==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-NOV-08 3F6T . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS ACIDOPHILUS NCFM; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1032 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 749 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 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 0.2 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 . 54 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 419 40.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.2 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 6 2 0 4 3 6 1 1 3 4 0 7 0 3 0 0 0 2 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 4 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 . 4 6 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 4 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 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 15 A F 0 0 142 0, 0.0 2,-0.1 0, 0.0 192,-0.1 0.000 360.0 360.0 360.0 54.1 6.8 13.1 -44.1 2 16 A E - 0 0 100 1,-0.1 2,-0.2 854,-0.0 853,-0.1 -0.390 360.0-109.1 -68.7 142.6 5.2 14.0 -47.4 3 17 A I - 0 0 11 852,-2.2 5,-0.1 1,-0.1 -1,-0.1 -0.538 50.9 -83.7 -71.0 134.8 6.0 11.7 -50.4 4 18 A S > - 0 0 52 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 -0.037 32.3-141.3 -37.1 131.2 8.2 13.4 -53.0 5 19 A R H > S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.875 103.1 53.1 -68.2 -32.1 6.0 15.5 -55.3 6 20 A K H > S+ 0 0 122 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.887 108.1 47.3 -69.7 -42.3 8.3 14.4 -58.1 7 21 A X H > S+ 0 0 14 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.867 112.0 51.3 -67.9 -38.6 8.0 10.7 -57.4 8 22 A L H X S+ 0 0 10 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.874 112.6 46.6 -59.2 -41.9 4.2 11.1 -57.1 9 23 A A H >X S+ 0 0 46 -4,-1.8 3,-1.1 1,-0.2 4,-0.5 0.908 108.6 54.8 -68.6 -42.2 4.2 12.9 -60.5 10 24 A L H >X S+ 0 0 6 -4,-2.6 3,-1.1 1,-0.3 4,-0.6 0.847 101.7 58.8 -60.7 -35.2 6.5 10.1 -62.0 11 25 A A H 3< S+ 0 0 5 -4,-1.6 3,-0.3 1,-0.2 -1,-0.3 0.737 93.5 67.1 -67.7 -22.5 3.9 7.5 -60.9 12 26 A Q H << S+ 0 0 164 -3,-1.1 3,-0.3 -4,-0.5 -1,-0.2 0.758 98.0 52.9 -67.4 -25.2 1.3 9.4 -63.1 13 27 A K H << S+ 0 0 79 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.708 132.0 9.3 -79.1 -25.2 3.3 8.3 -66.2 14 28 A N >< - 0 0 36 -4,-0.6 3,-2.0 -3,-0.3 4,-0.4 -0.616 63.2-171.6-157.4 89.7 3.2 4.6 -65.1 15 29 A E G > S+ 0 0 103 -3,-0.3 3,-1.6 1,-0.3 4,-0.5 0.768 82.3 73.8 -61.6 -23.9 0.9 3.7 -62.1 16 30 A K G 3 S+ 0 0 155 1,-0.3 4,-0.4 2,-0.2 3,-0.3 0.789 96.1 51.1 -56.8 -29.3 2.3 0.2 -62.0 17 31 A S G <> S+ 0 0 2 -3,-2.0 4,-2.9 -6,-0.2 5,-0.3 0.597 85.6 91.5 -83.9 -12.3 5.5 