==== 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 COMPLEX (LYASE/INHIBITOR) 02-MAY-98 1FIY . COMPND 2 MOLECULE: PHOSPHOENOLPYRUVATE CARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.KAI,H.MATSUMURA,T.INOUE,K.TERADA,Y.NAGARA,T.YOSHINAGA,A.KI . 874 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35581.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 691 79.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 31 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 490 56.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.7 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 1 2 1 1 2 2 2 5 0 2 2 2 2 2 1 0 3 1 3 0 0 1 0 1 0 1 1 RESIDUES PER ALPHA HELIX . 1 3 0 1 3 1 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 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 0 1 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 4 A Q 0 0 215 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 105.5 43.5 65.7 -10.4 2 5 A Y > + 0 0 69 1,-0.2 4,-2.0 2,-0.1 5,-0.1 0.047 360.0 118.1 -97.5 29.0 44.3 62.4 -12.2 3 6 A S H > S+ 0 0 79 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.918 70.8 52.7 -60.7 -50.2 47.8 63.5 -13.4 4 7 A A H > S+ 0 0 34 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.862 110.3 50.1 -55.4 -40.9 49.8 60.8 -11.5 5 8 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 110.8 49.2 -62.6 -46.0 47.5 58.2 -13.1 6 9 A R H X S+ 0 0 123 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.872 111.1 50.6 -63.7 -36.5 48.1 59.8 -16.5 7 10 A S H X S+ 0 0 66 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.973 109.8 49.0 -64.7 -54.6 51.9 59.8 -15.9 8 11 A N H X S+ 0 0 30 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.885 110.0 50.2 -53.6 -47.2 52.0 56.1 -14.9 9 12 A V H X S+ 0 0 13 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.949 112.1 48.5 -62.1 -42.9 50.0 55.0 -17.9 10 13 A S H X S+ 0 0 70 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.915 113.0 48.4 -57.8 -47.7 52.4 56.9 -20.2 11 14 A M H >X S+ 0 0 47 -4,-2.7 4,-2.3 2,-0.2 3,-1.2 0.993 112.4 46.0 -56.6 -66.5 55.4 55.5 -18.5 12 15 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.3 -1,-0.2 0.808 112.9 52.0 -45.9 -38.1 54.3 51.9 -18.6 13 16 A G H 3X S+ 0 0 12 -4,-2.2 4,-2.9 -5,-0.3 -1,-0.3 0.874 107.7 52.1 -70.6 -35.4 53.3 52.4 -22.3 14 17 A K H S+ 0 0 0 -4,-2.0 5,-2.0 2,-0.2 4,-1.4 0.857 110.1 55.2 -71.5 -33.5 58.1 45.6 -28.6 21 24 A K H <5S+ 0 0 103 -4,-1.7 -2,-0.2 -3,-0.2 4,-0.2 0.992 117.0 35.1 -59.5 -58.2 60.8 47.7 -30.3 22 25 A D H <5S+ 0 0 122 -4,-2.7 -2,-0.2 1,-0.1 -3,-0.2 0.990 114.2 62.0 -54.3 -66.9 63.5 45.3 -29.0 23 26 A A H <5S- 0 0 30 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.781 129.6 -42.0 -25.4 -83.4 61.3 42.2 -29.2 24 27 A L T <5S+ 0 0 110 -4,-1.4 2,-0.3 1,-0.3 -1,-0.2 0.485 103.9 4.1-142.1 -5.3 60.5 41.8 -32.9 25 28 A G < - 0 0 12 -5,-2.0 4,-0.4 -4,-0.2 -1,-0.3 -0.935 22.3-153.8 177.3 159.8 59.7 45.1 -34.6 26 29 A E S > S+ 0 0 124 -2,-0.3 4,-1.8 2,-0.1 -1,-0.1 0.502 104.9 69.9-104.6 -17.3 59.1 48.8 -35.2 27 30 A H H > S+ 0 0 97 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.899 97.6 47.2 -65.4 -46.8 56.7 47.6 -37.9 28 31 A I H > S+ 0 0 10 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.915 110.7 52.2 -64.9 -44.4 54.2 46.3 -35.3 29 32 A L H > S+ 0 0 40 -4,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.863 110.9 48.2 -62.0 -34.2 54.6 49.6 -33.4 30 33 A E H X S+ 0 0 85 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.940 110.1 51.9 -69.3 -45.5 53.8 51.4 -36.6 31 34 A R H X S+ 0 0 37 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.950 113.3 45.1 -50.9 -54.9 50.8 49.0 -37.2 32 35 A V H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.931 114.3 47.2 -54.9 -52.1 49.6 49.8 -33.7 33 36 A E H X S+ 0 0 123 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.837 111.9 50.9 -64.2 -33.9 50.1 53.6 -34.0 34 37 A T H X S+ 0 0 24 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.950 107.8 52.2 -68.8 -49.8 48.4 53.8 -37.4 35 38 A I H X S+ 0 0 2 -4,-2.5 4,-1.7 -5,-0.2 5,-0.2 0.887 112.0 45.5 -56.0 -43.9 