==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-AUG-04 1W5R . COMPND 2 MOLECULE: ARYLAMINE N-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR S.J.HOLTON,J.SANDY,F.RODRIGUES-LIMA,J.-M.DUPRET,S.BHAKTA, . 546 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 24.5 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 . 10 1.8 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 . 42 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.4 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 1 3 2 0 2 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 6 4 0 2 6 3 2 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 2 0 0 0 1 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 3 A M 0 0 115 0, 0.0 2,-1.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-176.5 96.3 5.0 7.2 2 4 A D > + 0 0 78 1,-0.2 4,-1.6 2,-0.1 5,-0.1 -0.567 360.0 148.5 -89.8 70.7 98.9 6.2 4.6 3 5 A L H > + 0 0 6 -2,-1.4 4,-3.4 2,-0.2 5,-0.2 0.850 68.4 62.2 -70.8 -33.9 101.1 8.0 7.1 4 6 A G H > S+ 0 0 44 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.883 103.7 49.0 -54.8 -42.7 104.1 7.2 4.9 5 7 A G H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.932 114.0 45.7 -62.1 -46.9 102.5 9.3 2.2 6 8 A Y H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.930 112.3 49.9 -63.3 -45.8 101.9 12.2 4.7 7 9 A L H <>S+ 0 0 8 -4,-3.4 5,-3.2 1,-0.2 4,-0.4 0.889 112.5 47.3 -63.1 -41.9 105.4 12.0 6.2 8 10 A T H ><5S+ 0 0 113 -4,-2.2 3,-1.1 -5,-0.2 -1,-0.2 0.911 108.3 56.6 -60.7 -45.0 107.0 12.0 2.7 9 11 A R H 3<5S+ 0 0 45 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.860 113.0 40.4 -53.6 -41.1 104.8 15.0 1.7 10 12 A I T 3<5S- 0 0 2 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.389 120.1-106.3 -95.6 4.0 106.1 17.0 4.7 11 13 A G T < 5S+ 0 0 63 -3,-1.1 2,-0.3 -4,-0.4 -3,-0.2 0.765 79.3 118.9 81.0 26.4 109.7 15.9 4.3 12 14 A L < - 0 0 50 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.3 -0.751 44.3-154.2-112.3 165.1 110.0 13.5 7.3 13 15 A D + 0 0 149 -2,-0.3 -9,-0.0 -3,-0.1 0, 0.0 -0.980 47.9 15.7-140.6 155.8 110.8 9.7 7.3 14 16 A G S S- 0 0 55 -2,-0.3 -2,-0.0 1,-0.1 -1,-0.0 0.200 97.6 -53.8 69.1 165.7 110.1 6.7 9.5 15 17 A R - 0 0 156 -3,-0.0 2,-0.2 -8,-0.0 -1,-0.1 -0.655 57.0-150.1 -77.2 109.6 107.5 6.4 12.3 16 18 A P - 0 0 27 0, 0.0 -2,-0.0 0, 0.0 -4,-0.0 -0.541 19.6-111.3 -78.4 152.9 108.0 9.3 14.8 17 19 A R - 0 0 172 -2,-0.2 2,-2.0 1,-0.1 5,-0.2 -0.472 28.5-106.7 -79.9 150.4 107.1 8.8 18.4 18 20 A P S S+ 0 0 30 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.461 