1.7 -60.5 18 32 A N H <>>S+ 0 0 24 -3,-1.6 4,-2.3 -4,-0.4 5,-1.0 0.861 82.7 51.1 -52.4 -45.2 3.6 3.6 -57.8 19 33 A I H >>S+ 0 0 12 -4,-0.5 6,-1.4 -3,-0.3 4,-0.9 0.933 116.7 38.6 -63.2 -44.8 3.8 0.8 -55.1 20 34 A F H 45S+ 0 0 3 -4,-0.4 4,-0.4 4,-0.2 -2,-0.2 0.946 123.9 40.3 -72.0 -45.4 7.6 0.4 -55.4 21 35 A L H <5S+ 0 0 14 -4,-2.9 -3,-0.2 1,-0.1 -2,-0.2 0.968 134.0 16.1 -65.0 -53.4 8.4 4.1 -55.8 22 36 A N H <5S+ 0 0 8 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.741 132.6 39.8-101.7 -24.0 5.9 5.7 -53.4 23 37 A A T < + 0 0 7 541,-2.8 4,-2.2 -2,-0.5 5,-0.3 0.843 66.8 71.4 -88.2 -38.0 1.4 -23.0 -56.5 34 48 A L H > S+ 0 0 27 540,-0.5 4,-2.1 1,-0.2 5,-0.2 0.871 100.8 41.7 -56.8 -50.4 0.6 -25.8 -54.0 35 49 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.856 113.9 54.8 -64.3 -38.4 -1.6 -24.0 -51.5 36 50 A R H > S+ 0 0 3 -4,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.905 112.6 41.1 -59.6 -46.1 -3.4 -22.1 -54.3 37 51 A L H X S+ 0 0 22 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.800 111.8 55.9 -73.4 -31.7 -4.3 -25.4 -56.1 38 52 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.3 3,-0.2 0.928 105.5 53.4 -66.3 -42.4 -5.2 -27.1 -52.8 39 53 A F H >X S+ 0 0 3 -4,-2.4 4,-1.8 1,-0.2 3,-0.6 0.930 104.0 56.1 -55.2 -49.1 -7.6 -24.3 -52.1 40 54 A V H 3X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.3 -1,-0.2 0.868 106.7 49.7 -47.8 -47.6 -9.3 -25.0 -55.6 41 55 A R H 3X S+ 0 0 32 -4,-1.4 4,-2.6 -3,-0.2 -1,-0.3 0.781 105.4 56.5 -66.2 -35.8 -10.0 -28.6 -54.7 42 56 A L H < S+ 0 0 13 -4,-2.4 3,-1.4 1,-0.2 4,-0.3 0.880 108.4 56.0 -58.3 -41.6 -20.9 -31.8 -50.8 50 64 A S H >X S+ 0 0 0 -4,-2.3 11,-1.9 1,-0.3 4,-1.6 0.786 94.8 64.5 -66.2 -29.2 -23.4 -28.9 -50.8 51 65 A K T 3< S+ 0 0 70 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.583 87.4 73.0 -73.0 -11.3 -25.5 -30.2 -53.6 52 66 A L T <4 S+ 0 0 129 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.770 106.4 33.8 -70.6 -28.4 -26.4 -33.2 -51.4 53 67 A T T <4 S+ 0 0 47 -3,-1.2 2,-0.3 1,-0.4 -2,-0.2 0.801 136.6 8.8 -97.0 -38.4 -28.7 -30.9 -49.3 54 68 A I < + 0 0 31 -4,-1.6 7,-0.7 8,-0.1 -1,-0.4 -0.986 60.8 172.5-142.6 135.2 -30.0 -28.5 -52.0 55 69 A N E +C 60 0B 108 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.693 20.8 139.9-147.1 90.3 -29.5 -28.9 -55.8 56 70 A N E > S-C 59 0B 83 3,-2.6 3,-2.2 -2,-0.2 2,-0.2 -0.873 73.1 -60.1-141.4 101.1 -31.4 -26.5 -57.9 57 71 A G T 3 S- 0 0 56 -2,-0.4 -1,-0.1 1,-0.3 855,-0.0 -0.448 121.5 -15.1 60.7-128.3 -29.7 -24.9 -61.0 58 72 A I T 3 S+ 0 0 49 -2,-0.2 491,-3.0 -3,-0.1 2,-0.5 0.284 118.2 101.9 -88.9 12.0 -26.7 -23.0 -59.7 59 73 A X E < +CD 56 548B 3 -3,-2.2 -3,-2.6 489,-0.2 489,-0.2 -0.846 44.9 