45.3 51.9 -36.2 36 39 A R H X S+ 0 0 76 -4,-1.9 4,-3.4 2,-0.2 3,-0.4 0.985 115.2 46.0 -64.7 -53.5 44.8 54.3 -33.3 37 40 A K H X S+ 0 0 128 -4,-2.0 4,-3.0 1,-0.3 -2,-0.2 0.954 116.4 45.7 -50.1 -55.6 45.3 57.4 -35.3 38 41 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.3 0.749 114.3 48.4 -58.4 -33.4 43.1 56.2 -38.1 39 42 A S H X S+ 0 0 0 -4,-1.7 4,-1.7 -3,-0.4 -1,-0.2 0.899 111.6 48.3 -79.8 -41.9 40.4 55.0 -35.7 40 43 A K H X S+ 0 0 152 -4,-3.4 4,-1.8 -5,-0.2 -2,-0.2 0.962 114.9 47.8 -61.1 -46.9 40.4 58.3 -33.8 41 44 A S H ><>S+ 0 0 22 -4,-3.0 3,-1.1 -5,-0.3 5,-1.0 0.987 109.2 51.2 -55.2 -63.9 40.2 60.1 -37.1 42 45 A S H ><5S+ 0 0 2 -4,-2.1 3,-0.8 1,-0.3 -1,-0.2 0.750 108.9 52.6 -42.9 -38.9 37.3 58.0 -38.5 43 46 A R H 3<5S+ 0 0 95 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.890 99.5 62.1 -69.2 -39.7 35.3 58.6 -35.4 44 47 A A T <<5S- 0 0 85 -4,-1.8 -1,-0.2 -3,-1.1 -2,-0.2 0.155 129.1 -90.9 -77.6 24.6 35.6 62.3 -35.6 45 48 A G T < 5S+ 0 0 46 -3,-0.8 2,-1.2 1,-0.2 -3,-0.2 0.063 78.9 142.3 93.8 -22.0 33.8 62.3 -38.9 46 49 A N >>< - 0 0 66 -5,-1.0 3,-0.5 1,-0.2 4,-0.5 -0.294 25.7-175.8 -56.9 95.0 36.7 61.9 -41.4 47 50 A D T 34 S+ 0 0 115 -2,-1.2 4,-0.3 1,-0.2 -1,-0.2 0.400 77.5 61.5 -77.6 10.7 35.1 59.6 -43.9 48 51 A A T 3> S+ 0 0 53 2,-0.1 4,-1.4 3,-0.1 3,-0.4 0.781 103.1 48.4 -97.9 -36.6 38.3 59.4 -46.0 49 52 A N H <> S+ 0 0 44 -3,-0.5 4,-1.4 1,-0.2 -7,-0.3 0.501 101.2 66.5 -80.0 -5.9 40.2 57.8 -43.1 50 53 A R H X S+ 0 0 26 -4,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.850 104.1 44.4 -80.7 -34.7 37.3 55.4 -42.6 51 54 A Q H > S+ 0 0 132 -3,-0.4 4,-2.4 -4,-0.3 5,-0.2 0.884 112.8 51.9 -71.0 -44.4 38.2 53.9 -46.0 52 55 A E H X S+ 0 0 96 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.842 109.0 50.5 -62.0 -38.2 41.9 54.0 -45.1 53 56 A L H X S+ 0 0 3 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.944 110.4 49.7 -66.0 -48.6 41.1 52.1 -41.8 54 57 A L H X S+ 0 0 44 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.859 115.4 42.3 -58.9 -41.1 39.2 49.5 -43.7 55 58 A T H X S+ 0 0 60 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.893 111.5 56.3 -75.9 -36.1 41.9 48.9 -46.2 56 59 A T H < S+ 0 0 16 -4,-2.5 4,-0.4 -5,-0.2 -2,-0.2 0.944 111.1 43.3 -58.7 -48.0 44.6 49.0 -43.5 57 60 A L H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.903 111.4 53.2 -65.3 -41.5 42.9 46.2 -41.6 58 61 A Q H 3< S+ 0 0 100 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.814 106.6 54.8 -64.4 -29.2 42.2 44.1 -44.7 59 62 A N T 3< S+ 0 0 121 -4,-1.8 -1,-0.3 -3,-0.2 2,-0.2 0.556 78.5 112.2 -82.0 -9.4 45.9 44.3 -45.6 60 63 A L < - 0 0 3 -3,-1.3 2,-0.2 -4,-0.4 -3,-0.0 -0.505 67.4-134.7 -63.9 131.2 47.1 43.0 -42.3 61 64 A S >> - 0 0 58 -2,-0.2 3,-1.9 1,-0.1 4,-1.7 -0.496 21.9-107.9 -80.2 160.2 48.6 39.6 -43.0 62 65 A N H 3> S+ 0 0 51 1,-0.3 4,-0.7 2,-0.2 -1,-0.1 0.774 120.1 60.0 -60.9 -23.6 47.8 36.7 -40.6 63 66 A D H 34 S+ 0 0 108 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.707 106.3 47.4 -80.7 -10.9 51.3 36.8 -39.2 64 67 A E H <> S+ 0 0 26 -3,-1.9 4,-2.4 2,-0.1 5,-0.3 0.846 95.1 77.5 -92.0 -35.2 50.6 40.4 -38.1 65 68 A L H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.841 95.5 41.2 -39.1 -64.5 47.2 39.8 -36.5 66 69 A L H X S+ 0 0 28 -4,-0.7 4,-3.9 2,-0.2 5,-0.3 0.941 116.1 47.7 -55.9 -52.9 48.2 38.2 -33.2 67 70 A P H > S+ 0 0 25 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.894 115.3 47.8 -57.8 -39.1 51.2 40.5 -32.4 68 71 A V H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.943 114.8 44.6 -65.2 -51.2 48.9 43.5 -33.2 69 72 A A H X S+ 0 0 0 -4,-2.9 4,-3.1 -5,-0.3 5,-0.2 0.973 114.8 47.9 -58.8 -54.2 46.1 42.2 -31.0 70 73 A R H X S+ 0 0 33 -4,-3.9 4,-3.2 2,-0.2 5,-0.2 0.942 110.3 54.9 -53.1 -46.7 48.4 41.2 -28.2 71 74 A A H >X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.3 3,-0.6 0.970 111.1 41.9 -48.9 -63.6 50.0 44.7 -28.5 72 75 A F H 3X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.900 114.8 53.3 -50.9 -44.0 46.7 46.5 -28.1 73 76 A S H 3X S+ 0 0 28 -4,-3.1 4,-2.2 -5,-0.2 -1,-0.3 0.873 106.8 51.7 -61.4 -36.3 45.8 44.0 -25.3 