9 78.6 -59.0 -30.2 25.1 67.0 95.7 271 8 B I + 0 0 0 35,-0.5 37,-2.2 -3,-0.2 2,-0.4 -0.520 69.2 130.5 -83.5 76.1 27.4 67.7 92.8 272 9 B N B > -s 308 0E 3 -2,-2.2 3,-2.7 35,-0.2 6,-0.3 -0.992 63.7-134.5-134.6 124.4 30.1 69.0 95.2 273 10 B G T 3 S+ 0 0 3 35,-2.9 6,-0.2 -2,-0.4 39,-0.1 0.631 100.0 75.1 -51.9 -16.7 33.8 67.9 95.1 274 11 B M T 3 S+ 0 0 90 34,-0.1 2,-0.3 4,-0.1 -1,-0.3 0.782 80.8 84.3 -68.4 -24.5 33.7 67.5 98.9 275 12 B F S <> S- 0 0 37 -3,-2.7 4,-2.6 -5,-0.2 3,-0.2 -0.637 86.4-130.1 -79.1 133.2 31.7 64.3 98.4 276 13 B G H > S+ 0 0 53 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.846 104.0 48.6 -51.7 -45.2 34.0 61.3 97.7 277 14 B D H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.883 114.0 46.4 -66.7 -37.8 32.2 60.1 94.6 278 15 B I H > S+ 0 0 0 -6,-0.3 4,-2.4 -3,-0.2 5,-0.2 0.892 109.9 54.9 -71.0 -38.5 32.2 63.5 93.0 279 16 B K H X S+ 0 0 106 -4,-2.6 4,-2.5 -7,-0.3 -2,-0.2 0.933 112.3 42.6 -59.7 -46.4 35.8 64.1 93.9 280 17 B R H X S+ 0 0 119 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.883 111.0 55.2 -67.9 -39.8 36.9 60.9 92.1 281 18 B A H X>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 4,-0.8 0.909 112.5 43.5 -59.5 -43.1 34.6 61.5 89.1 282 19 B I H <5S+ 0 0 1 -4,-2.4 3,-0.4 3,-0.2 -2,-0.2 0.956 115.9 47.0 -67.3 -50.2 36.2 65.0 88.6 283 20 B Q H <5S+ 0 0 110 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.879 122.0 36.2 -59.4 -40.2 39.7 63.7 89.1 284 21 B E H <5S- 0 0 116 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.516 106.1-127.3 -90.5 -6.2 39.1 60.7 86.8 285 22 B R T <5 + 0 0 89 -4,-0.8 -3,-0.2 -3,-0.4 -4,-0.1 0.943 51.1 159.7 56.6 49.3 36.9 62.7 84.4 286 23 B D >< - 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0 0 48 -2,-0.1 3,-1.3 -310,-0.1 6,-0.1 -0.918 54.1-103.0-160.5 148.7 -4.6 70.6 95.9 516 253 B D T 3 S+ 0 0 88 -2,-0.3 3,-0.3 1,-0.3 2,-0.1 0.798 120.0 45.5 -49.7 -35.9 -4.5 67.1 97.4 517 254 B S T 3> + 0 0 55 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 -0.256 69.4 137.7-104.5 48.0 -1.3 66.1 95.5 518 255 B F H <> + 0 0 11 -3,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.836 69.9 55.3 -61.2 -32.7 0.6 69.3 96.2 519 256 B V H > S+ 0 0 35 -3,-0.3 4,-2.1 2,-0.2 3,-0.3 0.970 110.6 42.6 -64.8 -53.6 3.8 67.4 96.9 520 257 B K H > S+ 0 0 143 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.874 113.1 54.6 -60.6 -36.8 3.7 65.6 93.5 521 258 B M H < S+ 0 0 101 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.852 106.7 51.1 -65.3 -35.1 2.8 68.9 91.8 522 259 B F H >< S+ 0 0 7 -4,-1.8 3,-0.6 -3,-0.3 -2,-0.2 0.944 113.6 44.7 -65.4 -47.9 5.8 70.6 93.4 523 260 B K H 3< S+ 0 0 57 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.840 118.2 40.8 -65.4 -39.5 8.1 67.9 92.1 524 261 B T T 3< 0 0 95 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.374 360.0 360.0 -93.4 3.8 6.7 67.6 88.6 525 262 B R < 0 0 147 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.1 0.881 360.0 360.0 -55.6 360.0 6.3 71.4 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 95 0, 0.0 -515,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 -11.1 65.5 113.8 528 !* 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 0 130 0, 0.0 -63,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 29.0 66.8 104.7