172.2 -98.4 128.8 -28.0 -23.2 -56.1 60 74 A A E -CD 55 547B 0 487,-2.8 487,-2.0 -2,-0.5 -9,-0.2 -0.636 18.4-138.0-117.0-179.5 -26.4 -25.7 -53.7 61 75 A G - 0 0 1 -11,-1.9 2,-0.2 -7,-0.7 -1,-0.2 0.275 33.9 -48.3-112.1-128.0 -27.0 -26.0 -49.9 62 76 A Y - 0 0 60 -12,-0.3 2,-0.4 -13,-0.1 -9,-0.3 -0.624 41.9-115.8-119.3 170.5 -25.0 -26.7 -46.8 63 77 A I - 0 0 15 -2,-0.2 2,-0.4 -11,-0.1 -13,-0.1 -0.938 13.6-142.9-117.6 132.0 -22.3 -29.2 -45.5 64 78 A N - 0 0 94 -2,-0.4 4,-0.0 -15,-0.1 -15,-0.0 -0.773 6.4-151.6 -92.2 131.8 -22.5 -31.8 -42.7 65 79 A T > + 0 0 50 -2,-0.4 3,-2.3 2,-0.1 4,-0.3 0.863 67.4 97.6 -68.5 -40.5 -19.3 -32.3 -40.6 66 80 A D T 3 S+ 0 0 137 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 -0.340 103.1 0.1 -58.8 121.5 -19.9 -35.9 -39.7 67 81 A G T 3> S+ 0 0 22 -2,-0.2 4,-1.6 3,-0.0 -1,-0.3 0.458 90.2 131.6 78.3 8.5 -17.9 -38.1 -42.0 68 82 A I H <> + 0 0 0 -3,-2.3 4,-2.4 1,-0.2 5,-0.2 0.801 68.1 53.4 -60.6 -39.4 -16.5 -35.2 -44.1 69 83 A R H > S+ 0 0 66 -4,-0.3 4,-3.3 2,-0.2 -1,-0.2 0.930 108.8 48.6 -62.2 -49.7 -12.8 -36.4 -44.0 70 84 A E H > S+ 0 0 124 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.853 113.8 47.3 -56.9 -42.2 -13.8 -39.9 -45.3 71 85 A R H X S+ 0 0 75 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.865 113.8 47.7 -69.6 -38.5 -15.8 -38.2 -48.1 72 86 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.949 111.0 50.3 -66.2 -47.9 -12.9 -35.7 -48.9 73 87 A F H < S+ 0 0 40 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.884 112.7 47.8 -58.8 -38.6 -10.3 -38.5 -49.0 74 88 A A H < S+ 0 0 87 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.807 111.7 50.0 -69.3 -35.7 -12.6 -40.5 -51.4 75 89 A F H < S+ 0 0 61 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.865 98.6 82.2 -71.5 -37.6 -13.1 -37.5 -53.6 76 90 A L < - 0 0 11 -4,-2.5 9,-0.0 -5,-0.1 -3,-0.0 -0.208 65.4-151.7 -69.3 158.4 -9.4 -36.7 -53.9 77 91 A D >> + 0 0 50 1,-0.1 4,-2.6 4,-0.1 3,-1.3 -0.623 18.8 173.4-128.8 74.9 -7.0 -38.5 -56.3 78 92 A P T 34 S+ 0 0 43 0, 0.0 7,-0.3 0, 0.0 -1,-0.1 0.706 76.4 59.8 -59.3 -23.6 -3.6 -38.4 -54.5 79 93 A D T 34 S+ 0 0 158 1,-0.1 3,-0.1 5,-0.1 -2,-0.0 0.789 116.6 30.4 -74.3 -30.1 -2.0 -40.6 -57.2 80 94 A K T <4 S+ 0 0 161 -3,-1.3 2,-0.5 1,-0.2 -1,-0.1 0.848 119.3 51.4 -93.5 -39.3 -2.8 -38.1 -60.0 81 95 A N >X - 0 0 48 -4,-2.6 4,-1.9 1,-0.1 3,-0.5 -0.882 55.9-157.3-115.0 124.0 -2.7 -34.7 -58.3 82 96 A D H 3> S+ 0 0 129 -2,-0.5 4,-2.3 1,-0.2 -1,-0.1 0.851 98.8 56.5 -58.0 -36.7 0.0 -33.3 -56.0 83 97 A E H 3> S+ 0 0 25 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.781 106.9 49.3 -60.1 -42.3 -2.6 -30.9 -54.4 84 98 A D H <> S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.864 