==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSLATION 21-SEP-05 2B3T . COMPND 2 MOLECULE: PROTEIN METHYLTRANSFERASE HEMK; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.GRAILLE,V.HEURGUE-HAMARD,S.CHAMP,L.MORA,N.SCRIMA,N.ULRYCK, . 577 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28245.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 32 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 4 0 2 0 0 1 3 1 0 1 1 2 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 3 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 3 4 2 1 1 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 . 1 1 0 0 0 1 0 1 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 81 0, 0.0 46,-1.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 169.5 54.1 6.6 35.9 2 2 A E B > -A 46 0A 53 44,-0.2 4,-2.4 1,-0.1 3,-0.4 -0.778 360.0-133.3-100.0 137.2 56.9 7.8 38.2 3 3 A Y H > S+ 0 0 9 42,-1.9 4,-2.4 -2,-0.4 5,-0.2 0.906 115.9 49.9 -46.2 -44.8 56.4 9.1 41.7 4 4 A Q H > S+ 0 0 83 39,-1.7 4,-1.5 41,-0.2 -1,-0.3 0.872 112.1 48.2 -63.5 -36.6 58.5 12.0 40.6 5 5 A H H >> S+ 0 0 82 38,-0.4 4,-2.5 -3,-0.4 3,-1.2 1.000 111.7 46.0 -66.0 -67.1 56.4 12.4 37.5 6 6 A W H 3X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.3 5,-0.3 0.872 111.8 52.7 -39.7 -55.7 53.0 12.4 39.3 7 7 A L H 3X S+ 0 0 3 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.3 0.878 111.0 48.2 -49.7 -42.2 54.2 14.8 42.0 8 8 A R H X S+ 0 0 66 -4,-2.5 3,-1.6 2,-0.2 4,-1.0 0.996 114.6 44.8 -59.2 -70.3 52.0 16.8 37.4 10 10 A A H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.892 106.6 59.0 -40.9 -59.0 49.7 17.2 40.4 11 11 A I H >< S+ 0 0 24 -4,-1.8 3,-1.0 -5,-0.3 -1,-0.3 0.826 105.3 55.2 -44.2 -35.6 51.6 20.1 41.9 12 12 A S H X< S+ 0 0 75 -3,-1.6 2,-2.2 -4,-1.0 3,-1.6 0.990 109.7 39.5 -59.2 -78.4 50.9 21.9 38.6 13 13 A Q T 3< S+ 0 0 56 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.053 111.6 65.7 -62.3 31.3 47.1 21.6 38.5 14 14 A L T X + 0 0 7 -2,-2.2 3,-1.7 -3,-1.0 -1,-0.3 0.128 58.3 120.7-140.9 18.6 47.1 22.3 42.3 15 15 A Q T < + 0 0 133 -3,-1.6 -2,-0.1 1,-0.3 -3,-0.1 0.719 61.4 72.1 -57.5 -29.0 48.4 25.9 42.3 16 16 A A T 3 S+ 0 0 113 3,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.533 84.0 94.8 -67.4 -6.5 45.3 27.2 44.1 17 17 A S S < S- 0 0 25 -3,-1.7 -3,-0.1 1,-0.1 46,-0.0 -0.407 77.0-135.1 -84.3 161.3 46.6 25.5 47.3 18 18 A E S S+ 0 0 129 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.1 0.541 105.9 27.0 -90.1 -9.1 48.6 27.1 50.0 19 19 A S > + 0 0 14 -5,-0.2 4,-3.4 1,-0.1 5,-0.2 -0.359 68.2 161.3-152.6 63.1 50.8 24.0 50.1 20 20 A P H > S+ 0 0 24 0, 0.0 4,-3.5 0, 0.0 5,-0.1 0.903 78.4 46.5 -52.0 -55.6 50.9 22.1 46.6 21 21 A R H > S+ 0 0 74 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.979 118.1 44.0 -53.7 -58.6 54.1 20.0 47.1 22 22 A R H > S+ 0 0 15 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.951 113.1 49.2 -50.3 -60.5 53.0 19.0 50.6 23 23 A D H X S+ 0 0 0 -4,-3.4 4,-2.4 2,-0.2 -1,-0.2 0.952 116.6 47.3 -42.8 -54.1 49.4 18.3 49.5 24 24 A A H X S+ 0 0 0 -4,-3.5 4,-2.1 -5,-0.2 5,-0.3 0.968 112.3 45.1 -49.6 -75.2 51.0 16.3 46.7 25 25 A E H X S+ 0 0 0 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.819 112.0 53.3 -41.0 -45.5 53.5 14.4 48.7 26 26 A I H X S+ 0 0 15 -4,-3.6 4,-2.9 -5,-0.3 -1,-0.2 0.977 110.4 46.5 -57.6 -56.2 50.9 13.5 51.4 27 27 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 0.933 112.6 