74 77 A Q H X S+ 0 0 10 -4,-2.5 4,-2.1 1,-0.2 3,-0.9 0.953 106.6 52.7 -60.6 -47.1 47.4 51.1 -8.4 86 89 A H H 3< S+ 0 0 12 -4,-2.3 8,-0.8 1,-0.2 7,-0.5 0.837 101.9 61.4 -51.9 -40.9 45.9 54.6 -8.2 87 90 A S H 3< S+ 0 0 20 -4,-1.3 8,-3.7 1,-0.2 -1,-0.2 0.801 114.0 30.3 -61.5 -38.9 42.8 53.3 -6.4 88 91 A I H << S+ 0 0 10 -4,-1.0 8,-0.2 -3,-0.9 -1,-0.2 0.674 93.7 109.9 -97.7 -18.6 44.6 51.9 -3.3 89 92 A S S <>S- 0 0 5 -4,-2.1 5,-1.0 -5,-0.2 3,-0.4 -0.368 71.7-134.8 -59.5 122.4 47.4 54.5 -3.4 90 93 A P T 5S+ 0 0 115 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.711 104.0 55.9 -52.5 -25.7 47.0 56.9 -0.5 91 94 A K T 5S+ 0 0 156 -87,-0.0 2,-0.3 2,-0.0 -2,-0.1 -0.577 115.5 35.9-107.6 64.1 47.7 59.9 -2.8 92 95 A G T 5S- 0 0 27 -2,-0.6 -5,-0.2 -3,-0.4 -6,-0.1 -0.844 131.0 -29.8-177.8-152.2 44.9 58.9 -5.2 93 96 A E T 5 - 0 0 104 -7,-0.5 -6,-0.2 -2,-0.3 -5,-0.1 0.731 70.0-153.8 -59.0 -23.6 41.4 57.3 -4.5 94 97 A A > < + 0 0 20 -5,-1.0 3,-2.4 -8,-0.8 -6,-0.3 0.738 20.5 176.3 55.6 37.9 42.8 55.5 -1.4 95 98 A A T 3 S+ 0 0 31 -8,-3.7 -7,-0.2 1,-0.3 -1,-0.1 0.674 73.2 49.5 -39.9 -40.9 40.3 52.6 -1.4 96 99 A S T 3 S+ 0 0 30 -8,-0.2 -1,-0.3 -9,-0.2 -8,-0.1 0.213 75.0 127.4 -90.3 11.5 41.9 50.7 1.5 97 100 A N X - 0 0 90 -3,-2.4 3,-2.0 1,-0.1 4,-0.2 -0.620 65.7-128.9 -72.7 124.8 42.1 53.6 4.0 98 101 A P T 3> S+ 0 0 38 0, 0.0 4,-1.9 0, 0.0 3,-0.4 0.497 96.0 85.2 -51.3 -7.2 40.5 52.6 7.2 99 102 A E H 3> S+ 0 0 76 1,-0.2 4,-4.1 2,-0.2 5,-0.3 0.886 75.9 71.5 -66.1 -33.6 38.3 55.7 7.3 100 103 A V H <> S+ 0 0 22 -3,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.913 105.6 38.0 -43.4 -54.1 35.8 53.8 5.0 101 104 A I H > S+ 0 0 7 -3,-0.4 4,-2.5 -4,-0.2 3,-0.3 0.960 117.6 50.1 -63.8 -52.0 35.0 51.7 8.1 102 105 A A H X S+ 0 0 1 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.846 103.6 58.2 -57.8 -38.2 35.2 54.7 10.6 103 106 A R H X S+ 0 0 140 -4,-4.1 4,-2.3 2,-0.2 -1,-0.2 0.934 110.6 43.9 -59.1 -44.1 32.9 56.9 8.5 104 107 A T H X S+ 0 0 6 -4,-1.3 4,-2.6 -5,-0.3 -2,-0.2 0.976 115.5 48.7 -60.6 -54.6 30.2 54.3 8.7 105 108 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.832 111.5 48.4 -55.2 -38.9 30.9 53.7 12.4 106 109 A R H X S+ 0 0 93 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.968 110.0 52.1 -69.6 -47.7 30.9 57.5 13.3 107 110 A K H < S+ 0 0 96 -4,-2.3 -2,-0.2 -5,-0.3 3,-0.2 0.943 113.2 44.6 -50.1 -55.5 27.6 58.1 11.4 108 111 A L H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.963 111.2 54.3 -54.7 -55.4 25.9 55.2 13.3 109 112 A K H 3< S+ 0 0 73 -4,-2.3 2,-0.6 1,-0.3 -1,-0.2 0.818 109.0 46.0 -49.3 -44.4 27.4 56.3 16.7 110 113 A N T 3< S+ 0 0 113 -4,-2.5 -1,-0.3 -3,-0.2 -2,-0.1 -0.395 85.1 109.2-106.4 61.9 26.1 59.9 16.6 111 114 A Q < - 0 0 68 -3,-0.9 3,-0.4 -2,-0.6 -4,-0.0 -0.982 66.7-132.6-131.2 110.3 22.6 59.1 15.5 112 115 A P S S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.227 90.0 38.2 -62.3 155.6 20.0 59.7 18.2 113 116 A E S S+ 0 0 194 1,-0.1 2,-0.3 0, 0.0 0, 0.0 0.823 91.3 108.3 69.1 29.8 17.4 56.9 18.8 114 117 A L - 0 0 25 -3,-0.4 -3,-0.2 -5,-0.1 -1,-0.1 -0.817 63.0-147.3-139.0 88.5 20.2 54.3 18.2 115 118 A S > - 0 0 62 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.271 17.5-125.5 -58.1 147.1 21.1 52.6 21.4 116 119 A E H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.826 112.5 53.6 -64.4 -30.1 24.7 51.6 21.7 117 120 A D H > S+ 0 0 118 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.888 103.6 56.7 -72.6 -34.6 23.7 48.0 22.5 118 121 A T H > S+ 0 0 70 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.952 110.9 44.1 -60.0 -46.1 21.6 48.0 19.3 119 122 A I H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.920 111.2 53.8 -64.1 -42.7 24.8 48.9 17.4 120 123 A K H X S+ 0 0 76 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.906 108.0 50.0 -58.0 -43.6 26.9 46.3 19.3 121 124 A K H X S+ 0 0 143 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.803 107.7 52.9 -65.5 -33.3 24.4 43.5 18.5 122 125 A A H < S+ 0 0 10 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.832 111.3 48.1 -70.2 -33.5 24.4 44.4 14.8 123 126 A V H >< S+ 0 0 0 -4,-1.6 