76.7 119.4 -76.7 71.1 104.1 10.6 20.1 19 21 A D S > S- 0 0 37 -2,-2.0 4,-1.9 96,-0.1 3,-0.2 -0.777 79.0 -98.2-127.4 173.7 106.2 13.0 22.1 20 22 A L H > S+ 0 0 60 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.881 119.5 56.0 -61.6 -41.5 106.5 16.8 22.4 21 23 A G H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 108.5 48.4 -56.0 -42.5 109.6 16.9 20.2 22 24 A T H > S+ 0 0 18 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.896 106.9 56.2 -65.3 -41.7 107.8 15.1 17.4 23 25 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.928 109.7 45.9 -58.7 -45.6 104.8 17.5 17.7 24 26 A H H X S+ 0 0 74 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.926 113.9 48.6 -60.4 -45.9 107.1 20.5 17.1 25 27 A A H X S+ 0 0 47 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.906 111.9 48.3 -64.2 -42.1 108.9 18.8 14.2 26 28 A I H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 5,-0.2 0.929 110.6 50.4 -66.0 -45.7 105.6 17.8 12.5 27 29 A V H X S+ 0 0 1 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.940 113.3 46.8 -57.4 -46.8 104.1 21.3 12.8 28 30 A A H X S+ 0 0 10 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.902 114.5 46.0 -63.5 -41.1 107.2 22.9 11.3 29 31 A A H X S+ 0 0 1 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.919 113.8 48.4 -69.5 -42.3 107.4 20.4 8.5 30 32 A H H >X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 3,-0.7 0.941 107.5 57.6 -60.0 -46.0 103.7 20.7 7.7 31 33 A N H 3< S+ 0 0 8 -4,-2.8 180,-1.9 1,-0.3 -1,-0.2 0.860 114.3 36.2 -51.7 -45.0 104.0 24.5 7.8 32 34 A R H 3< S+ 0 0 106 -4,-1.5 -1,-0.3 178,-0.2 -2,-0.2 0.612 122.3 43.2 -87.7 -13.3 106.6 24.6 5.0 33 35 A S H << S+ 0 0 31 -4,-1.2 -2,-0.2 -3,-0.7 -3,-0.2 0.765 106.7 47.3-106.4 -34.9 105.3 21.7 2.9 34 36 A I S < S- 0 0 4 -4,-2.3 -1,-0.2 -5,-0.2 31,-0.1 -0.956 77.7-145.6-117.3 112.0 101.5 21.9 2.5 35 37 A P - 0 0 2 0, 0.0 31,-1.5 0, 0.0 2,-0.4 -0.358 16.2-113.4 -76.5 155.5 100.3 25.4 1.6 36 38 A F E +aB 66 209A 8 173,-2.3 173,-2.4 29,-0.2 2,-0.3 -0.711 51.7 156.8 -72.3 132.3 97.0 27.1 2.6 37 39 A E E - B 0 208A 0 29,-2.0 171,-0.2 -2,-0.4 3,-0.1 -0.967 38.3-164.4-156.2 153.3 94.9 27.5 -0.5 38 40 A N > + 0 0 0 169,-0.9 4,-2.2 -2,-0.3 5,-0.2 -0.144 45.5 130.3-124.4 36.3 91.2 27.9 -1.4 39 41 A L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 6,-0.2 0.870 71.5 57.4 -60.5 -34.4 91.2 27.1 -5.1 40 42 A D H >4>S+ 0 0 14 2,-0.2 5,-2.9 1,-0.2 3,-0.7 0.988 111.2 38.3 -61.9 -60.4 88.3 24.6 -4.7 41 43 A P H >45S+ 0 0 3 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.869 