48.9 -47.9 -58.4 48.5 12.1 48.8 28 28 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.4 0.868 112.7 49.1 -52.7 -40.0 51.1 10.1 47.0 29 29 A E H X>S+ 0 0 33 -4,-2.4 4,-4.0 -5,-0.3 5,-0.6 0.963 108.7 53.6 -62.1 -53.9 52.3 8.7 50.4 30 30 A H H <5S+ 0 0 88 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.894 115.2 38.9 -47.2 -52.2 48.8 7.8 51.4 31 31 A V H <5S+ 0 0 27 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.983 126.4 33.0 -67.2 -58.2 48.1 5.8 48.3 32 32 A T H <5S- 0 0 21 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.757 96.8-134.0 -71.2 -27.7 51.5 4.1 47.9 33 33 A G T <5 + 0 0 60 -4,-4.0 2,-0.4 -5,-0.4 -3,-0.2 0.931 61.7 127.1 72.6 42.8 52.2 3.8 51.6 34 34 A R < - 0 0 113 -5,-0.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.991 59.4-113.8-130.0 138.5 55.8 5.0 51.2 35 35 A G > - 0 0 38 -2,-0.4 4,-2.0 -3,-0.1 5,-0.2 0.017 30.8 -97.1 -65.7 176.2 57.0 7.9 53.4 36 36 A R H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.979 122.8 51.7 -56.3 -59.7 58.0 11.4 52.3 37 37 A T H > S+ 0 0 20 1,-0.2 4,-3.7 2,-0.2 5,-0.2 0.812 108.2 51.6 -45.4 -43.5 61.7 10.6 52.2 38 38 A F H > S+ 0 0 47 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.967 109.0 49.1 -61.4 -55.2 61.2 7.5 50.1 39 39 A I H < S+ 0 0 3 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.904 116.5 45.1 -50.8 -44.4 59.2 9.4 47.5 40 40 A L H >< S+ 0 0 35 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.958 116.6 42.2 -67.4 -50.8 62.0 11.9 47.5 41 41 A A H 3< S+ 0 0 3 -4,-3.7 -2,-0.2 1,-0.2 -1,-0.2 0.790 125.2 35.4 -68.0 -26.4 65.0 9.5 47.4 42 42 A F T >< + 0 0 37 -4,-3.4 3,-1.3 -5,-0.2 -1,-0.2 -0.416 57.4 149.2-131.0 66.4 63.3 7.2 44.9 43 43 A G T < + 0 0 7 -3,-0.6 -39,-1.7 1,-0.2 -38,-0.4 0.479 63.1 80.9 -74.0 1.5 61.2 9.0 42.3 44 44 A E T 3 + 0 0 77 -42,-0.1 -1,-0.2 -41,-0.1 -5,-0.0 0.679 66.1 115.2 -78.1 -18.4 62.0 6.4 39.7 45 45 A T < - 0 0 42 -3,-1.3 -42,-1.9 -6,-0.1 2,-0.2 -0.204 61.7-135.8 -56.8 136.4 59.3 4.1 41.1 46 46 A Q B -A 2 0A 108 -44,-0.2 2,-0.4 -43,-0.1 -44,-0.2 -0.576 14.6-123.1 -91.2 159.3 56.4 3.3 38.9 47 47 A L - 0 0 12 -46,-1.2 2,-0.1 -2,-0.2 3,-0.0 -0.844 20.7-124.0-102.8 136.7 52.8 3.4 40.1 48 48 A T > - 0 0 88 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.404 37.8-102.6 -69.7 159.2 50.6 0.3 39.7 49 49 A D H >> S+ 0 0 146 2,-0.2 4,-2.3 1,-0.2 3,-0.6 0.953 119.4 52.8 -49.3 -61.9 47.5 1.1 37.8 50 50 A E H >> S+ 0 0 135 1,-0.3 4,-3.8 2,-0.2 3,-1.0 0.904 107.2 52.6 -35.4 -69.1 45.2 1.3 40.8 51 51 A Q H 3> S+ 0 0 28 1,-0.3 4,-3.9 2,-0.2 5,-0.3 0.853 109.5 49.5 -36.7 -50.7 47.4 3.7 42.6 52 52 A C H X S+ 0 0 70 -4,-2.3 3,-1.9 -3,-0.5 4,-1.8 0.968 109.3 50.2 -54.6 -56.5 40.3 15.8 41.8 61 61 A R H ><>S+ 0 0 92 -4,-1.9 3,-1.7 1,-0.3 5,-1.2 0.948 107.6 52.6 -42.9 -65.6 38.6 16.3 45.1 62 62 A R H 3<5S+ 0 0 21 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.663 107.0 54.1 -48.8 -19.7 41.6 18.3 46.4 63 63 A R H <<5S+ 0 0 140 -3,-1.9 -1,-0.3 -4,-1.0 -2,-0.2 0.831 103.3 54.2 -83.3 -34.1 41.3 20.5 43.3 64 64 A D T <<5S- 0 0 101 -4,-1.8 -2,-0.2 -3,-1.7 -1,-0.2 0.429 130.5-104.1 -75.2 0.9 37.7 21.1 44.2 65 65 A G T 5 + 0 0 9 -4,-0.4 -3,-0.2 -5,-0.3 136,-0.2 0.250 62.8 161.8 97.4 -11.7 39.2 22.2 47.5 66 66 A E < - 0 0 36 -5,-1.2 -1,-0.2 -6,-0.1 5,-0.1 -0.186 47.9-102.8 -48.5 121.0 38.4 19.2 49.7 67 67 A P > - 0 0 0 0, 0.0 4,-1.2 0, 0.0 3,-0.1 0.071 19.0-126.7 -43.4 151.6 40.7 19.3 52.8 68 68 A I H >> S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 3,-1.1 0.969 111.5 52.6 -68.8 -52.0 43.6 17.0 52.9 69 69 A A H 34 S+ 0 0 2 1,-0.3 4,-0.3 2,-0.2 15,-0.3 0.689 107.4 56.2 -56.5 -18.4 42.7 15.5 56.3 70 70 A H H 34 S+ 0 0 21 2,-0.2 -1,-0.3 3,-0.2 -2,-0.2 0.824 109.0 45.2 -80.8 -35.2 39.3 14.8 54.7 71 71 A L H << S+ 0 0 16 -4,-1.2 -2,-0.2 -3,-1.1 -3,-0.1 0.884 123.7 32.3 -75.8 -43.1 40.9 12.8 51.9 72 72 A T S < S- 0 0 24 -4,-2.4 -3,-0.2 2,-0.2 -1,-0.2 0.556 100.6-139.1 -90.2 -11.6 43.3 10.7 54.0 73 73 A G + 0 0 22 -5,-0.5 11,-1.6 -4,-0.3 2,-0.3 0.575 62.0 103.0 66.4 12.1 40.7 10.8 56.8 74 74 A V E +B 83 0B 61 9,-0.3 2,-0.3 -6,-0.2 9,-0.2 -0.900 40.7 179.9-129.6 158.9 43.2 11.3 59.7 75 75 A R E -B 82 0B 23 7,-2.5 7,-3.8 -2,-0.3 2,-0.4 -0.943 19.1-140.0-156.7 130.2 44.5 14.0 62.0 76 76 A E E +B 81 0B 24 421,-0.4 2,-0.3 -2,-0.3 424,-0.2 -0.739 24.3 169.2 -94.2 139.8 47.1 14.1 64.7 77 77 A F E > S+B 80 0B 2 3,-2.7 3,-1.4 -2,-0.4 -2,-0.1 -0.953 73.9 1.9-149.5 123.2 46.4 16.2 67.8 78 78 A W T 3 S- 0 0 17 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 0.836 129.8 -63.7 64.1 32.5 48.5 16.0 70.9 79 79 A S T 3 S+ 0 0 41 1,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.664 115.4 124.8 63.1 18.1 50.7 13.5 69.1 80 80 A L E < -B 77 0B 29 -3,-1.4 -3,-2.7 -5,-0.0 2,-0.6 -0.927 64.5-124.7-111.4 128.6 47.5 11.4 69.1 81 81 A P E -B 76 0B 59 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.636 30.9-175.9 -80.0 114.5 46.0 10.0 65.8 82 82 A L E -B 75 0B 1 -7,-3.8 -7,-2.5 -2,-0.6 2,-0.3 -0.891 23.4-134.4-113.5 135.6 42.4 11.0 65.2 83 83 A F E -B 74 0B 43 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.3 -0.695 31.6-170.1 -82.4 140.8 40.1 9.9 62.4 84 84 A V + 0 0 9 -11,-1.6 6,-0.1 -2,-0.3 5,-0.0 -0.892 12.1 173.0-129.0 161.7 38.2 13.0 61.1 85 85 A S > - 0 0 36 -2,-0.3 3,-2.1 4,-0.2 -15,-0.1 -0.973 53.5 -90.5-159.1 162.7 35.3 13.4 58.7 86 86 A P T 3 S+ 0 0 78 0, 0.0 3,-0.0 0, 0.0 4,-0.0 0.364 108.2 90.6 -63.8 14.3 33.0 16.2 57.5 87 87 A A T 3 S- 0 0 23 57,-0.1 2,-0.2 2,-0.1 58,-0.2 0.707 105.5 -13.0 -79.3 -22.2 30.8 15.1 60.5 88 88 A T S < S- 0 0 0 -3,-2.1 2,-0.2 56,-0.1 118,-0.1 -0.722 98.3 -46.2-153.4-157.3 32.6 17.6 62.7 89 89 A L - 0 0 0 -2,-0.2 31,-0.3 113,-0.1 -4,-0.2 -0.521 45.4-116.8 -90.0 154.8 35.7 19.8 62.8 90 90 A I - 0 0 0 -2,-0.2 -6,-0.1 -6,-0.1 -1,-0.0 -0.802 47.5-107.5 -89.8 104.4 39.2 18.9 61.9 91 91 A P - 0 0 1 0, 0.0 -9,-0.1 0, 0.0 -15,-0.1 -0.009 40.4-143.4 -37.2 118.0 41.1 19.3 65.2 92 92 A R > - 0 0 3 490,-0.4 4,-0.5 1,-0.1 3,-0.3 -0.458 15.4-122.5 -88.9 158.0 43.2 22.5 65.0 93 93 A P T >4 S+ 0 0 13 0, 0.0 3,-1.1 0, 0.0 4,-0.5 0.879 110.9 56.8 -66.7 -36.4 46.7 23.2 66.4 94 94 A D T >> S+ 0 0 3 1,-0.3 3,-1.3 2,-0.2 4,-0.8 0.819 97.0 63.4 -64.9 -29.9 45.5 26.3 68.4 95 95 A T H 3> S+ 0 0 0 1,-0.3 4,-1.6 -3,-0.3 -1,-0.3 0.763 89.1 69.0 -65.1 -24.7 43.0 24.1 70.1 96 96 A E H S+ 0 0 3 -3,-1.3 4,-2.7 -4,-0.5 5,-0.3 0.930 96.3 56.1 -67.5 -46.8 46.5 25.3 73.5 98 98 A L H X S+ 0 0 0 -4,-0.8 4,-2.3 1,-0.2 5,-0.2 0.970 110.2 48.1 -46.0 -59.9 43.1 25.1 75.2 99 99 A V H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.850 108.7 53.5 -47.3 -45.4 44.3 21.7 76.4 100 100 A E H >X S+ 0 0 35 -4,-2.0 4,-1.0 1,-0.2 3,-1.0 0.979 111.4 44.1 -57.9 -56.7 47.7 23.0 77.5 101 101 A Q H 3X S+ 0 0 53 -4,-2.7 4,-1.2 1,-0.3 3,-0.3 0.831 113.0 53.0 -58.4 -32.8 46.1 25.7 79.7 102 102 A A H 3X S+ 0 0 0 