3,-2.3 1,-0.2 -2,-0.2 0.972 109.8 50.6 -69.9 -53.2 28.3 44.2 14.9 124 127 A E H 3< S+ 0 0 96 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.622 112.4 50.1 -59.7 -16.7 28.3 40.8 16.7 125 128 A S T 3< S+ 0 0 67 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.284 79.5 130.8-107.6 10.8 25.9 39.5 14.1 126 129 A L < + 0 0 3 -3,-2.3 2,-0.3 478,-0.1 -3,-0.1 -0.268 29.6 175.6 -60.9 154.0 27.7 40.5 11.0 127 130 A S + 0 0 34 474,-0.1 478,-2.5 505,-0.1 2,-0.3 -0.872 11.2 175.4-164.5 125.3 28.2 37.9 8.3 128 131 A L E +ab 240 605A 0 111,-2.9 113,-0.8 -2,-0.3 2,-0.3 -0.965 1.6 178.5-127.4 144.4 29.7 37.9 4.8 129 132 A E E -ab 241 606A 22 476,-1.8 478,-1.6 -2,-0.3 2,-0.6 -0.913 12.2-160.2-148.0 114.0 30.2 34.9 2.5 130 133 A L E -ab 242 607A 0 111,-1.9 113,-2.5 -2,-0.3 2,-0.7 -0.911 4.8-153.8-107.3 124.6 31.7 35.6 -1.0 131 134 A V E -ab 243 608A 0 476,-3.1 478,-2.0 -2,-0.6 113,-0.3 -0.884 11.3-145.9 -99.1 110.9 31.2 32.9 -3.6 132 135 A L E -ab 244 609A 2 111,-3.0 113,-1.8 -2,-0.7 114,-0.4 -0.479 16.8-168.5 -76.5 140.3 33.8 32.9 -6.3 133 136 A T - 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0 0 0 -5,-1.9 3,-2.6 1,-0.2 -3,-0.1 0.253 60.0 -21.5 51.1-166.7 39.9 26.1 7.0 385 388 A V T 34 S+ 0 0 12 1,-0.3 -113,-0.3 -5,-0.1 -1,-0.2 0.807 139.9 42.5 -40.5 -54.9 40.4 22.5 6.1 386 389 A P T 34 S- 0 0 12 0, 0.0 2,-2.7 0, 0.0 -1,-0.3 0.524 94.7-146.0 -73.9 -10.5 38.5 22.6 2.8 387 390 A L S << S+ 0 0 0 -3,-2.6 2,-0.4 -4,-0.5 -145,-0.2 -0.359 83.0 16.1 75.7 -61.8 40.2 25.9 2.0 388 391 A V S S- 0 0 6 -2,-2.7 -145,-0.2 -3,-0.1 -144,-0.1 -0.919 84.9-132.8-141.9 109.3 37.1 27.1 0.1 389 392 A R E -c 243 0A 70 -147,-0.9 -145,-2.7 -2,-0.4 77,-0.2 -0.266 26.1-137.2 -60.2 151.9 33.8 25.3 0.6 390 393 A I E -ce 244 466A 2 75,-2.3 77,-3.7 -147,-0.2 78,-0.5 -0.670 3.6-139.1-106.7 166.5 32.0 24.6 -2.7 391 394 A D E - 0 0 0 -147,-1.3 2,-0.4 -2,-0.2 78,-0.2 -0.960 13.0-142.3-121.5 141.8 28.4 24.9 -3.6 392 395 A I E - e 0 469A 0 76,-2.4 78,-3.0 -2,-0.4 2,-0.3 -0.857 21.7-179.3-102.7 145.2 26.6 22.2 -5.7 393 396 A R E +de 249 470A 4 -145,-1.9 -143,-2.2 -2,-0.4 -142,-1.3 -0.913 10.0 157.9-151.4 123.2 24.1 23.4 -8.3 394 397 A Q E - e 0 471A 11 76,-1.3 78,-1.2 -2,-0.3 -143,-0.1 -0.932 45.1 -93.7-134.0 157.0 21.9 21.5 -10.7 395 398 A E E > - e 0 472A 61 -2,-0.3 4,-0.8 76,-0.2 78,-0.2 -0.295 26.3-127.4 -75.0 158.4 18.7 22.3 -12.5 396 399 A S H >> S+ 0 0 10 76,-1.6 4,-1.9 1,-0.2 3,-1.3 0.934 107.9 64.0 -66.4 -44.4 15.4 21.3 -10.9 397 400 A T H 3> S+ 0 0 67 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.826 97.8 54.5 -46.2 -40.0 14.4 19.7 -14.2 398 401 A R H 3> S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.857 105.2 52.7 -72.0 -28.6 17.2 17.1 -13.8 399 402 A H H S+ 0 0 0 -4,-2.0 5,-1.4 1,-0.3 6,-0.8 0.881 111.7 49.7 -50.2 -46.2 9.6 5.6 -9.8 408 411 A R H ><5S+ 0 0 119 -4,-3.0 3,-1.4 1,-0.2 -1,-0.3 0.928 109.1 53.7 -63.8 -36.5 8.8 4.0 -13.2 409 412 A Y H 3<5S+ 0 0 116 -4,-2.1 -1,-0.2 -3,-0.4 -2,-0.2 0.920 109.9 47.5 -59.2 -41.1 11.5 1.4 -12.5 410 413 A L H 3<5S- 0 0 69 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.446 111.1-121.9 -76.8 -6.9 9.9 0.6 -9.2 411 414 A G T <<5S+ 0 0 68 -3,-1.4 -3,-0.2 -4,-0.6 -2,-0.1 0.575 79.6 120.6 73.6 12.4 6.4 0.3 -10.8 412 415 A I S > - 0 0 44 -2,-0.3 3,-1.5 1,-0.1 4,-0.8 -0.774 35.2-163.9-132.0 93.8 5.7 8.2 -13.1 415 418 A Y G >4 S+ 0 0 0 -12,-0.4 3,-0.8 -2,-0.4 -11,-0.1 0.798 85.0 65.9 -42.5 -40.0 6.6 11.2 -10.9 416 419 A E G 34 S+ 0 0 66 1,-0.2 -1,-0.3 -16,-0.2 -12,-0.1 0.229 105.1 43.3 -78.8 28.2 7.0 13.6 -13.9 417 420 A S G <4 S+ 0 0 86 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.437 88.3 104.9-135.6 -23.2 3.3 13.4 -14.7 418 421 A W S << S- 0 0 56 -4,-0.8 5,-0.0 -3,-0.8 -5,-0.0 -0.338 79.1-107.0 -65.5 147.9 1.8 13.6 -11.3 419 422 A S > - 0 0 60 1,-0.1 4,-2.0 4,-0.0 3,-0.3 -0.245 37.4-101.8 -61.8 167.2 0.2 16.9 -10.3 420 423 A E H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.742 122.2 57.6 -64.6 -28.1 2.2 19.0 -7.8 421 424 A A H > S+ 0 0 72 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.892 107.8 48.0 -73.2 -35.2 -0.1 17.9 -4.9 