113.4 58.5 -59.4 -34.4 85.8 27.1 -3.2 42 44 A L H 3<5S+ 0 0 4 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.893 109.7 44.2 -55.9 -38.5 87.1 29.8 -5.5 43 45 A L T <<5S- 0 0 30 -4,-1.9 -1,-0.3 -3,-0.7 -3,-0.1 0.230 126.5 -99.6 -94.0 10.9 86.2 27.6 -8.4 44 46 A G T < 5S+ 0 0 62 -3,-1.5 -2,-0.1 1,-0.2 -4,-0.1 0.665 81.3 133.7 80.4 17.2 82.8 26.6 -7.0 45 47 A I < - 0 0 36 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.889 51.0-136.8 -99.8 110.3 83.9 23.2 -5.6 46 48 A P - 0 0 48 0, 0.0 2,-0.7 0, 0.0 3,-0.2 -0.233 5.9-135.2 -61.4 155.3 82.7 22.8 -2.0 47 49 A V + 0 0 6 144,-0.4 148,-0.2 1,-0.1 147,-0.1 -0.898 53.6 140.7-108.1 91.7 84.9 21.5 0.8 48 50 A A + 0 0 44 -2,-0.7 2,-0.6 1,-0.2 144,-0.2 0.682 45.3 67.1-108.3 -28.8 82.2 19.2 2.2 49 51 A D + 0 0 86 -3,-0.2 -1,-0.2 1,-0.1 0, 0.0 -0.894 44.5 173.2-113.0 111.8 83.9 15.9 3.2 50 52 A L + 0 0 5 -2,-0.6 -1,-0.1 4,-0.1 2,-0.0 0.066 36.1 130.5-107.0 22.0 86.4 16.0 6.1 51 53 A S S > S- 0 0 19 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.321 71.7-113.2 -65.3 156.8 87.0 12.3 6.3 52 54 A A H > S+ 0 0 16 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.903 117.0 56.5 -57.8 -42.1 90.6 11.0 6.4 53 55 A E H > S+ 0 0 169 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.932 110.7 42.8 -55.8 -48.2 90.1 9.4 3.0 54 56 A A H > S+ 0 0 27 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 116.9 46.0 -65.7 -44.6 89.1 12.7 1.4 55 57 A L H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 5,-0.4 0.894 114.1 46.1 -73.1 -39.5 91.8 14.8 3.1 56 58 A F H X>S+ 0 0 14 -4,-2.9 5,-2.1 -5,-0.2 4,-1.8 0.930 111.3 54.6 -63.8 -43.3 94.7 12.5 2.5 57 59 A A H <>S+ 0 0 30 -4,-2.0 5,-1.4 -5,-0.4 -2,-0.2 0.926 118.7 32.3 -57.8 -45.5 93.6 12.1 -1.1 58 60 A K H <5S+ 0 0 10 -4,-2.0 6,-1.7 3,-0.2 4,-0.3 0.962 126.5 34.5 -78.0 -54.5 93.7 15.8 -1.8 59 61 A L H <5S+ 0 0 0 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.710 133.6 23.2 -81.5 -20.6 96.4 17.3 0.4 60 62 A V T ><5S+ 0 0 8 -4,-1.8 3,-0.8 -5,-0.4 -3,-0.2 0.805 128.2 34.7-104.9 -64.7 98.8 14.3 0.2 61 63 A D T 3 > - 0 0 0 -2,-0.3 4,-2.7 -31,-0.2 3,-0.8 -0.286 60.9 -63.0-104.8-165.8 92.1 25.6 4.0 68 70 A Q H 3> S+ 0 0 7 1,-0.3 4,-2.2 2,-0.2 5,-0.4 0.839 130.8 44.9 -53.4 -45.9 91.6 25.5 7.8 69 71 A Y H 3> S+ 0 0 4 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.822 116.2 47.4 -67.9 -30.9 89.3 22.4 7.9 70 72 A E H <> S+ 0 0 5 -3,-0.8 4,-2.5 3,-0.2 -2,-0.2 0.919 114.3 45.7 -76.1 -45.4 91.5 20.4 5.5 71 73 A H H X S+ 0 0 2 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.965 