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.3 0.752 99.3 63.1 -75.1 -24.1 43.6 23.3 81.0 103 103 A L H << S+ 0 0 50 -4,-1.6 -1,-0.2 -3,-1.0 -2,-0.2 0.821 102.9 49.8 -70.8 -28.9 46.3 20.8 82.1 104 104 A A H < S+ 0 0 75 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.1 0.989 108.9 48.4 -70.1 -62.0 47.7 23.2 84.6 105 105 A R H < S+ 0 0 51 -4,-1.2 -2,-0.2 2,-0.1 -1,-0.2 0.807 84.1 114.0 -46.5 -40.8 44.5 24.2 86.4 106 106 A L S < S- 0 0 11 -4,-1.4 2,-0.1 1,-0.1 7,-0.0 -0.040 79.2-105.1 -40.2 130.4 43.5 20.6 86.8 107 107 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.376 18.5-127.4 -62.7 132.1 43.5 19.6 90.5 108 108 A E S S+ 0 0 194 -3,-0.1 -2,-0.1 -2,-0.1 3,-0.0 0.652 93.4 80.7 -57.1 -12.6 46.5 17.4 91.5 109 109 A Q S S- 0 0 143 1,-0.1 24,-0.0 25,-0.0 0, 0.0 -0.831 100.9 -93.7-100.7 132.5 43.9 15.0 92.9 110 110 A P + 0 0 85 0, 0.0 2,-0.3 0, 0.0 24,-0.2 -0.067 62.7 150.7 -41.4 134.3 42.0 12.6 90.6 111 111 A C - 0 0 29 -4,-0.1 24,-1.2 -3,-0.0 2,-0.4 -0.908 42.9 -84.4-156.9-178.1 38.7 14.2 89.4 112 112 A R E -c 135 0C 79 -2,-0.3 66,-1.8 22,-0.2 67,-0.9 -0.848 33.3-166.3-108.1 134.9 36.0 14.3 86.7 113 113 A I E -cd 136 179C 0 22,-1.9 24,-1.9 -2,-0.4 2,-0.4 -0.865 7.5-149.1-118.6 150.5 36.1 16.6 83.6 114 114 A L E -cd 137 180C 0 65,-1.8 67,-2.4 -2,-0.3 2,-0.5 -0.937 3.5-163.1-119.6 140.5 33.5 17.6 81.0 115 115 A D E > -cd 138 181C 2 22,-2.8 24,-2.3 -2,-0.4 3,-0.7 -0.940 10.1-154.5-126.6 107.4 34.1 18.3 77.4 116 116 A L E 3 S+cd 139 182C 0 65,-2.1 67,-0.6 -2,-0.5 24,-0.1 -0.660 80.6 3.3 -82.9 134.1 31.3 20.2 75.6 117 117 A G T 3 S+ 0 0 0 22,-0.6 -1,-0.3 -2,-0.4 23,-0.2 0.939 76.5 177.7 56.9 51.2 31.1 19.7 71.8 118 118 A T X + 0 0 0 21,-1.9 3,-1.6 -3,-0.7 2,-0.5 0.830 10.4 178.0 -55.2 -36.0 34.0 17.2 71.9 119 119 A G T 3 S+ 0 0 0 1,-0.3 30,-0.4 20,-0.3 -1,-0.2 -0.542 71.6 6.3 72.2-120.0 33.7 16.5 68.2 120 120 A T T 3 S- 0 0 0 -2,-0.5 32,-0.3 -31,-0.3 -1,-0.3 0.844 111.3-105.5 -64.3 -29.7 36.4 14.1 67.0 121 121 A G S <> S+ 0 0 0 -3,-1.6 4,-3.1 -4,-0.1 5,-0.3 0.359 74.5 145.5 115.5 5.5 37.2 13.8 70.7 122 122 A A H > + 0 0 1 -4,-0.4 4,-2.3 2,-0.2 5,-0.2 0.875 69.9 30.8 -35.4 -84.3 40.4 15.8 70.4 123 123 A I H > S+ 0 0 1 -5,-0.3 4,-2.3 1,-0.2 5,-0.2 0.913 121.0 51.1 -45.5 -58.9 40.5 17.7 73.7 124 124 A A H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.916 113.0 46.5 -47.8 -52.6 38.8 15.0 75.8 125 125 A L H X S+ 0 0 0 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.918 109.4 51.6 -55.9 -53.6 41.2 12.3 74.4 126 126 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.883 115.8 44.3 -54.2 -40.9 44.4 14.3 74.9 127 127 A L H X S+ 0 0 1 -4,-2.3 4,-3.8 -5,-0.2 -2,-0.2 0.966 108.5 51.6 -69.0 -57.8 43.4 14.9 78.5 128 128 A A H < S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.2 32,-0.2 0.681 112.8 54.3 -54.3 -16.0 42.1 11.4 79.5 129 129 A S H < S+ 0 0 49 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.944 111.9 38.0 -81.6 -59.3 45.5 10.6 78.1 130 130 A E H < S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.903 125.2 41.0 -59.0 -42.8 47.6 12.9 80.3 131 131 A R >< + 0 0 41 -4,-3.8 3,-2.6 1,-0.1 -1,-0.3 -0.609 61.5 165.7-110.7 72.6 45.4 12.3 83.4 132 132 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.496 77.4 65.4 -61.7 -3.3 44.6 8.5 83.4 133 133 A D T 3 S+ 0 0 61 -3,-0.1 2,-0.4 2,-0.0 -5,-0.1 0.274 92.9 77.4-101.0 2.9 43.5 9.2 87.0 134 134 A C S < S- 0 0 0 -3,-2.6 2,-0.8 -24,-0.2 -22,-0.2 -0.946 