==== 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 METAL TRANSPORT 23-NOV-09 3KSS . COMPND 2 MOLECULE: CATION EFFLUX SYSTEM PROTEIN CUSA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.-C.SU . 1015 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 760 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 12.4 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 77 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 427 42.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.1 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 3 3 3 1 2 3 1 2 2 0 1 1 2 0 1 0 2 2 0 0 0 0 1 0 0 4 RESIDUES PER ALPHA HELIX . 1 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 3 5 2 3 4 3 4 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 . 6 0 3 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 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 5 A I 0 0 161 0, 0.0 3,-0.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -27.9 3.4 11.2 35.1 2 6 A I > + 0 0 25 1,-0.2 3,-1.2 2,-0.1 4,-0.1 0.739 360.0 71.8 -80.6 -25.3 1.0 14.0 36.1 3 7 A R G >> S+ 0 0 129 1,-0.3 3,-2.9 2,-0.2 4,-0.6 0.732 72.3 83.6 -69.4 -24.1 -1.6 13.5 33.4 4 8 A R G 34 S+ 0 0 171 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.645 89.0 56.8 -56.4 -13.0 -3.1 10.3 34.6 5 9 A S G <4 S+ 0 0 29 -3,-1.2 3,-0.4 1,-0.2 7,-0.3 0.466 93.1 67.7 -96.9 -3.5 -5.3 12.3 37.0 6 10 A V T X4 S+ 0 0 48 -3,-2.9 3,-0.8 1,-0.2 -2,-0.2 0.702 82.1 70.8 -91.1 -22.1 -6.9 14.4 34.2 7 11 A A T 3< S+ 0 0 70 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.419 113.8 33.0 -71.3 4.0 -8.9 11.6 32.6 8 12 A N T >> + 0 0 42 -3,-0.4 4,-1.0 2,-0.0 3,-0.6 -0.318 64.5 158.9-158.9 62.8 -10.9 11.9 35.8 9 13 A R H X> S+ 0 0 139 -3,-0.8 4,-2.1 1,-0.3 3,-0.5 0.874 80.3 60.0 -56.8 -39.9 -11.1 15.5 37.1 10 14 A F H 3> S+ 0 0 104 1,-0.2 4,-3.8 2,-0.2 5,-0.5 0.887 95.7 63.9 -54.1 -40.5 -14.2 14.6 39.0 11 15 A L H <> S+ 0 0 82 -3,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.882 108.6 37.4 -53.4 -46.2 -12.1 12.0 40.9 12 16 A V H S+ 0 0 47 2,-0.2 4,-2.9 3,-0.2 -2,-0.2 0.848 110.6 48.0 -69.4 -37.7 -11.0 16.9 52.1 20 24 A S H X S+ 0 0 78 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.910 118.5 39.6 -69.7 -42.7 -13.3 19.9 52.6 21 25 A I H X S+ 0 0 130 -4,-1.0 4,-0.6 2,-0.2 -2,-0.2 0.873 122.5 42.5 -76.1 -38.5 -15.9 17.9 54.5 22 26 A W H X S+ 0 0 100 -4,-2.7 4,-2.5 2,-0.1 3,-0.5 0.943 114.7 53.3 -67.9 -50.2 -13.2 16.0 56.4 23 27 A G H X S+ 0 0 1 -4,-2.9 4,-3.0 -5,-0.2 5,-0.4 0.957 101.8 52.2 -48.4 -75.4 -11.1 19.1 56.9 24 28 A T H X S+ 0 0 86 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.726 115.5 46.9 -37.4 -33.0 -13.7 21.5 58.5 25 29 A W H X S+ 0 0 143 -4,-0.6 4,-2.4 -3,-0.5 5,-0.3 0.963 114.7 41.5 -75.0 -57.0 -14.3 18.6 61.0 26 30 A T H X S+ 0 0 2 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.827 121.0 45.1 -63.1 -32.5 -10.7 17.7 61.9 27 31 A I H < S+ 0 0 67 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.941 115.8 42.9 -75.4 -49.5 -9.7 21.4 62.0 28 32 A I H < S+ 0 0 124 -4,-1.5 -2,-0.2 -5,-0.4 -3,-0.2 0.827 117.8 46.6 -69.2 -30.9 -12.6 22.7 64.0 29 33 A N H < S+ 0 0 83 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.859 