110.4 48.5 -68.4 -45.7 -4.7 -33.9 -53.4 85 99 A K H X S+ 0 0 104 -4,-1.9 4,-2.2 -7,-0.3 -2,-0.2 0.902 112.5 51.0 -61.2 -42.2 -1.8 -35.8 -51.9 86 100 A F H X S+ 0 0 10 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.913 107.3 53.1 -60.8 -42.6 -0.9 -32.5 -50.0 87 101 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.932 111.1 45.2 -61.4 -45.8 -4.5 -32.2 -48.7 88 102 A I H X S+ 0 0 24 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.960 114.9 47.9 -59.9 -51.9 -4.5 -35.7 -47.2 89 103 A D H X S+ 0 0 55 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.824 111.7 51.0 -57.7 -37.1 -1.0 -35.3 -45.7 90 104 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.888 111.2 46.2 -69.9 -45.4 -2.0 -31.9 -44.2 91 105 A V H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.873 114.7 48.4 -63.4 -37.8 -5.1 -33.1 -42.5 92 106 A N H X S+ 0 0 47 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.860 110.1 51.8 -73.8 -37.3 -3.2 -36.2 -41.2 93 107 A Y H X>S+ 0 0 39 -4,-2.0 4,-2.7 2,-0.2 5,-1.3 0.903 106.9 52.9 -59.5 -48.4 -0.5 -34.0 -39.9 94 108 A C H <5S+ 0 0 0 -4,-2.2 6,-2.7 3,-0.2 -2,-0.2 0.848 116.0 42.1 -58.0 -34.4 -3.0 -31.8 -38.1 95 109 A H H X5S+ 0 0 86 -4,-1.3 4,-0.9 4,-0.2 -2,-0.2 0.960 122.8 33.6 -75.3 -57.9 -4.3 -34.9 -36.5 96 110 A T H <5S+ 0 0 99 -4,-3.3 -3,-0.2 2,-0.1 -2,-0.2 0.883 132.9 27.4 -70.8 -39.9 -1.1 -36.8 -35.6 97 111 A E T <5S+ 0 0 123 -4,-2.7 -3,-0.2 -5,-0.3 -1,-0.1 0.856 131.6 32.0 -91.9 -39.4 1.1 -33.7 -34.8 98 112 A L T 4 - 0 0 81 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.529 24.2-140.7 -64.6 124.3 -10.0 -33.9 -35.1 102 116 A R H > S+ 0 0 67 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.877 98.4 51.0 -61.1 -43.0 -9.8 -34.6 -38.8 103 117 A D H > S+ 0 0 38 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.891 111.4 47.9 -58.9 -46.3 -13.6 -34.0 -39.5 104 118 A K H > S+ 0 0 137 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.877 113.7 47.3 -62.9 -42.4 -13.5 -30.6 -37.7 105 119 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.936 115.2 45.0 -63.2 -47.5 -10.3 -29.5 -39.6 106 120 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.931 114.5 49.3 -63.4 -46.0 -11.8 -30.7 -43.1 107 121 A A H X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.2 5,-0.4 0.890 111.4 50.1 -60.0 -41.8 -15.1 -29.0 -42.3 108 122 A E H X S+ 0 0 23 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.928 115.2 42.2 -63.6 -47.5 -13.3 -25.8 -41.3 109 123 A W H X S+ 0 0 0 -4,-2.4 4,-2.0 3,-0.2 -2,-0.2 0.816 119.2 43.7 -66.6 -40.0 -11.2 -25.8 -44.5 110 124 A V H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.4 0.961 118.7 41.4 -75.0 -51.7 -14.2 -26.8 -46.8 111 125 A