73.5-135.0-123.6 142.1 40.6 11.3 85.8 135 135 A E E -c 112 0C 81 -24,-1.2 -22,-1.9 -2,-0.4 2,-0.2 -0.828 26.3-168.4 -95.4 111.5 37.2 10.5 84.4 136 136 A I E -ce 113 161C 1 24,-1.8 26,-0.9 -2,-0.8 2,-0.4 -0.642 6.5-157.3 -95.9 154.1 36.5 12.7 81.4 137 137 A I E -ce 114 162C 16 -24,-1.9 -22,-2.8 -2,-0.2 2,-0.5 -0.890 5.8-169.6-140.3 110.0 33.1 13.0 79.8 138 138 A A E -ce 115 163C 0 24,-1.3 26,-2.7 -2,-0.4 2,-0.3 -0.820 7.6-178.7 -99.2 127.8 32.6 14.2 76.2 139 139 A V E -ce 116 164C 1 -24,-2.3 -21,-1.9 -2,-0.5 -22,-0.6 -0.863 2.0-174.8-122.3 158.3 29.2 15.0 74.8 140 140 A D - 0 0 1 24,-1.2 6,-0.1 -2,-0.3 -24,-0.0 -0.992 26.2-141.3-152.4 152.3 28.1 16.1 71.4 141 141 A R S S+ 0 0 115 -2,-0.3 -1,-0.1 24,-0.1 26,-0.1 0.908 86.2 71.3 -80.0 -48.9 24.9 17.2 69.7 142 142 A M S > S- 0 0 61 1,-0.1 4,-1.5 -55,-0.1 3,-0.5 -0.592 76.7-143.6 -73.7 130.5 25.4 15.6 66.3 143 143 A P H > S+ 0 0 63 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.729 99.4 56.3 -64.1 -26.6 25.0 11.8 66.7 144 144 A D H > S+ 0 0 108 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.791 102.4 54.6 -75.7 -32.8 27.7 11.2 64.1 145 145 A A H > S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.893 102.9 57.7 -67.6 -40.1 30.2 13.2 66.1 146 146 A V H X S+ 0 0 9 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.928 109.3 45.5 -56.1 -43.3 29.5 11.0 69.0 147 147 A S H X S+ 0 0 56 -4,-1.2 4,-4.0 2,-0.2 5,-0.2 0.919 109.3 50.9 -68.0 -47.7 30.5 8.0 66.9 148 148 A L H X S+ 0 0 14 -4,-2.4 4,-2.5 1,-0.2 -65,-0.2 0.938 113.0 51.0 -54.1 -42.2 33.7 9.4 65.4 149 149 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -30,-0.4 -2,-0.2 0.895 113.0 42.8 -60.4 -45.1 34.5 10.3 69.1 150 150 A Q H X S+ 0 0 94 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.895 111.9 55.6 -69.4 -40.5 33.8 6.7 70.2 151 151 A R H X S+ 0 0 127 -4,-4.0 4,-2.4 2,-0.2 -2,-0.2 0.884 110.7 44.2 -58.7 -42.0 35.6 5.3 67.2 152 152 A N H X S+ 0 0 0 -4,-2.5 4,-3.3 -32,-0.3 5,-0.3 0.961 110.1 55.5 -66.9 -51.4 38.8 7.3 68.1 153 153 A A H X>S+ 0 0 16 -4,-2.3 4,-1.1 -5,-0.2 5,-1.0 0.880 112.3 44.4 -47.7 -44.3 38.5 6.3 71.7 154 154 A Q H ><5S+ 0 0 157 -4,-2.5 3,-1.7 2,-0.2 -2,-0.2 0.996 113.6 46.7 -65.7 -64.7 38.4 2.7 70.7 155 155 A H H 3<5S+ 0 0 109 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.849 116.1 47.8 -44.3 -41.1 41.2 2.8 68.2 156 156 A L H 3<5S- 0 0 33 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.2 0.670 101.1-134.7 -77.1 -20.7 43.3 4.8 70.8 157 157 A A T <<5 + 0 0 71 -3,-1.7 2,-0.6 -4,-1.1 -3,-0.2 0.578 50.9 148.8 76.3 11.1 42.6 2.4 73.7 158 158 A I < + 0 0 24 -5,-1.0 -1,-0.3 -6,-0.2 3,-0.2 -0.677 16.7 172.8 -78.4 120.4 41.8 5.2 76.1 159 159 A K + 0 0 168 -2,-0.6 2,-0.4 1,-0.2 -1,-0.1 0.610 59.6 78.7-107.2 -11.3 39.2 3.9 78.6 160 160 A N S S+ 0 0 23 -32,-0.2 -24,-1.8 -25,-0.1 2,-0.3 -0.152 84.2 83.3 -89.6 41.3 39.0 6.7 81.2 161 161 A I E -e 136 0C 11 -2,-0.4 2,-0.4 -3,-0.2 -24,-0.2 -0.972 60.0-161.1-140.0 149.1 36.8 8.7 78.8 162 162 A H E -e 137 0C 82 -26,-0.9 -24,-1.3 -2,-0.3 2,-0.4 -0.945 6.3-150.7-142.0 119.3 33.0 8.5 78.2 163 163 A I E +e 138 0C 28 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.715 20.4 167.4 -94.7 136.2 31.1 9.8 75.1 164 164 A L E -e 139 0C 60 -26,-2.7 -24,-1.2 -2,-0.4 2,-0.3 -0.817 33.8-125.7-133.4 172.7 27.4 11.0 75.3 165 165 A Q + 0 0 108 -26,-0.3 2,-0.2 -2,-0.3 -24,-0.1 -0.605 49.0 141.4-125.4 73.1 25.0 12.9 73.0 166 166 A S - 0 0 5 -2,-0.3 