85.3 105.2 -81.4 -37.5 -12.7 19.8 66.5 30 34 A T S < S- 0 0 31 -4,-1.2 2,-0.2 -5,-0.3 354,-0.0 0.032 77.7-101.4 -47.6 153.1 -8.9 19.6 67.4 31 35 A P - 0 0 50 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.514 36.4-158.8 -82.3 145.4 -7.8 20.9 70.8 32 36 A V + 0 0 36 -2,-0.2 262,-0.8 351,-0.1 261,-0.3 -0.984 20.1 152.2-132.8 134.1 -6.0 24.2 71.1 33 37 A D - 0 0 27 -2,-0.4 2,-0.3 259,-0.1 351,-0.2 -0.967 40.7-111.4-145.9 161.7 -3.7 25.8 73.7 34 38 A A S S+ 0 0 1 -2,-0.3 351,-0.1 351,-0.2 293,-0.1 -0.757 88.8 20.0 -91.1 144.8 -1.0 28.5 73.7 35 39 A L S S- 0 0 5 -2,-0.3 -1,-0.1 349,-0.1 3,-0.1 0.834 86.8-110.5 65.7 111.9 2.5 27.2 74.4 36 40 A P - 0 0 6 0, 0.0 2,-0.6 0, 0.0 347,-0.1 -0.278 43.9 -88.5 -61.9 155.7 3.3 23.5 73.8 37 41 A D + 0 0 76 1,-0.2 -2,-0.1 2,-0.1 348,-0.0 -0.599 61.0 155.5 -67.3 117.5 3.9 21.4 76.9 38 42 A L + 0 0 10 -2,-0.6 -1,-0.2 2,-0.1 425,-0.1 0.166 42.7 99.8-131.4 15.0 7.7 21.8 77.4 39 43 A S S S- 0 0 0 1,-0.2 614,-0.1 3,-0.0 -2,-0.1 0.723 85.2-137.3 -67.2 -21.3 7.9 21.0 81.1 40 44 A D - 0 0 49 419,-0.1 2,-0.5 612,-0.1 -1,-0.2 -0.091 32.5 -45.8 81.2 174.8 9.0 17.6 79.9 41 45 A V S S+ 0 0 22 52,-0.3 52,-1.9 -3,-0.1 2,-0.3 -0.672 74.9 138.1 -85.2 123.5 7.9 14.1 81.3 42 46 A Q E -A 92 0A 27 -2,-0.5 2,-0.4 50,-0.2 50,-0.2 -0.974 43.9-133.0-156.1 163.6 8.0 13.8 85.0 43 47 A V E -A 91 0A 7 48,-1.7 48,-1.3 -2,-0.3 2,-0.3 -0.980 21.6-145.9-128.0 119.7 6.0 12.4 88.0 44 48 A I E -A 90 0A 12 -2,-0.4 82,-2.7 46,-0.2 2,-0.4 -0.634 10.3-169.0 -87.8 139.0 5.5 14.6 91.1 45 49 A I E -AB 89 125A 0 44,-1.1 44,-1.3 -2,-0.3 80,-0.2 -0.699 7.8-170.9-130.2 82.6 5.4 13.0 94.6 46 50 A K E -AB 88 124A 18 78,-1.1 78,-3.0 -2,-0.4 2,-0.4 -0.503 4.7-178.4 -74.8 136.6 4.1 15.4 97.2 47 51 A T E -AB 87 123A 1 40,-0.9 40,-2.6 -2,-0.2 2,-0.3 -0.967 12.1-152.5-135.2 121.0 4.4 14.4 100.9 48 52 A S E -A 86 0A 55 74,-0.6 74,-0.3 -2,-0.4 38,-0.2 -0.689 11.2-173.3 -96.6 147.5 3.1 16.7 103.6 49 53 A Y - 0 0 25 36,-2.7 3,-0.1 -2,-0.3 -2,-0.0 -0.989 27.3-132.0-136.5 122.6 4.3 17.0 107.2 50 54 A P S S- 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.890 83.1 -20.8 -43.2 -70.9 2.3 19.2 109.5 51 55 A G S S+ 0 0 26 -3,-0.1 2,-0.2 2,-0.0 680,-0.1 -0.940 88.5 117.1-132.6 156.5 5.2 21.1 111.0 52 56 A Q - 0 0 61 -2,-0.3 32,-0.1 -3,-0.1 3,-0.0 -0.713 50.9 -82.7-174.9-130.0 8.9 20.0 111.0 53 57 A A > - 0 0 22 30,-0.2 4,-2.2 -2,-0.2 5,-0.4 -0.955 35.5-101.7-171.6 148.9 12.3 20.9 109.7 54 58 A P T 4 S+ 0 0 3 0, 0.0 4,-0.3 0, 0.0 5,-0.2 0.708 120.4 47.1 -52.7 -24.8 14.5 20.6 106.5 55 59 A Q T > S+ 0 0 86 2,-0.1 4,-3.2 3,-0.1 3,-0.4 0.935 118.0 34.8 -84.8 -51.9 16.4 17.8 108.2 56 60 A I T 4 S+ 0 0 54 1,-0.2 4,-0.3 2,-0.2 5,-0.2 0.480 110.8 63.6 -87.4 -1.9 13.7 15.6 109.6 57 61 A V T <>S+ 0 0 0 -4,-2.2 5,-1.1 3,-0.2 4,-0.5 0.675 119.7 27.0 -84.8 -22.4 11.4 16.3 106.7 58 62 A E T 4>S+ 0 0 5 -3,-0.4 5,-2.8 -5,-0.4 4,-0.2 0.840 121.4 51.1 -94.5 -65.1 14.0 14.6 104.6 59 63 A N T <5S+ 0 0 89 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.1 0.777 122.1 37.0 -38.5 -35.3 15.6 12.3 107.1 60 64 A Q T 5S+ 0 0 91 -4,-0.3 -1,-0.2 -5,-0.2 -3,-0.2 0.914 135.1 4.1 -90.3 -50.2 12.1 11.1 107.9 61 65 A V T >5S+ 0 0 1 -4,-0.5 4,-0.8 -5,-0.2 -3,-0.2 0.828 127.8 41.6-113.2 -44.1 10.1 11.0 104.7 62 66 A T H > S+ 0 0 28 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.720 119.0 50.3 -80.0 -23.3 12.9 6.8 102.2 65 69 A L H X S+ 0 0 0 -4,-0.8 4,-1.0 -7,-0.2 -2,-0.2 0.927 112.5 41.4 -82.6 -48.8 11.1 8.2 99.2 66 70 A T H < S+ 0 0 0 -4,-3.2 4,-0.5 1,-0.2 -3,-0.2 0.894 115.5 51.7 -64.3 -41.1 14.0 9.2 97.0 67 71 A T H >< S+ 0 0 68 -4,-0.8 3,-0.6 -5,-0.4 4,-0.3 0.822 106.9 50.2 -72.1 -33.9 16.0 6.1 97.7 68 72 A T H >< S+ 0 0 30 -4,-0.9 3,-0.8 1,-0.2 -1,-0.2 0.792 106.6 58.8 -72.3 -25.1 13.3 3.6 96.9 69 73 A M G >< S+ 0 0 1 -4,-1.0 3,-0.8 1,-0.2 -1,-0.2 0.597 83.1 80.2 -82.2 -11.0 12.7 5.3 93.6 70 74 A L G < S+ 0 0 74 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.1 0.809 95.0 48.7 -62.2 -28.3 16.3 4.8 92.4 71 75 A S G < S+ 0 0 81 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.542 80.4 121.6 -92.8 -9.3 15.4 1.3 91.4 72 76 A V S X S- 0 0 5 -3,-0.8 3,-1.7 -4,-0.2 2,-0.2 -0.300 76.3 -98.1 -60.6 135.2 12.2 2.1 89.5 73 77 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 35,-0.1 -0.373 104.2 7.4 -56.7 117.1 12.3 0.9 85.8 74 78 A G T 3 S+ 0 0 55 1,-0.3 20,-0.4 -2,-0.2 2,-0.2 0.390 82.1 156.4 97.3 -2.0 13.3 3.7 83.5 75 79 A A < - 0 0 31 -3,-1.7 -1,-0.3 1,-0.1 18,-0.2 -0.397 19.1-176.1 -64.4 126.0 14.1 6.4 86.1 76 80 A K - 0 0 101 16,-2.2 2,-0.4 1,-0.3 17,-0.2 0.951 69.4 -6.1 -84.6 -68.4 16.5 9.1 84.6 77 81 A T E -C 92 0A 21 15,-0.8 15,-1.9 2,-0.1 2,-0.7 -0.999 55.8-156.8-132.2 135.9 17.2 11.3 87.7 78 82 A V E +C 91 0A 2 -2,-0.4 717,-1.6 13,-0.2 718,-0.9 -0.723 32.3 154.5-110.8 79.4 15.6 11.1 91.1 79 83 A R E +CD 90 794A 19 -2,-0.7 11,-1.3 11,-0.7 2,-0.3 -0.936 15.6 179.8-112.4 121.1 16.0 14.6 92.6 80 84 A G E -CD 89 793A 1 713,-0.9 713,-1.1 -2,-0.5 2,-0.7 -0.900 25.9-128.7-122.8 149.9 13.6 15.8 95.2 81 85 A F E -CD 88 792A 47 7,-3.2 7,-2.7 -2,-0.3 2,-0.3 -0.859 23.7-172.6 -98.4 112.4 13.2 19.0 97.2 82 86 A S E +CD 87 791A 0 709,-2.0 709,-2.3 -2,-0.7 2,-0.3 -0.802 19.5 150.3 -97.9 146.5 12.8 18.4 101.0 83 87 A Q E > -C 86 0A 12 3,-2.3 3,-1.0 -2,-0.3 -30,-0.2 -0.956 52.1 -40.3-161.4 173.7 12.0 21.5 103.1 84 88 A F T 3 S- 0 0 117 705,-0.5 -35,-0.1 -2,-0.3 3,-0.0 -0.282 124.8 -15.4 -46.0 106.7 10.3 22.8 106.3 85 89 A G T 3 S+ 0 0 1 -2,-0.2 -36,-2.7 -37,-0.1 2,-0.3 0.181 125.1 71.3 86.2 -18.6 7.1 20.7 106.5 86 90 A D E < -AC 48 83A 23 -3,-1.0 -3,-2.3 -38,-0.2 2,-0.4 -0.958 53.3-159.0-137.6 154.0 7.0 19.3 103.0 87 91 A S E -AC 47 82A 0 -40,-2.6 -40,-0.9 -2,-0.3 2,-0.6 -0.866 12.2-177.2-133.4 99.8 8.8 16.8 100.7 88 92 A Y E -AC 46 81A 1 -7,-2.7 -7,-3.2 -2,-0.4 2,-0.5 -0.867 6.7-171.8-101.5 119.5 8.4 17.2 97.0 89 93 A V E -AC 45 80A 0 -44,-1.3 -44,-1.1 -2,-0.6 2,-0.4 -0.937 4.3-160.8-118.7 118.2 10.1 14.4 94.9 90 94 A Y E -AC 44 79A 3 -11,-1.3 -11,-0.7 -2,-0.5 2,-0.5 -0.772 4.7-162.0 -99.3 139.0 10.4 14.6 91.1 91 95 A V E -AC 43 78A 0 -48,-1.3 -48,-1.7 -2,-0.4 2,-0.4 -0.983 12.4-157.6-116.2 119.3 11.1 11.7 88.8 92 96 A I E -AC 42 77A 10 -15,-1.9 -16,-2.2 -2,-0.5 -15,-0.8 -0.816 7.4-168.1 -98.1 133.7 12.3 12.6 85.4 93 97 A F - 0 0 3 -52,-1.9 -52,-0.3 -2,-0.4 3,-0.1 -0.813 36.4 -85.5-113.2 160.8 12.0 10.3 82.4 94 98 A E - 0 0 145 -20,-0.4 -1,-0.1 -2,-0.3 -54,-0.0 -0.367 63.4 -84.7 -60.8 140.8 13.5 10.5 78.9 95 99 A D S S+ 0 0 80 1,-0.2 -1,-0.1 -2,-0.0 -3,-0.0 -0.089 109.8 30.6 -47.4 142.4 11.5 12.7 76.6 96 100 A G S S+ 0 0 81 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.975 75.3 143.6 72.1 59.0 8.7 10.9 74.8 97 101 A T - 0 0 36 -4,-0.1 -1,-0.2 0, 0.0 5,-0.1 -0.998 65.8 -95.7-127.8 128.5 7.5 8.2 77.2 98 102 A D > - 0 0 99 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 -0.168 39.6-148.1 -42.1 102.4 3.9 7.2 77.6 99 103 A P H > S+ 0 0 76 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.886 94.7 49.2 -47.1 -54.9 3.1 9.5 80.6 100 104 A Y H > S+ 0 0 101 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.916 112.7 49.2 -54.6 -45.5 0.5 7.2 82.1 101 105 A W H > S+ 0 0 97 -3,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.946 111.4 49.1 -52.5 -51.0 3.0 4.3 81.7 102 106 A A H X S+ 0 0 1 -4,-2.8 4,-2.0 1,-0.3 -2,-0.2 0.875 112.3 47.9 -61.2 -38.8 5.7 6.4 83.3 103 107 A R H X S+ 0 0 64 -4,-3.1 4,-1.3 -5,-0.2 -1,-0.3 0.833 110.1 54.0 -68.4 -33.7 3.3 7.3 86.1 104 108 A S H X S+ 0 0 56 -4,-2.4 4,-0.9 -5,-0.3 -2,-0.2 0.937 108.3 48.0 -65.7 -47.6 2.5 3.6 86.4 105 109 A R H >X S+ 0 0 61 -4,-2.7 3,-1.1 1,-0.2 4,-0.5 0.922 106.4 57.5 -59.1 -46.6 6.1 2.6 86.8 106 110 A V H >X S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.3 4,-0.5 0.877 101.2 57.7 -50.6 -41.8 6.7 5.2 89.4 107 111 A L H >X S+ 0 0 87 -4,-1.3 3,-1.3 1,-0.2 4,-1.1 0.807 83.8 84.2 -63.8 -31.4 4.0 3.7 91.5 108 112 A E H << S+ 0 0 57 -3,-1.1 3,-0.4 -4,-0.9 4,-0.3 0.857 105.5 25.7 -34.9 -54.8 5.7 0.3 91.6 109 113 A Y H << S+ 0 0 64 -3,-0.8 4,-0.3 -4,-0.5 -1,-0.3 0.447 101.7 84.2 -99.3 -1.1 7.9 1.3 94.5 110 114 A L H > S+ 0 0 1 -3,-0.4 3,-1.7 -4,-0.3 4,-1.1 0.730 81.2 86.6-107.8 -28.5 7.4 2.9 101.1 114 118 A Q T 3< S+ 0 0 68 -4,-0.8 3,-0.3 1,-0.3 -2,-0.1 0.806 95.2 46.1 -46.9 -38.3 4.1 3.9 102.6 115 119 A G T 34 S+ 0 0 77 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.701 104.9 60.5 -80.9 -20.0 4.8 1.9 105.8 116 120 A K T <4 S+ 0 0 149 -3,-1.7 -1,-0.2 -4,-0.1 -2,-0.2 0.666 95.9 70.6 -84.1 -18.9 8.3 3.2 106.3 117 121 A L S < S- 0 0 10 -4,-1.1 -56,-0.1 -3,-0.3 3,-0.1 -0.452 97.1 -66.7 -95.4 173.2 7.3 6.8 106.6 118 122 A P - 0 0 34 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.426 59.7 -76.6 -55.8-172.0 5.4 8.4 109.6 119 123 A A S S- 0 0 97 1,-0.2 2,-2.1 3,-0.0 3,-0.1 -0.726 111.6 -4.7 -87.0 137.8 1.9 7.9 110.9 120 124 A G S S+ 0 0 82 -2,-0.4 -1,-0.2 1,-0.2 2,-0.1 -0.110 103.2 118.4 73.3 -43.6 -0.9 9.6 108.9 121 125 A V - 0 0 20 -2,-2.1 2,-0.3 -74,-0.1 -1,-0.2 -0.360 48.9-173.7 -55.5 127.8 1.8 11.2 106.8 122 126 A S - 0 0 62 -74,-0.3 -74,-0.6 -3,-0.1 2,-0.4 -0.937 26.3-116.1-134.8 151.0 1.1 9.9 103.3 123 127 A A E -B 47 0A 8 -2,-0.3 2,-0.5 -76,-0.1 -76,-0.2 -0.708 28.3-156.5 -88.0 133.2 2.7 10.0 99.8 124 128 A E E -B 46 0A 90 -78,-3.0 -78,-1.1 -2,-0.4 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179.6-168.5 138.8 -7.6 34.3 85.0 322 326 A D E >> -G 136 0B 14 -2,-0.3 3,-2.8 -186,-0.2 4,-0.5 -0.609 8.2-169.3-150.3 85.8 -9.1 33.0 81.8 323 327 A R H >> S+ 0 0 7 -188,-1.2 4,-2.0 1,-0.3 3,-0.5 0.783 82.9 77.7 -44.9 -29.9 -6.7 31.2 79.5 324 328 A S H 