120.7 35.3 -61.6 -57.2 94.8 21.3 7.2 72 74 A N H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.811 115.8 56.6 -74.2 -27.3 93.8 20.6 10.8 73 75 A G H X S+ 0 0 7 -4,-1.0 4,-2.0 -5,-0.4 -1,-0.2 0.976 111.1 43.8 -62.2 -52.8 91.5 17.8 9.8 74 76 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.926 115.3 47.0 -56.5 -51.0 94.4 16.1 8.1 75 77 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.876 107.3 59.1 -63.0 -35.8 96.9 16.8 11.0 76 78 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.929 108.5 43.7 -55.5 -48.3 94.3 15.6 13.5 77 79 A Y H X S+ 0 0 27 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.917 114.0 51.3 -63.9 -43.1 94.1 12.1 11.8 78 80 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.931 111.0 46.6 -61.1 -47.5 97.9 12.0 11.5 79 81 A L H X>S+ 0 0 0 -4,-3.0 5,-2.3 1,-0.2 4,-0.8 0.899 112.2 50.9 -66.1 -41.0 98.5 12.8 15.2 80 82 A E H ><5S+ 0 0 88 -4,-2.1 3,-0.9 -5,-0.2 -1,-0.2 0.906 109.1 51.1 -55.3 -47.3 95.9 10.3 16.4 81 83 A E H 3<5S+ 0 0 76 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.889 108.0 53.0 -62.7 -37.3 97.5 7.6 14.3 82 84 A L H 3<5S- 0 0 9 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.623 128.0 -94.2 -75.3 -15.1 100.9 8.4 15.8 83 85 A G T <<5S+ 0 0 40 -3,-0.9 -3,-0.2 -4,-0.8 -2,-0.1 0.369 80.5 129.9 118.1 -2.7 99.5 8.0 19.4 84 86 A F < - 0 0 8 -5,-2.3 2,-0.5 -6,-0.1 -1,-0.4 -0.436 59.9-119.4 -73.0 155.4 98.6 11.6 20.4 85 87 A E E -L 114 0B 86 29,-2.5 29,-2.9 -2,-0.1 2,-0.4 -0.890 37.7-168.3 -98.3 126.8 95.2 12.3 22.0 86 88 A V E -L 113 0B 9 -2,-0.5 2,-0.4 27,-0.2 27,-0.2 -0.958 19.1-175.3-127.0 127.5 93.4 14.8 19.8 87 89 A E E -L 112 0B 58 25,-2.6 25,-2.8 -2,-0.4 2,-0.5 -0.962 23.4-135.6-113.1 139.1 90.2 16.8 20.2 88 90 A R E -L 111 0B 37 -2,-0.4 94,-2.9 94,-0.3 2,-0.3 -0.841 25.1-169.6 -93.7 124.2 88.9 18.9 17.3 89 91 A L E -L 110 0B 0 21,-3.2 21,-2.1 -2,-0.5 2,-0.3 -0.792 10.9-143.1-111.7 158.1 87.8 22.4 18.3 90 92 A S E +L 109 0B 8 90,-0.4 88,-1.0 88,-0.3 2,-0.3 -0.849 21.0 177.4-114.3 155.4 85.9 25.1 16.4 91 93 A G E -LM 108 177B 3 17,-1.9 17,-2.3 -2,-0.3 16,-1.4 -0.937 28.0-117.5-151.1 173.8 86.3 28.9 16.5 92 94 A R E -LM 106 176B 65 84,-2.3 84,-2.7 -2,-0.3 2,-0.5 -0.947 31.0-125.5-118.3 132.0 85.3 32.3 15.2 93 95 A V E + M 0 175B 41 12,-0.6 82,-0.3 -2,-0.4 12,-0.1 -0.680 32.8 167.2 -86.8 124.2 87.7 34.5 13.3 94 96 A V > + 0 0 33 80,-1.6 3,-2.3 -2,-0.5 81,-0.2 0.298 22.4 146.5-114.7 7.2 88.0 38.0 14.8 95 97 A W T 3 S- 0 0 91 79,-1.3 79,-0.1 1,-0.3 3,-0.1 -0.240 81.1 -12.8 -56.6 122.0 91.1 39.1 12.9 96 98 A M T 3 S+ 0 0 149 77,-0.5 -1,-0.3 1,-0.2 2,-0.3 0.595 98.6 146.3 61.9 15.0 91.0 42.8 12.1 97 99 A R < - 0 0 118 -3,-2.3 -1,-0.2 76,-0.2 -3,-0.0 -0.595 54.9-102.6 -80.5 143.0 87.4 43.0 13.1 98 100 A A > - 0 0 61 -2,-0.3 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41.8 -4.3 236 238 A R E -EF 223 506A 99 270,-3.0 270,-1.9 -2,-0.6 -13,-0.2 -0.901 10.1-147.1-108.0 110.5 102.0 43.0 -6.7 237 239 A F E - F 0 505A 9 -15,-2.9 268,-0.2 -2,-0.7 -15,-0.1 -0.474 8.0-139.9 -76.4 144.8 101.5 40.8 -9.7 238 240 A D S S- 0 0 60 266,-2.6 2,-0.2 -2,-0.2 -1,-0.1 0.874 73.3 -10.1 -69.5 -39.7 100.4 42.3 -13.0 239 241 A S S > S- 0 0 47 265,-0.3 4,-1.6 -17,-0.1 3,-0.5 -0.877 78.5 -81.8-152.6 174.4 97.9 39.7 -14.1 240 242 A A H > S+ 0 0 8 -2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.818 118.1 62.7 -58.2 -35.1 96.4 36.2 -13.5 241 243 A A H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 105.1 44.9 -60.3 -42.7 99.3 34.5 -15.4 242 244 A Q H > S+ 0 0 54 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.867 112.6 52.7 -67.6 -36.9 101.9 35.7 -12.9 243 245 A V H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.954 110.2 47.8 -61.7 -49.7 99.6 34.7 -10.0 244 246 A L H X S+ 0 0 27 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.876 109.3 53.3 -59.0 -39.4 99.3 31.2 -11.5 245 247 A D H X>S+ 0 0 90 -4,-2.2 4,-2.9 -5,-0.2 5,-0.5 0.916 110.2 48.0 -60.7 -42.1 103.0 31.0 -11.9 246 248 A A H X>S+ 0 0 1 -4,-2.2 5,-2.4 3,-0.2 4,-1.9 0.930 109.6 53.4 -62.6 -44.4 103.4 31.9 -8.2 247 249 A I H <5S+ 0 0 0 -4,-2.7 6,-2.1 3,-0.2 -2,-0.2 0.921 118.4 34.7 -56.4 -46.1 100.8 29.3 -7.3 248 250 A V H <5S+ 0 0 56 -4,-2.3 4,-0.3 4,-0.2 -2,-0.2 0.930 132.1 25.1 -76.1 -46.2 102.6 26.5 -9.1 249 251 A N H <5S+ 0 0 119 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.750 129.0 35.8-101.9 -29.3 106.3 27.5 -8.5 250 252 A R T < - 0 0 85 -191,-1.4 3,-0.8 -2,-0.5 4,-0.1 -0.717 19.0-176.3 -81.8 107.2 99.7 21.3 -9.0 255 257 A L G > S+ 0 0 26 -2,-0.8 3,-2.0 1,-0.2 -1,-0.2 0.557 71.9 84.9 -82.6 -10.7 97.0 23.0 -11.1 256 258 A G G > S+ 0 0 53 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.831 79.5 69.8 -53.5 -33.2 96.8 20.0 -13.4 257 259 A D G < S+ 0 0 47 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.753 98.2 49.6 -50.2 -30.3 94.4 18.8 -10.7 258 260 A L G X S+ 0 0 5 -3,-2.0 3,-1.2 -4,-0.1 5,-0.3 -0.074 79.7 163.3-109.9 33.0 92.0 21.5 -11.9 259 261 A A T < + 0 0 81 -3,-1.4 -3,-0.1 1,-0.2 -2,-0.0 -0.209 64.2 14.5 -54.5 134.8 92.0 20.8 -15.7 260 262 A