422 425 A D H > S+ 0 0 87 -3,-0.3 4,-3.3 2,-0.2 -2,-0.2 0.906 109.0 52.1 -66.7 -47.7 0.7 14.2 -5.7 423 426 A K H X S+ 0 0 30 -4,-2.0 4,-3.5 2,-0.2 5,-0.2 0.883 110.1 48.7 -58.0 -42.1 4.5 14.8 -5.9 424 427 A Q H X S+ 0 0 24 -4,-1.7 4,-3.8 2,-0.2 5,-0.3 0.944 112.1 50.2 -65.0 -39.2 4.5 16.5 -2.5 425 428 A A H X S+ 0 0 55 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.939 113.8 44.5 -59.9 -48.1 2.4 13.6 -1.2 426 429 A F H X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 5,-0.2 0.936 116.1 46.9 -62.5 -48.0 4.9 11.2 -2.6 427 430 A L H X S+ 0 0 0 -4,-3.5 4,-2.9 2,-0.2 -2,-0.2 0.901 112.9 46.9 -65.0 -42.9 7.9 13.2 -1.4 428 431 A I H X S+ 0 0 48 -4,-3.8 4,-1.5 -5,-0.2 -1,-0.2 0.931 112.2 52.7 -68.2 -34.5 6.6 13.7 2.2 429 432 A R H >X S+ 0 0 141 -4,-2.2 3,-0.8 -5,-0.3 4,-0.7 0.981 115.8 38.2 -57.0 -62.6 5.7 10.0 2.3 430 433 A E H >< S+ 0 0 21 -4,-2.4 3,-1.2 1,-0.3 -2,-0.2 0.878 109.0 61.1 -59.3 -42.2 9.2 8.9 1.3 431 434 A L H 3< S+ 0 0 16 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.861 111.4 41.8 -54.8 -33.0 11.0 11.6 3.3 432 435 A N H << S+ 0 0 102 -4,-1.5 -1,-0.3 -3,-0.8 -2,-0.2 0.617 94.1 112.6 -89.7 -9.9 9.4 10.0 6.4 433 436 A S << - 0 0 35 -3,-1.2 4,-0.1 -4,-0.7 -3,-0.0 -0.412 51.2-162.8 -71.1 135.2 10.0 6.5 5.3 434 437 A K S S+ 0 0 206 -2,-0.2 -1,-0.1 2,-0.1 -4,-0.1 0.530 72.8 83.2 -88.1 -13.8 12.4 4.2 7.2 435 438 A R S S- 0 0 197 1,-0.1 -2,-0.1 -5,-0.1 0, 0.0 -0.812 86.0-116.5 -96.0 138.2 12.6 1.7 4.2 436 439 A P - 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.015 22.0-167.6 -63.9 169.6 15.0 2.7 1.5 437 440 A L + 0 0 16 1,-0.1 52,-0.0 -4,-0.1 -27,-0.0 0.627 57.4 92.4-129.2 -33.4 14.0 3.5 -2.1 438 441 A L S S- 0 0 55 1,-0.1 -1,-0.1 51,-0.1 2,-0.0 -0.616 83.8-113.4 -73.9 118.2 17.1 3.5 -4.2 439 442 A P > - 0 0 28 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.300 19.4-125.7 -56.5 129.0 17.6 0.1 -5.7 440 443 A R T 3 S+ 0 0 226 1,-0.3 2,-0.5 -2,-0.0 -2,-0.0 0.885 100.0 13.8 -39.1 -64.4 20.7 -1.7 -4.4 441 444 A N T 3 S+ 0 0 120 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.873 89.5 167.6-124.4 97.1 22.3 -2.4 -7.8 442 445 A W < - 0 0 33 -2,-0.5 -4,-0.0 -3,-0.5 -2,-0.0 -0.587 33.8-145.2-109.4 169.4 20.5 -0.4 -10.5 443 446 A Q + 0 0 141 -2,-0.2 -2,-0.0 6,-0.0 6,-0.0 -0.407 33.8 162.1-131.7 54.9 21.0 0.6 -14.1 444 447 A P - 0 0 29 0, 0.0 2,-0.1 0, 0.0 -42,-0.0 0.027 44.9 -82.2 -71.4-177.0 19.8 4.1 -14.8 445 448 A S > - 0 0 49 1,-0.1 4,-2.4 -43,-0.1 5,-0.2 -0.377 45.8-100.5 -80.1 165.6 20.6 6.4 -17.7 446 449 A A H > S+ 0 0 85 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.956 121.3 49.7 -49.6 -58.3 23.8 8.5 -17.7 447 450 A E H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.949 112.1 45.9 -46.9 -63.0 22.0 11.6 -16.6 448 451 A T H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.865 111.0 53.5 -51.2 -42.0 20.1 10.1 -13.7 449 452 A R H X S+ 0 0 141 -4,-2.4 4,-4.4 2,-0.2 -1,-0.2 0.910 106.3 53.3 -62.0 -42.3 23.3 8.3 -12.5 450 453 A E H X S+ 0 0 48 -4,-2.7 4,-2.8 -3,-0.3 5,-0.3 0.959 109.5 48.2 -57.3 -50.5 25.1 11.7 -12.5 451 454 A V H X S+ 0 0 3 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.955 116.7 43.6 -53.9 -47.5 22.4 13.1 -10.4 452 455 A L H X S+ 0 0 28 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.933 113.0 51.0 -65.8 -42.9 22.6 10.1 -8.1 453 456 A D H >X S+ 0 0 41 -4,-4.4 4,-2.2 1,-0.2 3,-0.5 0.949 106.2 54.6 -61.0 -46.0 26.4 10.0 -8.0 454 457 A T H 3X S+ 0 0 4 -4,-2.8 4,-3.0 1,-0.3 -1,-0.2 0.921 105.6 51.0 -57.6 -43.7 26.8 13.7 -7.1 455 458 A C H 3X S+ 0 0 2 -4,-1.7 4,-2.9 -5,-0.3 -1,-0.3 0.857 108.3 55.7 -63.6 -28.7 24.5 13.3 -4.0 456 459 A Q H - 0 0 36 0, 0.0 3,-1.2 0, 0.0 4,-0.2 -0.303 53.9 -91.5 -58.7 137.1 33.5 15.5 5.3 463 466 A Q T 3 S+ 0 0 111 1,-0.2 -4,-0.0 2,-0.1 -5,-0.0 -0.280 114.1 34.3 -56.0 127.9 30.8 17.8 6.8 464 467 A G T 3 S+ 0 0 35 2,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.509 87.9 97.6 104.4 9.4 31.6 21.4 6.1 465 468 A S S < S+ 0 0 4 -3,-1.2 -75,-2.3 1,-0.2 2,-0.5 0.690 82.1 52.1 -91.5 -32.1 33.1 20.9 2.6 466 469 A I E -e 390 0A 15 -4,-0.2 -2,-0.3 -77,-0.2 -75,-0.2 -0.940 