3> S+ 0 0 10 1,-0.2 4,-3.6 2,-0.2 -1,-0.3 0.825 85.8 60.0 -50.1 -37.0 -9.5 31.3 76.9 325 329 A Q H <> S+ 0 0 102 -3,-2.8 4,-3.2 2,-0.2 -1,-0.2 0.922 106.6 42.9 -63.9 -46.6 -8.8 35.0 76.3 326 330 A L H X S+ 0 0 106 -4,-1.0 4,-2.2 1,-0.2 3,-0.6 0.956 113.6 54.9 -59.9 -48.5 -7.9 35.7 54.7 340 344 A E H 3X S+ 0 0 49 -4,-2.9 4,-1.8 1,-0.3 -1,-0.2 0.823 106.5 53.6 -53.4 -29.9 -5.9 38.8 54.5 341 345 A E H 3X S+ 0 0 3 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.3 0.857 105.4 51.6 -75.7 -36.3 -3.3 36.7 52.6 342 346 A F H X S+ 0 0 8 -4,-2.9 4,-3.6 1,-0.2 3,-0.8 0.949 105.7 56.3 -56.7 -51.1 -2.8 38.3 40.6 350 354 A A H 3< S+ 0 0 36 -4,-2.8 4,-0.3 1,-0.3 5,-0.3 0.815 108.8 47.3 -53.6 -34.6 -5.3 40.8 39.2 351 355 A L H 3< S+ 0 0 104 -4,-1.5 -1,-0.3 3,-0.2 -2,-0.2 0.774 119.7 38.8 -77.8 -27.2 -2.4 43.2 38.5 352 356 A F H << S+ 0 0 33 -4,-1.3 -2,-0.2 -3,-0.8 -3,-0.2 0.815 131.3 23.9 -94.5 -36.0 -0.3 40.5 36.9 353 357 A L S < S- 0 0 23 -4,-3.6 -3,-0.2 -5,-0.1 -2,-0.1 0.147 104.6-119.6-112.3 16.1 -2.8 38.4 34.9 354 358 A W S S- 0 0 171 -5,-0.4 -4,-0.2 -4,-0.3 -3,-0.2 0.933 79.3 -28.3 36.6 67.9 -5.3 41.3 34.7 355 359 A H S S+ 0 0 117 -5,-0.3 2,-0.3 -9,-0.2 -8,-0.0 0.693 77.9 165.8 71.5 127.6 -8.0 39.4 36.6 356 360 A V > - 0 0 42 -10,-0.1 3,-1.3 0, 0.0 -1,-0.1 -0.965 53.3 -98.4-168.1 154.4 -8.4 35.6 36.7 357 361 A R T >> S+ 0 0 134 1,-0.3 4,-1.4 -2,-0.3 3,-1.0 0.374 89.5 111.8 -62.6 7.9 -10.2 32.8 38.6 358 362 A S H 3> + 0 0 8 1,-0.3 4,-4.4 2,-0.2 5,-0.4 0.781 60.7 76.0 -50.8 -29.2 -6.9 32.4 40.5 359 363 A A H <> S+ 0 0 42 -3,-1.3 4,-2.1 1,-0.3 -1,-0.3 0.958 103.0 34.3 -45.7 -59.0 -8.9 33.8 43.4 360 364 A L H <> S+ 0 0 76 -3,-1.0 4,-1.1 1,-0.2 -1,-0.3 0.758 118.6 56.2 -70.3 -24.1 -10.6 30.4 43.8 361 365 A V H X S+ 0 0 7 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.918 109.1 43.0 -74.2 -46.0 -7.3 28.7 42.7 362 366 A A H X S+ 0 0 15 -4,-4.4 4,-1.7 1,-0.2 -2,-0.2 0.949 116.7 48.0 -62.8 -49.2 -5.2 30.3 45.4 363 367 A I H < S+ 0 0 65 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.2 0.762 111.8 51.3 -64.5 -26.0 -7.8 29.8 48.1 364 368 A I H X S+ 0 0 30 -4,-1.1 4,-1.3 -5,-0.2 -1,-0.2 0.907 107.0 51.8 -78.1 -40.4 -8.2 26.2 47.0 365 369 A S H X S+ 0 0 7 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.875 111.7 46.7 -64.1 -39.1 -4.5 25.3 47.1 366 370 A L H X S+ 0 0 29 -4,-1.7 4,-3.3 2,-0.2 3,-0.4 1.000 108.6 47.9 -70.7 -70.0 -4.0 26.6 50.7 367 371 A P H > S+ 0 0 45 0, 0.0 4,-3.5 0, 0.0 -1,-0.2 0.784 115.1 50.6 -40.8 -34.5 -7.0 25.1 52.7 368 372 A L H X S+ 0 0 23 -4,-1.3 4,-1.3 2,-0.3 -2,-0.2 0.940 114.3 40.4 -71.6 -48.2 -6.1 21.8 51.1 369 373 A G H X S+ 0 0 2 -4,-1.9 4,-0.8 -3,-0.4 -1,-0.2 0.742 120.8 48.4 -66.6 -23.4 -2.4 22.0 52.0 370 374 A L H X S+ 0 0 35 -4,-3.3 4,-1.6 2,-0.2 -2,-0.3 0.895 107.8 53.2 -76.5 -46.0 -3.8 23.4 55.2 371 375 A C H X S+ 0 0 14 -4,-3.5 4,-0.5 -5,-0.3 -2,-0.2 0.675 106.7 52.6 -68.5 -19.2 -6.3 20.6 55.6 372 376 A I H X S+ 0 0 52 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.838 104.8 54.4 -82.3 -35.5 -3.6 17.9 55.2 373 377 A A H X S+ 0 0 0 -4,-0.8 4,-1.9 1,-0.2 -2,-0.2 0.868 111.8 45.9 -61.6 -36.3 -1.5 19.5 58.0 374 378 A F H X S+ 0 0 16 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.697 