G T 3 S+ 0 0 88 1,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.646 95.0 102.1 77.2 18.3 89.1 22.3 -17.7 261 263 A R S < S- 0 0 136 -3,-1.2 -2,-0.1 0, 0.0 5,-0.1 0.419 86.1-123.6-108.6 -1.6 87.9 24.7 -15.0 262 264 A D > + 0 0 109 -4,-0.2 4,-1.8 3,-0.1 5,-0.2 0.946 39.9 175.1 50.6 58.0 89.6 27.9 -16.5 263 265 A V H > S+ 0 0 13 -5,-0.3 4,-2.8 1,-0.2 5,-0.2 0.892 72.6 57.3 -53.3 -45.5 91.5 28.7 -13.4 264 266 A Q H > S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 106.6 48.0 -60.9 -43.4 93.3 31.6 -15.0 265 267 A A H > S+ 0 0 45 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.858 113.1 47.5 -65.5 -36.5 90.0 33.4 -15.9 266 268 A R H X S+ 0 0 65 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.901 109.6 52.5 -73.7 -39.9 88.6 33.0 -12.4 267 269 A V H >< S+ 0 0 0 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.897 103.8 59.4 -58.8 -38.6 91.8 34.2 -10.8 268 270 A A H >< S+ 0 0 48 -4,-2.0 3,-1.2 1,-0.2 4,-0.2 0.904 100.6 55.6 -56.3 -39.6 91.6 37.2 -13.1 269 271 A E H 3< S+ 0 0 132 -4,-1.2 -1,-0.2 1,-0.2 3,-0.2 0.751 112.7 41.6 -63.6 -26.3 88.2 38.1 -11.5 270 272 A V T X< S+ 0 0 3 -3,-1.0 3,-1.1 -4,-0.8 -64,-0.5 0.119 71.9 115.3-115.1 21.4 89.6 38.1 -8.0 271 273 A L T < S+ 0 0 18 -3,-1.2 -49,-2.6 1,-0.2 -48,-0.3 0.874 94.5 27.2 -56.8 -35.4 92.9 39.9 -8.4 272 274 A D T 3 0 0 108 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.074 360.0 360.0-121.6 25.6 91.6 42.8 -6.2 273 275 A T < 0 0 82 -3,-1.1 -1,-0.1 -67,-0.0 -2,-0.1 0.366 360.0 360.0-116.4 360.0 89.1 41.1 -4.0 274 !* 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 0.0 275 3 B M 0 0 108 0, 0.0 2,-0.5 0, 0.0 52,-0.0 0.000 360.0 360.0 360.0 95.8 144.2 58.4 -16.3 276 4 B D + 0 0 127 1,-0.1 4,-0.2 2,-0.0 79,-0.0 -0.770 360.0 176.7 -79.4 124.5 144.5 54.9 -15.0 277 5 B L > + 0 0 1 -2,-0.5 4,-2.6 2,-0.1 5,-0.2 0.480 58.1 89.6-108.3 -9.0 141.4 53.1 -16.1 278 6 B G H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.854 87.0 51.8 -59.0 -39.6 142.2 49.6 -14.7 279 7 B G H > S+ 0 0 26 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 111.6 46.7 -62.7 -45.6 140.6 50.4 -11.4 280 8 B Y H > S+ 0 0 0 -4,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.919 111.9 49.9 -63.2 -45.3 137.4 51.5 -13.1 281 9 B L H <>S+ 0 0 6 -4,-2.6 5,-3.1 1,-0.2 4,-0.5 0.916 112.6 46.7 -64.5 -42.8 137.2 48.5 -15.4 282 10 B T H ><5S+ 0 0 111 -4,-2.3 3,-1.0 3,-0.2 -1,-0.2 0.899 108.5 57.8 -60.3 -42.1 137.8 46.0 -12.5 283 11 B R H 3<5S+ 0 0 19 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.865 112.4 39.5 -56.9 -40.3 135.1 48.0 -10.6 284 12 B I T 3<5S- 0 0 3 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.396 120.2-105.0 -95.7 3.4 132.5 47.3 -13.3 285 13 B G T < 5S+ 0 0 64 -3,-1.0 2,-0.3 -4,-0.5 -3,-0.2 0.786 81.8 112.3 82.3 28.4 133.6 43.8 -14.1 286 14 B L < - 0 0 52 -5,-3.1 -1,-0.3 -6,-0.2 2,-0.3 -0.757 43.5-163.0-118.3 169.6 135.4 44.3 -17.3 287 15 B D + 0 0 144 -2,-0.3 -9,-0.0 -3,-0.1 0, 0.0 -0.875 44.6 29.9-144.4-178.4 139.1 43.9 -18.2 288 16 B G S S- 0 0 58 -2,-0.3 -7,-0.1 1,-0.1 -2,-0.1 -0.242 99.2 -59.6 64.9-154.8 141.7 44.8 -20.8 289 17 B R - 0 0 136 -8,-0.0 -1,-0.1 67,-0.0 -11,-0.0 -0.879 55.0-146.8-127.4 96.3 141.3 48.0 -22.8 290 18 B P - 0 0 29 0, 0.0 -2,-0.0 0, 0.0 -4,-0.0 -0.317 21.0-112.6 -66.1 148.2 138.1 48.0 -24.8 291 19 B R - 0 0 180 1,-0.1 2,-2.6 66,-0.0 5,-0.2 -0.510 31.1-104.3 -79.6 148.4 138.1 49.7 -28.2 292 20 B P S S+ 0 0 41 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.315 77.1 121.4 -75.1 65.4 136.0 52.9 -28.6 293 21 B D S > S- 0 0 56 -2,-2.6 4,-1.9 96,-0.1 3,-0.1 -0.621 78.0 -97.3-116.8 179.5 133.1 51.3 -30.6 294 22 B L H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.868 120.5 56.3 -66.7 -38.8 129.4 51.0 -30.2 295 23 B G H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.888 108.7 47.8 -58.0 -41.0 129.6 47.5 -28.8 296 24 B T H > S+ 0 0 19 -5,-0.2 4,-3.0 2,-0.2 5,-0.3 0.902 108.2 54.9 -68.2 -41.2 131.9 48.8 -26.0 297 25 B L H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.937 111.2 44.5 -59.0 -47.5 129.6 51.7 -25.3 298 26 B H H X S+ 0 0 74 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.923 114.2 50.3 -58.8 -47.0 126.7 49.3 -24.7 299 27 B A H X S+ 0 0 46 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.895 111.7 46.9 -62.1 -44.1 128.9 46.9 -22.6 300 28 B I H X S+ 0 0 1 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.916 110.9 51.1 -65.8 -45.4 130.2 49.7 -20.4 301 29 B V H X S+ 0 0 2 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.941 113.4 45.6 -57.3 -46.5 126.8 51.2 -19.7 302 30 B A H X S+ 0 0 8 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.904 115.1 46.6 -63.7 -43.4 125.4 47.8 -18.8 303 31 B A H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.914 113.8 47.8 -66.9 -45.8 128.3 47.0 -16.5 304 32 B H H X S+ 0 0 1 -4,-3.1 4,-2.5 1,-0.2 3,-0.5 0.934 106.9 58.8 -57.7 -48.7 128.3 50.4 -14.8 305 33 B N H < S+ 0 0 6 -4,-2.7 180,-1.7 -5,-0.3 -1,-0.2 0.852 114.8 34.5 -48.4 -44.2 124.5 50.1 -14.3 306 34 B R H < S+ 0 0 105 -4,-1.5 -1,-0.2 178,-0.2 -2,-0.2 0.657 122.4 45.4 -88.3 -17.0 