N H X>S+ 0 0 40 -4,-2.6 4,-2.3 -5,-0.3 5,-1.2 0.909 118.1 51.4 -58.7 -39.9 -16.8 -24.4 -45.2 112 126 A G H <5S+ 0 0 3 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.894 112.4 42.9 -63.6 -43.8 -14.0 -21.9 -45.1 113 127 A A H <5S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.917 117.6 45.2 -67.9 -47.0 -13.0 -22.3 -48.8 114 128 A V H <5S- 0 0 0 -4,-3.0 -2,-0.2 -72,-0.2 -1,-0.2 0.826 102.3-145.6 -63.6 -35.5 -16.7 -22.4 -50.0 115 129 A A T <5 + 0 0 0 -4,-2.3 705,-1.8 -5,-0.4 706,-0.7 0.924 43.4 150.3 70.3 53.8 -17.2 -19.4 -47.6 116 130 A N < + 0 0 20 -5,-1.2 2,-0.3 703,-0.2 -4,-0.1 0.210 56.3 44.7-100.7 13.6 -20.8 -20.1 -46.5 117 131 A N S S- 0 0 68 -6,-0.3 253,-0.3 -5,-0.1 3,-0.1 -0.995 85.6 -98.3-157.7 149.1 -20.5 -18.5 -43.0 118 132 A Y - 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0 0 26 -4,-1.3 4,-1.9 -5,-0.4 3,-0.5 -0.222 37.1 -62.6 109.4 163.9 37.1 10.9 -59.9 444 458 A K H > S+ 0 0 138 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.767 124.9 58.1 -50.4 -40.2 36.2 13.4 -57.2 445 459 A E H > S+ 0 0 156 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 108.4 44.8 -62.5 -45.8 35.7 16.3 -59.7 446 460 A F H > S+ 0 0 0 -3,-0.5 4,-3.0 2,-0.2 -2,-0.2 0.919 110.1 55.8 -64.1 -45.6 33.0 14.3 -61.6 447 461 A R H X S+ 0 0 57 -4,-1.9 4,-3.4 2,-0.2 -2,-0.2 0.940 109.1 46.3 -50.0 -55.1 31.3 13.2 -58.4 448 462 A D H X S+ 0 0 90 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.903 113.6 48.2 -57.8 -45.3 30.9 16.9 -57.2 449 463 A Y H X S+ 0 0 74 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.902 115.4 46.0 -59.3 -42.7 29.6 18.0 -60.6 450 464 A L H X S+ 0 0 2 -4,-3.0 4,-0.7 2,-0.2 -2,-0.2 0.910 110.4 53.1 -66.7 -44.4 27.2 15.0 -60.5 451 465 A T H < S+ 0 0 55 -4,-3.4 3,-0.4 1,-0.2 -2,-0.2 0.889 115.4 40.7 -56.5 -44.0 26.2 15.7 -56.9 452 466 A N H < S+ 0 0 128 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.850 124.5 37.1 -75.0 -35.4 25.3 19.3 -57.9 453 467 A N H < S+ 0 0 92 -4,-2.2 2,-0.6 -5,-0.2 -2,-0.2 0.123 84.2 122.5-107.4 20.0 23.6 18.4 -61.2 454 468 A F < - 0 0 29 -4,-0.7 2,-0.5 -3,-0.4 28,-0.1 -0.740 33.2-176.7 -93.6 121.0 21.8 15.1 -60.5 455 469 A E > - 0 0 69 -2,-0.6 4,-1.9 1,-0.1 5,-0.1 -0.961 16.1-154.0-110.2 122.2 18.0 14.8 -61.1 456 470 A Q H > S+ 0 0 57 -2,-0.5 4,-2.2 1,-0.2 5,-0.1 0.866 93.6 52.3 -62.5 -38.8 16.5 11.4 -60.1 457 471 A V H > S+ 0 0 28 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.918 108.2 50.6 -65.0 -44.6 13.6 11.6 -62.5 458 472 A D H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.917 111.0 50.8 -58.1 -45.6 15.9 12.4 -65.5 459 473 A F H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.932 112.6 44.8 -55.1 -51.8 18.0 9.4 -64.5 460 474 