110.4 54.2 -79.7 -21.4 -4.5 19.2 60.2 375 379 A I H X S+ 0 0 35 -4,-0.5 4,-1.4 -5,-0.2 -2,-0.2 0.898 113.5 40.7 -74.6 -42.3 -5.2 15.7 59.1 376 380 A V H X S+ 0 0 22 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.919 111.1 52.4 -75.7 -46.1 -1.7 14.5 60.0 377 381 A M H <>S+ 0 0 6 -4,-1.9 5,-1.3 1,-0.2 -1,-0.2 0.886 107.7 55.6 -60.5 -37.9 -1.1 16.3 63.3 378 382 A H H ><5S+ 0 0 89 -4,-0.8 3,-1.6 3,-0.2 -1,-0.2 0.963 108.2 48.4 -51.4 -55.8 -4.4 14.8 64.4 379 383 A F H 3<5S+ 0 0 141 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.919 118.4 37.0 -55.9 -51.6 -3.1 11.3 63.6 380 384 A Q T 3<5S- 0 0 68 -4,-2.4 -1,-0.3 0, 0.0 -2,-0.2 0.211 107.4-133.5 -87.4 16.9 0.2 11.8 65.4 381 385 A G T < 5 + 0 0 58 -3,-1.6 -3,-0.2 -5,-0.2 -4,-0.1 0.822 48.4 152.1 30.7 75.0 -1.6 13.8 68.1 382 386 A L < - 0 0 56 -5,-1.3 2,-0.3 1,-0.3 -4,-0.1 0.916 43.4-109.2 -90.5 -76.1 0.7 16.8 68.4 383 387 A N - 0 0 60 2,-0.1 -1,-0.3 83,-0.1 -351,-0.1 -0.915 9.3-108.9 176.3-151.0 -1.2 19.9 69.5 384 388 A A + 0 0 6 -2,-0.3 5,-0.1 -351,-0.2 -349,-0.1 0.072 57.1 150.3-160.3 20.4 -2.4 23.3 68.3 385 389 A N > - 0 0 4 -353,-0.1 4,-1.8 -351,-0.1 5,-0.2 0.104 67.6 -90.7 -47.9 171.1 -0.1 25.5 70.3 386 390 A I H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.830 126.3 57.7 -59.6 -32.0 1.0 28.9 68.9 387 391 A M H > S+ 0 0 6 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.967 104.3 47.4 -64.0 -57.0 4.0 27.2 67.2 388 392 A S H > S+ 0 0 3 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.904 115.9 46.2 -50.0 -47.9 2.0 24.7 65.2 389 393 A L H X S+ 0 0 30 -4,-1.8 4,-1.3 1,-0.2 -1,-0.3 0.861 109.0 55.6 -63.7 -37.2 -0.3 27.5 64.1 390 394 A G H X S+ 0 0 6 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.816 103.5 58.8 -62.9 -30.0 2.7 29.6 63.4 391 395 A G H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 3,-0.2 0.955 104.0 45.5 -64.7 -54.0 3.9 26.8 61.1 392 396 A I H X S+ 0 0 9 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.797 106.7 64.7 -61.0 -27.9 1.0 26.7 58.7 393 397 A A H X S+ 0 0 3 -4,-1.3 4,-0.7 1,-0.2 -1,-0.2 0.935 107.9 34.8 -63.9 -52.5 1.1 30.5 58.5 394 398 A I H X S+ 0 0 19 -4,-1.3 4,-1.1 -3,-0.2 -1,-0.2 0.712 110.4 66.5 -77.9 -20.1 4.5 30.9 56.8 395 399 A A H >X S+ 0 0 3 -4,-1.4 4,-0.7 1,-0.2 3,-0.6 0.913 94.4 58.2 -61.8 -44.3 3.8 27.7 54.9 396 400 A V H >< S+ 0 0 9 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.868 105.2 52.0 -48.9 -39.6 1.1 29.6 53.1 397 401 A G H 3< S+ 0 0 9 -4,-0.7 3,-0.4 1,-0.2 -1,-0.2 0.783 111.3 43.9 -72.1 -29.4 3.8 32.0 52.1 398 402 A A H << S+ 0 0 9 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.344 102.1 67.6 -99.3 4.5 6.1 29.4 50.6 399 403 A M S S+ 0 0 14 -3,-0.4 4,-3.5 1,-0.2 5,-0.2 0.830 74.3 65.4 -79.0 -31.6 2.8 30.3 46.4 401 405 A D H > S+ 0 0 4 1,-0.2 4,-4.1 2,-0.2 5,-0.3 0.852 97.9 52.6 -65.0 -36.7 5.4 29.4 43.8 402 406 A A H > S+ 0 0 7 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.897 117.5 39.0 -65.2 -41.2 3.7 26.1 42.7 403 407 A A H X S+ 0 0 15 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.913 121.3 44.6 -72.2 -46.0 0.5 28.0 42.1 404 408 A I H X S+ 0 0 18 -4,-3.5 4,-2.6 2,-0.2 -2,-0.2 0.946 117.0 44.5 -62.9 -51.2 