63.5-167.8-111.8 129.6 29.9 21.8 0.8 467 470 A A E - 0 0 9 -77,-3.7 2,-0.3 -2,-0.5 -76,-0.2 0.933 62.7 -23.9 -82.9 -47.0 28.1 25.0 1.7 468 471 A A E - 0 0 0 -78,-0.5 -76,-2.4 28,-0.1 2,-0.7 -0.999 47.6-117.0-163.0 161.5 24.7 24.5 -0.1 469 472 A Y E -ef 392 498A 3 28,-2.5 30,-3.0 -2,-0.3 2,-0.5 -0.907 33.9-161.9-106.8 114.1 22.7 22.8 -2.7 470 473 A V E -ef 393 499A 0 -78,-3.0 -76,-1.3 -2,-0.7 2,-0.9 -0.850 7.3-153.8 -98.2 132.6 21.3 25.4 -5.2 471 474 A I E > -ef 394 500A 0 28,-3.5 30,-2.0 -2,-0.5 3,-1.2 -0.812 10.4-157.1-103.3 94.9 18.4 24.4 -7.4 472 475 A S E 3 S+ef 395 501A 1 -78,-1.2 -76,-1.6 -2,-0.9 -75,-0.2 -0.463 80.4 24.7 -67.4 152.0 18.5 26.6 -10.5 473 476 A M T 3 S+ 0 0 64 28,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.671 79.9 174.2 63.3 28.7 15.0 26.8 -12.1 474 477 A A < + 0 0 1 -3,-1.2 -1,-0.2 27,-1.0 29,-0.2 -0.436 8.6 159.8 -58.9 120.0 13.1 26.1 -8.9 475 478 A K + 0 0 96 -2,-0.3 -1,-0.2 1,-0.2 39,-0.1 0.711 53.4 22.4-116.2 -27.8 9.4 26.6 -9.7 476 479 A T S >> S- 0 0 41 1,-0.1 3,-1.6 38,-0.0 4,-0.7 -0.897 79.2-100.0-136.5 172.8 7.4 24.7 -7.0 477 480 A P H >> S+ 0 0 13 0, 0.0 4,-1.9 0, 0.0 3,-0.8 0.854 118.9 62.1 -61.2 -30.6 7.5 23.4 -3.5 478 481 A S H 3> S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.808 91.8 67.3 -66.0 -24.8 8.2 19.9 -4.9 479 482 A D H <> S+ 0 0 16 -3,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.845 107.2 37.8 -63.7 -35.4 11.4 21.2 -6.4 480 483 A V H < S+ 0 0 64 -4,-1.7 3,-1.7 -3,-0.4 -1,-0.2 0.924 109.0 48.9 -68.5 -41.2 18.3 11.2 2.1 489 492 A E H 3< S+ 0 0 39 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.852 105.9 58.4 -66.3 -28.9 18.6 8.3 -0.3 490 493 A A T 3< S- 0 0 25 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.509 119.0-114.2 -79.7 0.1 22.3 9.2 -0.7 491 494 A G < - 0 0 51 -3,-1.7 2,-0.4 -5,-0.2 -3,-0.2 0.942 45.0-179.4 68.9 89.8 22.7 8.7 3.1 492 495 A I - 0 0 41 -4,-0.2 -1,-0.2 1,-0.1 -33,-0.1 -0.994 19.8-162.3-127.1 130.6 23.5 12.2 4.6 493 496 A G + 0 0 81 -2,-0.4 2,-0.2 -34,-0.2 -1,-0.1 0.690 69.3 48.7 -86.2 -19.0 24.0 12.6 8.3 494 497 A F S S- 0 0 47 -35,-0.0 2,-0.7 0, 0.0 -2,-0.0 -0.695 91.8 -91.6-118.8 169.9 23.6 16.4 8.5 495 498 A A - 0 0 68 -2,-0.2 -2,-0.1 33,-0.0 33,-0.0 -0.723 38.9-156.0 -87.0 115.9 21.1 19.0 7.4 496 499 A M - 0 0 8 -2,-0.7 2,-0.2 -12,-0.1 -28,-0.1 -0.838 19.1-121.9 -96.2 117.8 22.2 20.4 4.0 497 500 A P - 0 0 71 0, 0.0 -28,-2.5 0, 0.0 2,-0.4 -0.416 29.7-163.1 -56.7 115.2 20.9 23.9 3.2 498 501 A V E -f 469 0A 5 -2,-0.2 35,-0.5 -30,-0.2 -28,-0.2 -0.855 3.5-162.7-105.3 141.4 18.9 23.6 -0.1 499 502 A A E -f 470 0A 0 -30,-3.0 -28,-3.5 -2,-0.4 2,-0.2 -0.959 13.9-141.9-132.3 122.9 18.1 26.8 -2.0 500 503 A P E -f 471 0A 0 0, 0.0 35,-1.6 0, 0.0 2,-0.6 -0.579 15.4-148.9 -71.4 145.6 15.6 27.4 -4.7 501 504 A L E -fg 472 535A 1 -30,-2.0 -27,-1.0 33,-0.2 -28,-0.6 -0.950 9.0-164.6-115.3 100.0 16.9 29.7 -7.4 502 505 A F E + g 0 536A 2 33,-1.8 35,-2.6 -2,-0.6 39,-0.2 -0.774 21.4 160.3 -83.7 115.9 14.0 31.8 -8.8 503 506 A E + 0 0 16 -2,-0.6 2,-0.3 -29,-0.2 41,-0.2 -0.071 44.3 69.0-138.0 41.4 15.4 33.2 -12.1 504 507 A T S > S- 0 0 21 1,-0.2 4,-3.1 40,-0.1 5,-0.2 -0.951 84.9-109.1-147.5 158.7 12.4 34.2 -14.2 505 508 A L H > S+ 0 0 25 -2,-0.3 4,-3.7 36,-0.3 5,-0.2 0.976 119.8 40.8 -59.2 -54.3 9.7 37.0 -13.9 506 509 A D H > S+ 0 0 91 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.927 115.6 49.8 -62.1 -42.1 6.9 34.5 -13.0 507 510 A D H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.979 113.5 47.5 -61.3 -44.0 9.1 32.3 -10.8 508 511 A L H X S+ 0 0 2 -4,-3.1 4,-0.5 1,-0.2 3,-0.4 0.955 113.1 49.1 -55.9 -49.3 10.2 35.6 -9.0 509 512 A N H < S+ 0 0 95 -4,-3.7 4,-0.3 1,-0.2 3,-0.3 0.873 116.7 41.2 -59.5 -36.2 6.5 36.5 -8.9 510 513 A N H >X S+ 0 0 79 -4,-3.3 4,-2.8 -5,-0.2 3,-0.8 0.697 88.2 97.5 -86.8 -15.5 5.6 33.1 -7.4 511 514 A A H 3X S+ 0 0 0 -4,-2.3 4,-2.4 -3,-0.4 -1,-0.2 0.825 82.8 47.5 -39.4 -51.3 8.5 32.9 -5.1 512 515 A N H 3X S+ 0 0 39 -4,-0.5 4,-1.4 -3,-0.3 -1,-0.3 0.910 113.6 49.1 -67.0 -34.3 6.7 34.1 -2.0 513 516 A D H X> S+ 0 0 106 -3,-0.8 4,-1.9 -4,-0.3 3,-0.6 0.959 109.3 53.0 -66.2 -46.0 