2,-0.9 2,-0.1 -49,-0.1 -0.563 57.7-114.6-105.9 171.6 23.5 15.9 74.8 167 167 A D S > S- 0 0 94 -2,-0.2 2,-2.1 -26,-0.1 3,-1.5 -0.876 84.4 -57.0-105.6 95.4 22.7 19.4 73.7 168 168 A W T 3 S- 0 0 16 -2,-0.9 -2,-0.1 1,-0.3 -51,-0.1 -0.438 127.1 -10.8 66.0 -77.0 25.2 21.2 75.9 169 169 A F T >> S+ 0 0 30 -2,-2.1 3,-1.7 2,-0.1 4,-0.7 0.591 97.5 110.4-127.8 -12.9 24.0 19.8 79.3 170 170 A S G X4 S+ 0 0 75 -3,-1.5 3,-1.3 1,-0.3 -2,-0.1 0.807 91.2 37.3 -28.5 -61.8 20.6 18.0 78.7 171 171 A A G 34 S+ 0 0 57 1,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.780 108.2 65.5 -69.3 -24.7 22.1 14.6 79.3 172 172 A L G X4 + 0 0 8 -3,-1.7 3,-1.2 2,-0.0 2,-0.3 0.508 69.1 154.5 -75.3 -1.7 24.4 15.8 82.1 173 173 A A T << S+ 0 0 93 -3,-1.3 -3,-0.1 -4,-0.7 -1,-0.0 0.062 70.7 9.9 -31.1 82.3 21.3 16.7 84.2 174 174 A G T 3 S+ 0 0 80 1,-0.3 2,-0.3 -2,-0.3 -1,-0.3 0.693 96.0 113.5 117.0 24.4 22.8 16.5 87.7 175 175 A Q < - 0 0 76 -3,-1.2 2,-0.4 2,-0.0 -1,-0.3 -0.899 41.2-157.8-126.0 157.0 26.5 16.2 87.5 176 176 A Q - 0 0 102 -2,-0.3 2,-0.3 52,-0.0 52,-0.2 -0.966 9.6-162.4-138.1 123.1 29.4 18.5 88.6 177 177 A F E - f 0 228C 0 50,-1.8 52,-1.7 -2,-0.4 -64,-0.2 -0.724 27.2-128.0-107.4 153.0 32.9 18.4 87.3 178 178 A A E S+ 0 0 19 -66,-1.8 55,-1.0 -2,-0.3 2,-0.3 0.885 98.7 12.5 -59.0 -44.2 36.2 19.8 88.6 179 179 A M E -df 113 233C 1 -67,-0.9 -65,-1.8 53,-0.2 2,-0.5 -0.997 65.9-156.8-138.5 140.7 36.9 21.5 85.2 180 180 A I E -df 114 234C 0 53,-2.2 55,-2.0 -2,-0.3 2,-0.3 -0.954 15.9-174.6-123.2 114.1 34.7 22.1 82.2 181 181 A V E +df 115 235C 0 -67,-2.4 -65,-2.1 -2,-0.5 2,-0.2 -0.788 7.5 166.1-107.6 148.1 36.4 22.6 78.8 182 182 A S E -df 116 236C 0 53,-1.8 55,-1.5 -2,-0.3 -65,-0.1 -0.798 30.0-169.6-169.5 126.0 34.8 23.5 75.5 183 183 A N + 0 0 1 -67,-0.6 55,-0.1 -2,-0.2 3,-0.1 -0.845 36.1 176.9-106.9 88.6 35.7 24.8 72.0 184 184 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 25,-0.1 -0.308 43.7 -70.9 -88.6 178.4 32.2 25.6 70.7 185 185 A P + 0 0 1 0, 0.0 32,-0.4 0, 0.0 31,-0.3 -0.494 55.9 165.3 -66.8 134.9 31.3 27.0 67.4 186 186 A Y + 0 0 3 21,-0.6 2,-0.3 20,-0.2 53,-0.3 0.095 30.6 114.1-141.3 28.2 32.4 30.7 67.4 187 187 A I B -i 208 0D 0 20,-1.8 22,-2.2 17,-0.1 26,-0.4 -0.786 68.5-113.4-101.4 144.9 32.2 31.8 63.8 188 188 A D > - 0 0 51 -2,-0.3 3,-1.3 24,-0.3 6,-0.2 -0.476 28.9-114.6 -73.1 148.1 29.8 34.5 62.6 189 189 A E T 3 S+ 0 0 88 20,-0.3 -1,-0.1 1,-0.3 19,-0.1 0.687 115.6 30.8 -56.9 -15.6 27.2 33.1 60.2 190 190 A Q T 3 S+ 0 0 166 4,-0.0 -1,-0.3 5,-0.0 -2,-0.0 -0.270 76.4 145.9-142.9 53.8 28.8 35.4 57.7 191 191 A D X> - 0 0 32 -3,-1.3 3,-0.8 1,-0.1 4,-0.7 -0.723 56.7-121.7 -87.2 140.7 32.5 35.8 58.4 192 192 A P H 3> S+ 0 0 86 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.643 108.6 67.2 -59.8 -11.6 34.5 36.2 55.2 193 193 A H H >4 S+ 0 0 38 1,-0.2 3,-1.0 2,-0.2 6,-0.0 0.945 86.5 64.0 -72.7 -46.7 36.6 33.1 56.2 194 194 A L H <4 S+ 0 0 33 -3,-0.8 -1,-0.2 1,-0.3 -5,-0.0 0.842 99.6 62.0 -42.2 -31.3 33.6 30.8 55.8 195 195 A Q H 3< S+ 0 0 139 -4,-0.7 -1,-0.3 5,-0.0 -2,-0.2 0.933 109.3 31.3 -60.1 -52.2 34.0 32.0 52.3 196 196 A Q S << S+ 0 0 120 -3,-1.0 3,-0.2 -4,-0.8 2,-0.0 -0.537 89.4 34.8-109.3 171.0 37.5 30.6 51.7 197 197 A G S > S- 0 0 32 1,-0.2 3,-1.2 -2,-0.2 4,-0.2 -0.200 100.8 -53.0 86.5-176.2 39.8 27.7 52.7 198 198 A D G > S+ 0 0 15 277,-0.6 3,-3.0 1,-0.3 4,-0.3 0.841 121.4 84.8 -66.6 -28.9 39.3 24.1 53.5 199 199 A V G 3 S+ 0 0 4 