2.2 31.0 40.7 405 409 A V H X S+ 0 0 4 -4,-4.1 4,-1.8 -5,-0.2 -3,-0.2 0.872 113.2 50.7 -65.2 -39.1 4.6 29.0 38.5 406 410 A M H X S+ 0 0 17 -4,-1.7 4,-2.1 -5,-0.3 5,-0.2 0.983 112.8 46.6 -59.5 -54.6 1.8 26.6 37.3 407 411 A I H X S+ 0 0 13 -4,-2.3 4,-4.1 1,-0.2 5,-0.3 0.915 107.9 54.1 -57.8 -52.0 -0.4 29.5 36.3 408 412 A E H X S+ 0 0 9 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.949 113.2 43.4 -44.2 -56.4 2.2 31.5 34.5 409 413 A N H X S+ 0 0 5 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.808 115.6 49.0 -65.4 -30.1 3.1 28.5 32.3 410 414 A A H X S+ 0 0 15 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.896 113.3 47.3 -71.0 -43.7 -0.6 27.8 31.8 411 415 A H H X S+ 0 0 66 -4,-4.1 4,-1.6 1,-0.2 -2,-0.2 0.888 113.6 47.0 -63.2 -42.7 -1.3 31.4 31.0 412 416 A K H X S+ 0 0 43 -4,-3.0 4,-0.8 -5,-0.3 -1,-0.2 0.825 110.2 54.0 -70.6 -30.4 1.6 31.5 28.5 413 417 A R H < S+ 0 0 63 -4,-1.4 4,-0.4 -5,-0.3 3,-0.2 0.844 107.0 50.6 -72.7 -36.2 0.6 28.3 26.9 414 418 A L H >X S+ 0 0 73 -4,-1.7 3,-2.3 1,-0.2 4,-1.2 0.920 100.8 62.8 -61.7 -47.1 -3.0 29.5 26.2 415 419 A E H 3X S+ 0 0 110 -4,-1.6 4,-1.1 1,-0.3 3,-0.2 0.803 93.3 63.4 -56.1 -30.9 -1.7 32.7 24.6 416 420 A E H 3< S+ 0 0 75 -4,-0.8 4,-0.4 1,-0.2 -1,-0.3 0.799 106.4 44.4 -62.5 -29.7 -0.1 30.6 21.9 417 421 A W H <4 S+ 0 0 91 -3,-2.3 -1,-0.2 -4,-0.4 -2,-0.2 0.652 107.3 57.7 -90.5 -17.9 -3.5 29.4 20.8 418 422 A Q H < S+ 0 0 143 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.655 104.5 55.0 -78.7 -17.7 -5.0 32.9 21.0 419 423 A H < 0 0 148 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.698 360.0 360.0 -86.6 -22.0 -2.3 33.8 18.5 420 424 A Q 0 0 157 -4,-0.4 -3,-0.1 -5,-0.1 -4,-0.0 0.264 360.0 360.0-108.7 360.0 -3.4 31.2 16.1 421 ! 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 0.0 422 433 A K > 0 0 179 0, 0.0 4,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-175.7 -10.9 17.9 24.9 423 434 A T H > + 0 0 103 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.847 360.0 49.8 -77.6 -37.6 -7.6 17.6 23.0 424 435 A R H > S+ 0 0 108 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.808 113.2 47.4 -74.9 -26.8 -6.6 21.2 22.5 425 436 A W H > S+ 0 0 112 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.754 108.5 60.4 -76.2 -24.1 -7.2 22.0 26.2 426 437 A Q H X S+ 0 0 58 -4,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.878 100.0 51.5 -66.9 -40.5 -5.2 18.8 26.6 427 438 A V H X S+ 0 0 43 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.846 106.1 54.8 -67.1 -32.5 -2.1 20.3 24.8 428 439 A I H X S+ 0 0 22 -4,-1.0 4,-0.6 1,-0.2 -1,-0.2 0.856 111.4 46.2 -64.9 -34.9 -2.3 23.3 27.1 429 440 A T H X S+ 0 0 14 -4,-1.3 4,-1.0 2,-0.2 -2,-0.2 0.855 103.9 61.8 -71.7 -38.5 -2.1 20.8 29.9 430 441 A D H X S+ 0 0 44 -4,-2.4 4,-1.2 1,-0.3 -2,-0.2 0.901 109.5 41.3 -53.5 -44.0 0.7 18.9 28.3 431 442 A A H X S+ 0 0 14 -4,-1.6 4,-0.9 2,-0.3 -1,-0.3 0.664 107.8 59.7 -82.5 -17.6 2.8 22.0 28.5 432 443 A S H < S+ 0 0 6 -4,-0.6 -1,-0.3 2,-0.2 -2,-0.2 0.643 106.6 51.5 -73.2 -17.5 1.4 22.5 32.0 433 444 A V H >< S+ 0 0 29 -4,-1.0 3,-1.2 2,-0.2 -2,-0.3 0.807 100.4 58.9 -85.1 -35.3 3.0 19.1 32.4 434 445 A E H 3< S+ 0 0 110 -4,-1.2 4,-0.3 1,-0.3 -2,-0.2 