A L H X S+ 0 0 6 -4,-2.2 4,-1.8 1,-0.2 12,-0.4 0.755 112.5 51.0 -68.9 -27.2 15.0 7.0 -64.3 461 475 A L H X S+ 0 0 78 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.810 110.5 49.5 -79.3 -31.4 13.5 8.3 -67.6 462 476 A K H X S+ 0 0 64 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.840 111.5 49.3 -70.2 -37.0 16.8 7.7 -69.4 463 477 A L H X S+ 0 0 1 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.915 109.2 51.9 -66.4 -47.3 16.9 4.2 -67.9 464 478 A A H ><>S+ 0 0 1 -4,-1.8 5,-2.6 1,-0.2 3,-0.7 0.894 108.4 52.4 -55.1 -42.5 13.3 3.5 -69.0 465 479 A E H ><5S+ 0 0 157 -4,-1.5 3,-1.3 1,-0.2 -1,-0.2 0.859 102.2 58.4 -65.3 -37.3 14.4 4.6 -72.6 466 480 A K H 3<5S+ 0 0 63 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.743 112.9 41.0 -61.2 -25.7 17.3 2.2 -72.6 467 481 A N T <<5S- 0 0 48 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.251 112.6-116.9-106.5 8.0 14.8 -0.6 -72.0 468 482 A G T < 5S+ 0 0 76 -3,-1.3 2,-0.2 1,-0.2 -3,-0.2 0.760 76.8 118.4 62.1 27.7 12.1 0.7 -74.4 469 483 A V S - 0 0 17 -12,-0.4 3,-1.0 -2,-0.3 2,-0.4 -0.679 29.2-136.0 -78.8 120.6 11.2 0.5 -65.1 473 487 A D T 3 S+ 0 0 49 -2,-0.6 3,-0.1 1,-0.2 -456,-0.1 -0.610 86.0 28.0 -76.1 127.4 9.3 -1.1 -62.3 474 488 A G T 3 S+ 0 0 2 -2,-0.4 13,-2.4 1,-0.2 2,-0.4 0.502 95.8 96.4 102.9 4.7 11.5 -1.9 -59.3 475 489 A V E < +O 486 0G 3 -3,-1.0 -1,-0.2 11,-0.2 11,-0.2 -0.997 43.3 114.9-126.2 128.3 14.2 0.8 -59.6 476 490 A G E -O 485 0G 0 9,-3.1 9,-2.6 -2,-0.4 2,-0.3 -0.704 57.3 -73.4-158.6-148.8 14.1 4.1 -57.7 477 491 A F E -O 484 0G 10 7,-0.3 7,-0.2 -2,-0.2 2,-0.1 -0.929 29.8-134.5-131.1 153.9 16.0 6.0 -55.0 478 492 A G - 0 0 14 5,-2.9 5,-0.2 -2,-0.3 4,-0.1 -0.246 44.0 -84.4 -91.6-173.9 16.5 5.6 -51.2 479 493 A A S S+ 0 0 107 -2,-0.1 -1,-0.0 2,-0.1 -2,-0.0 0.861 107.7 74.2 -62.2 -37.7 16.4 8.3 -48.5 480 494 A K S > S- 0 0 138 1,-0.1 3,-1.1 2,-0.0 -2,-0.3 -0.366 94.8 -98.8 -77.4 155.1 20.0 9.3 -49.1 481 495 A P T 3 S+ 0 0 97 0, 0.0 -46,-0.2 0, 0.0 -1,-0.1 -0.564 106.4 11.5 -74.2 136.7 21.3 11.3 -52.1 482 496 A G T 3 S+ 0 0 0 -2,-0.2 -48,-2.7 1,-0.2 -47,-0.9 0.625 92.1 133.0 71.2 16.5 22.8 9.2 -54.9 483 497 A E E < -N 433 0G 30 -3,-1.1 -5,-2.9 -50,-0.2 2,-0.3 -0.873 45.9-152.5-103.5 102.0 21.5 6.0 -53.3 484 498 A L E -NO 432 477G 0 -52,-3.0 -52,-2.1 -2,-0.8 2,-0.5 -0.565 6.6-152.4 -74.4 135.6 19.8 3.9 -56.0 485 499 A R E +NO 431 476G 17 -9,-2.6 -9,-3.1 -2,-0.3 2,-0.4 -0.960 17.4 176.8-117.3 120.6 17.1 1.6 -54.7 486 500 A V E -NO 430 475G 0 -56,-2.6 -56,-2.8 -2,-0.5 2,-0.5 -0.973 22.0-142.2-128.3 138.6 16.3 -1.7 -56.5 487 501 A S E -N 429 0G 0 -13,-2.4 4,-0.5 -2,-0.4 3,-0.3 -0.874 2.7-163.2 -95.7 126.4 13.9 -4.6 -55.8 488 502 A Q S S+ 0 0 0 -60,-2.6 -81,-0.2 -2,-0.5 -59,-0.1 0.237 89.1 66.0 -89.6 11.3 15.1 -8.2 -56.6 489 503 A A S S+ 0 0 0 -61,-0.4 -460,-1.3 -461,-0.1 -1,-0.2 0.777 94.2 54.7 -96.4 -27.2 11.4 -9.2 -56.4 490 504 A N S S+ 0 0 20 -3,-0.3 -2,-0.1 -462,-0.2 -17,-0.1 0.722 94.8 54.9 -87.2 -32.5 10.0 -7.3 -59.4 491 505 A L S S- 0 0 17 -4,-0.5 2,-0.2 -17,-0.1 -462,-0.2 -0.649 87.1 -91.8-106.7 160.9 11.9 -8.1 -62.6 492 506 A P >> - 0 0 23 0, 0.0 3,-2.8 0, 0.0 4,-0.5 -0.514 45.4-112.8 -61.9 135.3 12.9 -11.2 -64.5 493 507 A T H >> S+ 0 0 34 1,-0.3 3,-1.0 -2,-0.2 4,-0.5 0.779 116.3 59.3 -38.7 -40.7 16.3 -12.5 -63.3 494 508 A E H 3> S+ 0 0 133 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.687 94.2 65.7 -67.8 -18.9 17.9 -11.7 -66.7 495 509 A D H <> S+ 0 0 53 -3,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.748 88.5 69.1 -74.0 -22.3 16.9 -8.0 -66.3 496 510 A Y H - 0 0 61 1,-0.1 4,-1.9 -2,-0.1 5,-0.2 -0.315 27.6-141.1 -56.8 129.4 -29.0 -7.7 -24.0 521 19 B R H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.828 100.5 53.0 -67.2 -29.5 -26.9 -9.4 -21.3 522 20 B K H > S+ 0 0 126 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.910 111.0 44.7 -72.7 -41.6 -29.3 -12.4 -21.3 523 21 B X H > S+ 0 0 18 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.783 113.4 52.0 -69.2 -30.0 -29.0 -12.9 -25.1 524 22 B L H X S+ 0 0 14 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.873 112.6 45.0 -75.1 -36.6 -25.2 -12.4 -24.8 525 23 B A H < S+ 0 0 36 -4,-2.1 -2,-0.2 2,-0.2 4,-0.2 0.886 110.5 54.3 -70.9 -39.6 -25.2 -15.1 -22.0 526 24 B L H >< S+ 0 0 6 -4,-2.6 3,-1.3 1,-0.2 4,-0.4 0.863 104.6 55.6 -61.9 -38.2 -27.4 -17.4 -24.1 527 25 B A H >< S+ 0 0 4 -4,-1.7 3,-1.8 1,-0.2 7,-0.2 0.872 94.1 66.8 -61.6 -38.1 -24.9 -17.1 -27.0 528 26 B Q T 3< S+ 0 0 146 -4,-1.1 -1,-0.2 1,-0.3 3,-0.2 0.581 98.1 55.7 -67.3 -0.9 -22.1 -18.3 -24.7 529 27 B K T < S+ 0 0 137 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.564 127.7 12.9 -99.3 -19.5 -24.0 -21.7 -24.6 530 28 B N X - 0 0 38 -3,-1.8 3,-2.0 -4,-0.4 4,-0.3 -0.593 67.8-169.0-156.7 89.4 -24.1 -22.1 -28.4 531 29 B E G > S+ 0 0 97 1,-0.3 3,-1.7 -3,-0.2 4,-0.4 0.769 82.3 72.6 -55.1 -27.8 -21.7 -19.6 -30.2 532 30 B K G 3 S+ 0 0 156 1,-0.3 4,-0.4 2,-0.1 3,-0.4 0.807 94.6 54.1 -56.9 -27.8 -23.3 -20.5 -33.5 533 31 B S G <> S+ 0 0 1 -3,-2.0 4,-3.0 -6,-0.2 5,-0.3 0.563 84.6 88.3 -84.0 -11.6 -26.4 -18.6 -32.5 534 32 B N H <>>S+ 0 0 15 -3,-1.7 4,-2.9 -4,-0.3 5,-0.9 0.889 82.4 53.1 -58.4 -45.1 -24.5 -15.3 -31.7 535 33 B I H >>S+ 0 0 11 -4,-0.4 6,-1.4 -3,-0.4 4,-1.4 0.936 118.6 36.2 -59.8 -46.4 -24.6 -13.7 -35.2 536 34 B F H 45S+ 0 0 2 -4,-0.4 4,-0.4 4,-0.2 -2,-0.2 0.950 123.5 41.8 -71.1 -47.9 -28.4 -14.1 -35.4 537 35 