3.8 31.7 -2.7 514 517 A V H 3X S+ 0 0 12 -4,-2.8 4,-1.9 1,-0.3 -2,-0.2 0.895 112.3 45.0 -54.0 -45.6 6.3 28.8 -3.2 515 518 A M H 3X S+ 0 0 2 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.3 0.720 107.4 55.1 -76.9 -19.4 7.9 29.5 0.2 516 519 A T H X S+ 0 0 84 -4,-1.9 4,-1.1 2,-0.2 3,-1.0 0.982 112.8 49.2 -66.4 -51.1 3.5 26.6 1.2 518 521 A L H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.3 7,-0.3 0.940 111.8 48.7 -52.0 -50.4 6.9 25.1 2.0 519 522 A L H 3< S+ 0 0 7 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.752 104.5 61.1 -65.4 -19.3 6.9 26.8 5.4 520 523 A N H << S+ 0 0 104 -4,-1.2 2,-0.7 -3,-1.0 -1,-0.3 0.761 81.9 89.4 -78.7 -22.9 3.4 25.4 6.0 521 524 A I S S+ 0 0 120 -2,-0.7 4,-2.0 1,-0.2 5,-0.2 0.837 92.4 57.4 -53.1 -38.6 5.5 20.9 9.4 523 526 A W H > S+ 0 0 64 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.929 109.7 43.7 -58.6 -48.2 8.0 18.4 8.3 524 527 A Y H >> S+ 0 0 1 -3,-0.5 4,-1.6 -6,-0.2 3,-0.6 0.904 108.7 58.0 -63.0 -44.4 9.9 20.9 6.2 525 528 A R H 3X>S+ 0 0 95 -4,-2.2 5,-0.7 -7,-0.3 4,-0.5 0.939 109.0 44.4 -53.7 -50.1 9.8 23.5 8.9 526 529 A G H 3<5S+ 0 0 57 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.671 108.1 59.2 -72.1 -16.8 11.5 21.3 11.4 527 530 A L H <<5S+ 0 0 45 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.829 100.7 52.5 -83.6 -29.8 14.2 20.1 9.0 528 531 A I H <5S- 0 0 22 -4,-1.6 3,-0.3 -3,-0.4 -1,-0.2 0.621 98.1-136.9 -80.7 -10.4 15.7 23.5 8.1 529 532 A Q T <5 - 0 0 154 -4,-0.5 -3,-0.1 1,-0.2 -4,-0.1 0.916 68.1 -47.7 54.4 50.9 16.2 24.4 11.8 530 533 A G S + 0 0 2 -35,-2.6 4,-2.8 -2,-0.6 3,-0.5 -0.493 28.6 159.5 -97.9 71.1 18.3 35.4 -10.2 538 541 A Y H > S+ 0 0 20 -2,-1.1 4,-2.9 1,-0.2 -1,-0.2 0.929 73.5 52.9 -52.1 -52.2 18.3 39.1 -11.3 539 542 A S H > S+ 0 0 9 39,-0.4 4,-1.0 -3,-0.2 -1,-0.2 0.831 113.6 40.4 -56.7 -36.6 20.5 38.4 -14.3 540 543 A D H > S+ 0 0 17 -3,-0.5 4,-2.0 2,-0.2 3,-0.4 0.924 113.4 52.2 -83.5 -40.4 18.4 35.6 -15.8 541 544 A S H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.3 5,-0.4 0.947 106.5 56.6 -58.7 -40.7 15.0 37.3 -15.0 542 545 A A H X S+ 0 0 10 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.3 0.885 105.0 50.7 -56.1 -37.2 16.5 40.4 -16.8 543 546 A K H < S+ 0 0 30 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.874 114.0 48.2 -67.3 -32.6 17.1 38.1 -19.9 544 547 A D H < S+ 0 0 25 -4,-2.0 -2,-0.2 -3,-0.2 -3,-0.1 0.993 135.2 1.2 -67.5 -62.1 13.4 37.1 -19.5 545 548 A A H < S- 0 0 0 -4,-2.3 4,-0.4 1,-0.3 120,-0.2 0.197 106.3 -94.4-115.7 9.8 11.6 40.4 -19.1 546 549 A G X - 0 0 3 -4,-2.3 4,-1.8 -5,-0.4 -1,-0.3 -0.002 47.6 -77.0 91.1 159.6 14.2 43.3 -19.3 547 550 A V H > S+ 0 0 7 173,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.775 122.5 54.2 -67.0 -34.1 16.1 45.0 -16.4 548 551 A M H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 110,-0.2 0.960 114.7 39.0 -68.1 -47.5 13.3 47.3 -15.2 549 552 A A H > S+ 0 0 0 -4,-0.4 4,-3.1 109,-0.3 5,-0.2 0.904 116.5 52.9 -65.3 -43.4 10.7 44.6 -14.7 550 553 A A H X S+ 0 0 0 -4,-1.8 4,-3.4 1,-0.2 -2,-0.2 0.975 110.5 47.3 -55.9 -55.9 13.3 42.2 -13.4 551 554 A S H X S+ 0 0 11 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.880 114.5 45.3 -53.3 -46.2 14.5 44.8 -10.8 552 555 A W H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.906 112.4 52.0 -70.0 -37.5 11.0 45.6 -9.6 553 556 A A H X S+ 0 0 3 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.949 110.9 47.7 -61.9 -46.5 10.1 41.9 -9.5 554 557 A Q H X S+ 0 0 25 -4,-3.4 4,-2.6 -5,-0.2 5,-0.3 0.938 109.3 53.9 -60.4 -44.1 13.2 41.2 -7.4 555 558 A Y H X S+ 0 0 8 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.893 112.3 44.2 -52.1 -48.8 12.3 44.1 -5.1 556 559 A Q H X S+ 0 0 68 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.937 111.5 51.9 -63.6 -48.8 8.9 42.8 -4.5 557 560 A A H X S+ 0 0 6 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.915 110.6 47.4 -59.3 -46.2 9.9 39.1 -4.0 558 561 A Q H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.882 111.5 51.9 -63.5 -34.8 12.6 40.0 -1.4 559 562 A D H X S+ 0 0 11 -4,-1.5 4,-1.8 -5,-0.3 -1,-0.2 0.964 112.4 45.3 -66.2 -43.2 10.2 42.2 0.5 560 563 A A H X S+ 0 0 29 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.941 114.5 47.0 -65.3 -48.1 7.5 39.4 0.6 561 564 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.4 0.901 109.1 54.1 -60.5 -40.7 10.0 36.7 1.7 562 565 A I H X S+ 0 0 11 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.966 114.2 43.2 -56.5 -49.4 11.5 38.8 4.4 563 566 A K H X S+ 0 0 92 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.931 113.3 49.8 -61.3 -54.9 8.1 39.4 5.8 564 567 A T H X S+ 0 0 32 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.967 113.7 45.6 -52.1 -58.3 6.9 35.8 5.4 565 568 A C H X>S+ 0 0 2 -4,-2.6 5,-2.4 1,-0.2 4,-0.8 0.876 109.7 56.1 -55.2 -36.7 10.0 34.4 7.2 566 569 A E H ><5S+ 0 0 101 -4,-2.0 3,-1.1 -5,-0.4 -1,-0.2 0.965 108.8 46.4 -61.8 -47.2 9.7 37.0 9.9 567 570 A K H 3<5S+ 0 0 197 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.988 116.4 45.1 -52.8 -60.2 6.2 35.9 10.6 568 571 A A H 3<5S- 0 0 44 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.465 112.3-118.9 -60.8 -9.0 7.3 32.2 10.6 569 572 A G T <<5 + 0 0 60 -3,-1.1 2,-0.4 -4,-0.8 -3,-0.2 0.803 63.6 144.2 71.4 28.1 10.4 32.9 12.7 570 573 A I < - 0 0 17 -5,-2.4 2,-1.1 -6,-0.2 -1,-0.2 -0.831 53.6-128.4-102.4 133.3 12.9 31.8 10.1 571 574 A E E -h 531 0A 99 -41,-2.3 -39,-1.1 -2,-0.4 2,-0.1 -0.685 32.8-153.4 -81.1 101.0 16.2 33.5 9.6 572 575 A L E -h 532 0A 21 -2,-1.1 2,-0.4 -41,-0.2 31,-0.2 -0.465 11.9-164.7 -76.5 147.2 16.2 34.2 5.8 573 576 A T E -h 533 0A 27 -41,-0.6 -39,-1.5 -2,-0.1 2,-0.4 -0.939 10.2-149.6-133.1 111.2 19.4 34.5 3.8 574 577 A L E -h 534 0A 6 -2,-0.4 2,-0.6 26,-0.4 32,-0.6 -0.661 9.4-153.2 -81.9 129.9 19.1 36.1 0.4 575 578 A F E -hi 535 606A 0 -41,-2.3 -39,-2.1 -2,-0.4 2,-0.3 -0.939 12.7-144.2-103.7 118.4 21.7 34.7 -1.9 576 579 A H E -hi 536 607A 11 30,-2.7 32,-1.4 -2,-0.6 -39,-0.1 -0.646 9.1-149.7 -88.3 136.5 22.6 37.2 -4.7 577 580 A G - 0 0 13 -41,-1.1 31,-0.6 -2,-0.3 2,-0.2 0.102 41.3 -48.7 -79.2-157.5 23.4 36.0 -8.2 578 581 A R S S- 0 0 29 29,-0.1 -39,-0.4 31,-0.1 -1,-0.2 -0.555 92.2 -17.6 -80.4 134.4 25.7 37.7 -10.7 579 582 A G S > S+ 0 0 11 29,-0.4 4,-0.8 -2,-0.2 3,-0.4 -0.339 72.1 117.8 69.3-146.5 25.9 41.3 -11.8 580 583 A G T 4 S- 0 0 3 1,-0.2 294,-0.1 2,-0.2 -1,-0.1 -0.386 93.1 -55.7 77.4-166.1 23.1 43.8 -11.2 581 584 A S T >4 S+ 0 0 24 1,-0.2 3,-0.9 2,-0.1 11,-0.3 0.715 135.9 62.6 -88.0 -18.4 23.8 46.8 -9.0 582 585 A I T 34 S+ 0 0 15 -3,-0.4 3,-0.4 1,-0.2 -1,-0.2 0.738 101.9 52.1 -76.2 -22.9 25.0 44.7 -6.1 583 586 A G T 3< S+ 0 0 3 -4,-0.8 -1,-0.2 1,-0.2 -3,-0.2 0.080 80.0 99.0-100.6 26.4 27.8 43.3 -8.2 584 587 A R S < S- 0 0 14 -3,-0.9 -1,-0.2 -5,-0.1 288,-0.1 0.750 77.3-142.6 -81.1 -27.9 29.1 46.8 -9.2 585 588 A G > + 0 0 9 -3,-0.4 4,-1.4 1,-0.2 -1,-0.1 0.005 55.5 28.5 81.2 163.7 31.8 46.8 -6.6 586 589 A G H > S- 0 0 33 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.035 121.1 -12.2 53.6-146.8 32.9 49.9 -4.6 587 590 A A H > S+ 0 0 56 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.925 132.9 55.7 -55.6 -49.2 30.8 52.8 -3.8 588 591 A P H > S+ 0 0 10 0, 0.0 4,-3.6 0, 0.0 -1,-0.2 0.900 107.1 50.9 -53.3 -42.7 27.9 51.9 -6.1 589 592 A A H X S+ 0 0 2 -4,-1.4 4,-3.7 -3,-0.3 5,-0.3 0.931 108.3 50.9 -62.4 -45.2 27.7 48.5 -4.4 590 593 A H H X S+ 0 0 40 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.924 113.2 47.0 -56.4 -42.8 27.5 50.1 -0.9 591 594 A A H X S+ 0 0 47 -4,-2.8 4,-1.1 -5,-0.2 3,-0.3 0.997 114.2 47.8 -60.6 -55.3 24.8 52.3 -2.3 592 595 A A H < S+ 0 0 2 -4,-3.6 3,-0.5 -11,-0.3 -2,-0.2 0.842 107.7 52.8 -56.8 -40.2 23.1 49.2 -3.8 593 596 A L H >< S+ 0 0 1 -4,-3.7 3,-0.7 1,-0.2 -1,-0.2 0.947 110.8 49.8 -62.7 -40.6 23.3 47.0 -0.7 594 597 A L H 3< S+ 0 0 35 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.725 99.8 67.1 -68.1 -22.5 21.6 49.8 1.2 595 598 A S T 3< S+ 0 0 10 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.1 -0.046 79.1 106.4 -91.6 32.7 18.8 50.2 -1.4 596 599 A Q S < S- 0 0 13 -3,-0.7 3,-0.1 1,-0.1 5,-0.1 -0.833 86.0 -76.4-110.9 153.5 17.2 46.8 -0.7 597 600 A P > - 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