124.9 46.9 -12.3 307 35 B S H < S+ 0 0 32 -4,-1.3 -2,-0.2 -3,-0.5 -3,-0.2 0.798 106.8 46.6-101.9 -35.5 128.2 47.7 -10.5 308 36 B I S < S- 0 0 3 -4,-2.5 -1,-0.2 -5,-0.2 31,-0.1 -0.945 77.2-146.2-117.6 112.4 128.1 51.2 -9.2 309 37 B P - 0 0 1 0, 0.0 31,-1.6 0, 0.0 2,-0.4 -0.348 17.0-113.2 -75.8 156.1 124.9 52.2 -7.3 310 38 B F E +gH 340 483A 11 173,-2.4 173,-2.3 29,-0.2 2,-0.3 -0.731 52.0 156.2 -74.1 132.2 123.2 55.6 -7.2 311 39 B E E - H 0 482A 0 29,-1.9 171,-0.2 -2,-0.4 3,-0.1 -0.968 39.1-163.0-158.2 151.8 123.5 57.0 -3.7 312 40 B N > + 0 0 1 169,-0.9 4,-2.4 -2,-0.3 5,-0.2 -0.149 45.4 131.2-123.3 36.9 123.4 60.3 -1.9 313 41 B L H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 6,-0.2 0.865 71.8 55.7 -59.8 -36.5 125.0 59.4 1.4 314 42 B D H >4>S+ 0 0 15 2,-0.2 5,-2.9 1,-0.2 3,-0.6 0.987 111.7 39.6 -62.3 -60.0 127.4 62.3 1.3 315 43 B P H >45S+ 0 0 2 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.889 113.0 57.6 -57.8 -36.3 124.7 65.1 0.9 316 44 B L H 3<5S+ 0 0 3 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.888 109.3 45.7 -55.8 -39.2 122.5 63.2 3.4 317 45 B L T <<5S- 0 0 30 -4,-1.8 -1,-0.3 -3,-0.6 -3,-0.1 0.250 126.2-100.1 -91.2 12.4 125.3 63.5 5.9 318 46 B G T < 5S+ 0 0 61 -3,-1.7 -2,-0.1 1,-0.2 -4,-0.1 0.688 82.4 132.6 78.5 18.7 126.0 67.2 5.1 319 47 B I < - 0 0 36 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.900 51.2-138.7-102.0 108.3 129.0 66.4 2.9 320 48 B P - 0 0 50 0, 0.0 2,-0.8 0, 0.0 3,-0.2 -0.223 8.2-132.2 -63.8 155.8 128.6 68.5 -0.3 321 49 B V + 0 0 6 144,-0.4 148,-0.2 1,-0.2 147,-0.1 -0.863 55.0 140.3-103.6 92.0 129.4 67.1 -3.8 322 50 B A + 0 0 48 -2,-0.8 2,-0.6 1,-0.2 144,-0.2 0.715 46.0 66.6-107.8 -27.6 131.5 70.0 -4.9 323 51 B D + 0 0 83 -3,-0.2 -1,-0.2 1,-0.1 0, 0.0 -0.901 44.9 173.1-113.4 111.6 134.4 68.6 -6.9 324 52 B L + 0 0 5 -2,-0.6 -1,-0.1 4,-0.1 2,-0.0 0.047 35.6 131.1-108.0 24.3 133.7 66.9 -10.2 325 53 B S S > S- 0 0 11 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.316 71.3-112.7 -66.6 158.3 137.3 66.4 -11.2 326 54 B A H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.909 118.0 56.4 -57.1 -44.7 138.5 63.0 -12.4 327 55 B E H > S+ 0 0 145 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.929 111.0 42.5 -55.4 -47.3 140.7 62.7 -9.4 328 56 B A H > S+ 0 0 28 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 117.4 44.9 -67.3 -43.5 137.7 63.2 -7.0 329 57 B L H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 5,-0.4 0.890 114.4 46.5 -76.1 -38.4 135.3 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