1,-0.3 -1,-0.3 2,-0.2 3,-0.3 0.464 70.9 76.3 -53.4 1.2 36.7 25.5 55.9 200 200 A R G < S+ 0 0 135 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.847 96.8 45.7 -79.9 -33.6 34.3 25.5 52.9 201 201 A F S < S+ 0 0 69 -3,-3.0 -2,-0.2 -4,-0.2 -1,-0.2 0.283 94.3 97.5 -90.3 7.9 33.9 21.7 53.4 202 202 A E S S- 0 0 10 -4,-0.3 -113,-0.1 -3,-0.3 -115,-0.1 -0.751 81.9 -97.3 -99.4 149.0 33.5 21.8 57.1 203 203 A P - 0 0 23 0, 0.0 3,-0.5 0, 0.0 4,-0.4 -0.263 11.5-145.2 -64.0 145.5 30.0 21.7 58.8 204 204 A L S > S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -17,-0.1 0.752 97.7 75.8 -78.1 -26.0 28.3 24.8 60.0 205 205 A T T 4 S+ 0 0 41 1,-0.3 -1,-0.2 2,-0.2 -64,-0.1 0.799 112.3 25.9 -53.3 -28.8 26.9 22.6 62.9 206 206 A A T 4 S+ 0 0 1 -3,-0.5 -1,-0.3 -118,-0.1 -20,-0.2 0.457 126.7 48.0-114.9 -7.7 30.4 23.0 64.2 207 207 A L T 4 S+ 0 0 3 -4,-0.4 -20,-1.8 -22,-0.2 -21,-0.6 0.872 97.1 65.3-100.5 -47.8 31.4 26.3 62.6 208 208 A V B < +i 187 0D 30 -4,-2.0 2,-0.3 -22,-0.2 -20,-0.2 -0.688 47.8 176.6 -93.7 127.2 28.6 28.8 63.2 209 209 A A > - 0 0 2 -22,-2.2 4,-0.9 -2,-0.5 -20,-0.3 -0.718 32.1-117.5-109.5 161.8 27.4 30.2 66.5 210 210 A A H >>S+ 0 0 46 -2,-0.3 5,-4.1 3,-0.2 4,-1.6 -0.217 85.7 58.3 -94.0-171.1 24.7 32.8 66.4 211 211 A D H 45S- 0 0 132 3,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.914 142.2 -43.2 55.0 45.0 24.6 36.4 67.6 212 212 A S H 45S- 0 0 78 1,-0.2 -24,-0.3 -3,-0.2 -1,-0.2 0.934 116.4 -47.7 66.4 47.2 27.4 37.2 65.2 213 213 A G H <5S+ 0 0 0 -4,-0.9 -2,-0.2 -26,-0.4 -1,-0.2 0.553 129.0 90.3 72.3 12.7 29.3 34.0 66.1 214 214 A M T X5 + 0 0 51 -4,-1.6 4,-1.5 -3,-0.3 5,-0.2 0.530 50.9 97.9-115.0 -9.5 28.9 34.6 69.9 215 215 A A H > S+ 0 0 34 -31,-0.3 4,-1.6 2,-0.2 5,-0.2 0.919 107.3 59.4 -72.0 -47.1 27.1 29.4 72.1 217 217 A I H > S+ 0 0 1 -32,-0.4 4,-2.1 1,-0.2 3,-0.3 0.922 113.1 40.6 -46.7 -51.9 30.1 30.7 74.0 218 218 A V H X S+ 0 0 39 -4,-1.5 4,-2.4 1,-0.2 5,-0.2 0.947 108.4 57.3 -64.5 -53.2 27.9 32.8 76.2 219 219 A H H X S+ 0 0 62 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.758 111.4 48.4 -51.0 -24.9 25.0 30.3 76.7 220 220 A I H X S+ 0 0 0 -4,-1.6 4,-4.0 -3,-0.3 5,-0.3 0.932 106.3 50.4 -83.2 -51.7 27.7 27.9 78.0 221 221 A I H X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.837 114.8 50.4 -55.5 -29.6 29.5 30.2 80.5 222 222 A E H >< S+ 0 0 83 -4,-2.4 3,-0.6 -5,-0.2 4,-0.4 0.970 117.8 35.8 -70.0 -55.5 25.9 30.9 81.7 223 223 A Q H >< S+ 0 0 84 -4,-1.7 3,-1.1 -5,-0.2 -2,-0.2 0.942 103.0 71.6 -62.6 -52.5 25.0 27.2 82.0 224 224 A S H >< S+ 0 0 0 -4,-4.0 3,-2.0 1,-0.2 4,-0.5 0.770 84.6 74.2 -34.7 -39.7 28.4 26.0 83.2 225 225 A R G X< S+ 0 0 81 -4,-0.7 3,-1.8 -3,-0.6 2,-0.5 0.918 90.1 52.4 -42.6 -64.1 27.7 27.7 86.5 226 226 A N G < S+ 0 0 140 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.235 114.6 45.6 -63.5 19.9 25.2 25.1 87.8 227 227 A A G < S+ 0 0 5 -3,-2.0 -50,-1.8 -2,-0.5 2,-0.4 0.383 83.6 101.1-144.0 3.4 27.7 22.3 87.1 228 228 A L E < -f 177 0C 9 -3,-1.8 3,-0.2 -4,-0.5 -50,-0.2 -0.809 65.4-127.5 -99.0 133.8 31.2 23.4 88.4 229 229 A V E > - 0 0 58 -52,-1.7 3,-3.1 -2,-0.4 46,-0.2 -0.226 61.4 -48.5 -68.3 166.9 32.5 22.1 91.7 230 230 A S E 3 S- 0 0 111 1,-0.3 -1,-0.2 46,-0.1 46,-0.2 -0.086 126.4 -15.3 -40.6 111.9 33.8 24.6 94.3 231 231 A G E 3 S+ 0 0 4 44,-1.3 -1,-0.3 -3,-0.2 45,-0.2 0.735 96.9 157.6 61.6 21.6 36.1 27.1 92.5 232 232 A G E < - 0 0 6 -3,-3.1 43,-0.7 43,-0.2 2,-0.2 -0.333 38.5-112.1 -72.2 163.0 36.3 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59.9 -42.2 -59.4 100.9 -0.8 78.5 285 10 B E H 3<5S+ 0 0 96 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.331 112.3 44.7 -58.6 12.4 103.0 -1.4 81.6 286 11 B R H <>5S+ 0 0 148 -3,-2.0 4,-3.2 -5,-0.1 -1,-0.3 0.608 118.1 39.1-119.2 -50.4 100.1 0.5 83.2 287 12 B H H X5S+ 0 0 63 -4,-1.9 4,-3.5 2,-0.3 5,-0.4 0.999 113.9 51.4 -64.6 -67.5 97.2 -1.2 81.5 288 13 B E H X5S+ 0 0 54 -4,-1.8 4,-1.5 1,-0.3 -1,-0.2 0.815 116.5 47.9 -38.7 -30.1 98.6 -4.7 81.6 289 14 B E H >X S+ 0 0 116 -4,-2.8 4,-1.1 1,-0.2 3,-0.7 0.890 115.8 41.0 -52.4 -48.4 94.7 -5.5 89.1 294 19 B L H 3X S+ 0 0 6 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.879 101.4 67.0 -72.5 -40.6 91.1 -5.6 88.0 295 20 B G H 3< S+ 0 0 21 -4,-3.7 -1,-0.2 1,-0.2 -2,-0.2 0.588 104.1 52.6 -58.0 -6.6 91.1 -9.3 87.0 296 21 B D H X4 S+ 0 0 90 -3,-0.7 3,-2.4 -4,-0.4 -1,-0.2 0.917 99.3 52.1 -93.0 -63.8 91.5 -9.8 90.8 297 22 B A H >< S+ 0 0 47 -4,-1.1 3,-1.3 1,-0.3 -2,-0.2 0.805 100.3 72.2 -44.5 -28.3 88.7 -7.8 92.5 298 23 B Q T 3< S+ 0 0 48 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.247 93.5 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-1.2 85.6 309 38 B L H X S+ 0 0 54 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.923 115.0 50.3 -67.8 -47.0 84.0 -3.0 86.9 310 39 B S H X S+ 0 0 38 -4,-2.4 4,-1.8 1,-0.2 3,-0.3 0.930 109.0 53.2 -58.1 -46.3 83.4 -6.2 85.0 311 40 B R H X S+ 0 0 153 -4,-3.0 4,-0.8 1,-0.2 -1,-0.2 0.864 102.0 58.1 -57.5 -39.5 82.9 -4.3 81.8 312 41 B E H >X S+ 0 0 71 -4,-1.5 4,-2.8 1,-0.2 3,-1.1 0.918 104.6 52.9 -57.4 -41.7 86.2 -2.5 82.2 313 42 B Y H 3X S+ 0 0 84 -4,-1.6 4,-1.5 -3,-0.3 -1,-0.2 0.942 101.2 57.7 -57.4 -49.4 87.8 -5.9 82.2 314 43 B A H 3< S+ 0 0 67 -4,-1.8 4,-0.3 2,-0.2 -1,-0.3 0.717 114.9 42.3 -53.5 -19.7 86.1 -6.7 78.9 315 44 B Q H XX S+ 0 0 89 -3,-1.1 3,-1.7 -4,-0.8 4,-1.0 0.918 110.2 48.4 -90.5 -67.5 87.9 -3.6 77.8 316 45 B L H 3X S+ 0 0 17 -4,-2.8 4,-1.4 1,-0.3 -2,-0.2 0.593 100.8 77.0 -52.4 -7.8 91.4 -3.9 79.3 317 46 B S H 3X S+ 0 0 41 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.3 0.870 94.7 39.8 -75.7 -39.1 91.4 -7.5 78.0 318 47 B D H <> S+ 0 0 95 -3,-1.7 4,-0.9 -4,-0.3 -2,-0.2 0.959 118.5 47.1 -74.3 -47.7 92.0 -6.8 74.3 319 48 B V H X S+ 0 0 34 -4,-1.0 4,-1.4 1,-0.2 3,-0.3 0.853 116.7 46.2 -58.0 -38.8 94.6 -4.1 74.9 320 49 B S H X S+ 0 0 7 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.892 102.3 61.8 -72.3 -43.2 96.3 -6.3 77.5 321 50 B R H < S+ 0 0 136 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.717 107.5 47.9 -58.9 -20.2 96.3 -9.5 75.4 322 51 B C H >X S+ 0 0 42 -4,-0.9 3,-1.5 -3,-0.3 4,-1.4 0.936 107.2 50.2 -86.2 -52.6 98.5 -7.6 72.9 323 52 B F H 3X S+ 0 0 15 -4,-1.4 4,-1.4 1,-0.3 2,-0.8 0.930 101.2 65.6 -48.5 -49.7 101.1 -6.1 75.2 324 53 B T H 3< S+ 0 0 51 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.1 0.221 108.7 42.5 -61.6 21.9 101.6 -9.5 76.7 325 54 B D H <> S+ 0 0 82 -3,-1.5 4,-1.3 -2,-0.8 -1,-0.2 0.541 97.1 63.1-134.7 -40.3 102.9 -10.5 73.3 326 55 B W H < S+ 0 0 142 -4,-1.4 -2,-0.2 -3,-0.4 -3,-0.1 0.763 116.5 44.9 -59.2 -17.5 105.1 -7.7 72.1 327 56 B Q T < S+ 0 0 115 -4,-1.4 -1,-0.2 -5,-0.3 -3,-0.1 0.798 109.4 49.5 -91.7 -38.7 106.8 -9.1 75.2 328 57 B Q T 4 0 0 165 -5,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.429 360.0 360.0 -81.3 0.6 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