B L H <5S+ 0 0 15 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.915 134.0 15.8 -64.7 -45.2 -29.2 -13.5 -31.8 538 36 B N H <5S+ 0 0 10 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.579 132.4 39.1-111.6 -20.5 -26.9 -10.6 -31.2 539 37 B A T < + 0 0 7 -491,-3.0 4,-2.4 -2,-0.5 5,-0.2 0.803 67.1 71.8 -95.3 -30.1 -22.1 -22.6 -57.1 550 48 B L H > S+ 0 0 29 -492,-0.4 4,-2.0 1,-0.2 5,-0.2 0.882 99.3 42.0 -61.6 -51.4 -21.3 -21.1 -60.6 551 49 B A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.872 115.7 54.1 -62.8 -37.8 -19.1 -18.1 -59.7 552 50 B R H > S+ 0 0 4 -4,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.915 110.8 42.9 -62.8 -47.7 -17.3 -20.3 -57.1 553 51 B L H X S+ 0 0 25 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.796 113.0 53.3 -67.1 -34.6 -16.4 -23.1 -59.6 554 52 B A H X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.878 105.9 53.5 -68.5 -40.1 -15.4 -20.5 -62.3 555 53 B F H >X S+ 0 0 3 -4,-2.0 4,-1.5 1,-0.2 3,-0.6 0.948 104.9 55.6 -56.4 -52.8 -13.0 -18.8 -59.8 556 54 B V H 3X S+ 0 0 1 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.866 106.2 51.4 -41.2 -51.3 -11.3 -22.3 -59.2 557 55 B R H 3X S+ 0 0 31 -4,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.812 104.4 56.0 -63.2 -35.0 -10.7 -22.6 -62.9 558 56 B L H < S+ 0 0 12 -4,-2.6 3,-1.7 1,-0.2 4,-0.4 0.897 108.7 56.0 -58.6 -46.0 0.3 -19.8 -67.2 566 64 B S H >X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.3 11,-1.5 0.833 96.6 64.2 -60.1 -32.6 2.6 -18.9 -64.4 567 65 B K T 3< S+ 0 0 77 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.553 88.4 72.2 -68.8 -9.9 4.7 -22.1 -64.9 568 66 B L T <4 S+ 0 0 129 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.775 107.8 31.8 -74.4 -29.0 5.6 -20.7 -68.4 569 67 B T T <4 S+ 0 0 48 -3,-1.3 2,-0.4 -4,-0.4 -2,-0.2 0.871 135.9 11.5 -95.7 -46.2 7.9 -18.1 -66.9 570 68 B I < + 0 0 31 -4,-1.6 7,-0.7 8,-0.1 -1,-0.4 -1.000 61.0 169.9-132.7 131.7 9.3 -19.9 -63.7 571 69 B N E +B 576 0A 110 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.682 19.8 139.2-144.4 90.8 8.8 -23.6 -63.0 572 70 B N E > S-B 575 0A 86 3,-2.5 3,-2.1 -2,-0.2 2,-0.1 -0.892 73.5 -60.5-140.0 102.1 10.8 -24.8 -60.0 573 71 B G T 3 S- 0 0 59 -2,-0.4 -1,-0.0 1,-0.3 -177,-0.0 -0.438 120.8 -14.3 62.6-127.1 9.2 -27.3 -57.6 574 72 B I T 3 S+ 0 0 50 -2,-0.1 -541,-2.8 -3,-0.1 -540,-0.5 0.202 119.4 97.4 -92.6 15.2 6.2 -25.5 -56.1 575 73 B X E < +AB 32 572A 3 -3,-2.1 -3,-2.5 -543,-0.2 -543,-0.2 -0.885 46.7 171.9-104.6 132.5 7.3 -22.1 -57.3 576 74 B A E -AB 31 571A 0 -545,-2.5 -545,-1.5 -2,-0.5 -5,-0.2 -0.589 19.0-133.3-121.1-172.5 5.9 -20.6 -60.5 577 75 B G - 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