0.814 108.6 46.7 -61.6 -28.9 6.4 20.4 31.0 435 446 A V T 3X S+ 0 0 17 -4,-0.9 4,-0.5 1,-0.1 -1,-0.3 0.460 102.6 73.6 -90.8 -3.8 6.4 22.9 33.8 436 447 A G H <> S+ 0 0 10 -3,-1.2 4,-2.6 3,-0.1 3,-0.4 0.992 77.7 63.5 -74.1 -66.1 5.5 20.3 36.4 437 448 A P H > S+ 0 0 77 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.772 110.4 32.3 -30.1 -75.1 8.5 18.0 37.0 438 449 A A H > S+ 0 0 8 -4,-0.3 4,-1.6 2,-0.2 -2,-0.1 0.842 118.7 54.0 -64.6 -37.1 11.0 20.4 38.6 439 450 A L H >X S+ 0 0 16 -4,-0.5 4,-1.4 -3,-0.4 3,-1.1 0.990 110.7 46.4 -53.4 -65.0 8.4 22.5 40.3 440 451 A F H >X S+ 0 0 61 -4,-2.6 4,-1.5 1,-0.3 3,-1.0 0.914 113.9 48.3 -39.5 -57.0 6.8 19.6 42.0 441 452 A I H 3X S+ 0 0 27 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.3 0.729 103.1 62.5 -67.4 -22.9 10.2 18.2 43.1 442 453 A S H < S+ 0 0 9 -4,-1.4 3,-2.2 1,-0.2 4,-0.2 0.943 103.1 56.9 -63.1 -51.8 10.6 20.0 53.2 448 459 A L H >< S+ 0 0 67 -4,-1.4 3,-1.5 1,-0.3 -1,-0.2 0.785 94.5 67.4 -54.4 -32.6 13.4 17.6 53.8 449 460 A S T 3< S+ 0 0 26 -4,-0.9 -1,-0.3 -3,-0.3 4,-0.2 0.681 85.5 72.8 -63.8 -16.5 15.9 20.3 54.6 450 461 A F T X> + 0 0 10 -3,-2.2 3,-2.0 -4,-0.3 4,-0.7 0.681 69.2 92.2 -76.1 -16.5 14.0 21.2 57.8 451 462 A I H X> S+ 0 0 51 -3,-1.5 4,-1.6 1,-0.3 3,-1.1 0.812 71.6 66.8 -50.5 -42.4 15.2 18.0 59.6 452 463 A P H 3> S+ 0 0 11 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.866 97.2 58.1 -48.4 -34.6 18.2 19.7 61.3 453 464 A I H <4 S+ 0 0 23 -3,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.878 103.0 51.4 -63.5 -37.5 15.7 21.7 63.2 454 465 A F H << S+ 0 0 46 -3,-1.1 -1,-0.2 -4,-0.7 -3,-0.1 0.818 100.2 68.0 -63.3 -29.8 14.2 18.5 64.6 455 466 A T H < S+ 0 0 14 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.887 77.1 88.3 -61.6 -45.2 17.7 17.5 65.6 456 467 A L < - 0 0 31 -4,-1.2 9,-0.1 -3,-0.3 387,-0.1 -0.324 59.7-173.0 -52.8 136.4 18.0 20.2 68.3 457 468 A E + 0 0 67 385,-0.3 -1,-0.1 4,-0.1 2,-0.1 -0.204 33.2 119.2-138.0 45.9 16.7 18.6 71.4 458 469 A G S > S- 0 0 13 1,-0.1 4,-1.6 385,-0.1 5,-0.1 -0.151 82.6 -95.1 -85.7-168.5 16.5 21.2 74.2 459 470 A Q H > S+ 0 0 100 2,-0.2 4,-1.3 3,-0.1 5,-0.1 0.868 135.1 45.7 -71.8 -40.0 13.3 22.2 76.0 460 471 A E H > S+ 0 0 72 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.929 109.0 55.0 -63.4 -47.7 13.2 25.0 73.4 461 472 A G H > S+ 0 0 4 1,-0.3 4,-1.5 2,-0.2 3,-0.3 0.903 111.0 44.5 -52.2 -44.9 14.1 22.6 70.6 462 473 A R H < S+ 0 0 89 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.747 108.9 58.3 -73.5 -24.5 11.1 20.5 71.6 463 474 A L H < S+ 0 0 24 -4,-1.3 4,-0.4 -3,-0.2 -1,-0.2 0.802 109.9 44.1 -67.3 -30.9 9.1 23.7 71.8 464 475 A F H X S+ 0 0 7 -4,-1.8 4,-1.9 -3,-0.3 3,-0.3 0.728 88.4 86.5 -91.4 -25.0 10.0 24.4 68.2 465 476 A G H X S+ 0 0 7 -4,-1.5 4,-4.1 1,-0.2 5,-0.2 0.853 86.8 57.7 -37.8 -47.1 9.3 20.9 67.0 466 477 A P H > S+ 0 0 19 0, 0.0 4,-3.0 0, 0.0 5,-0.4 0.955 104.0 47.7 -51.6 -59.1 5.6 21.9 66.6 467 478 A L H > S+ 0 0 5 -4,-0.4 4,-1.1 -3,-0.3 -2,-0.2 0.843 121.8 39.4 -53.8 -34.2 6.3 24.8 64.2 468 479 A A H X S+ 0 0 0 -4,-1.9 4,-3.4 2,-0.2 -1,-0.2 0.837 113.2 53.1 -85.0 -37.5 8.5 22.4 62.2 469 480 A F H X S+ 0 0 59 -4,-4.1 4,-1.8 -5,-0.3 5,-0.2 0.906 110.9 47.2 -64.2 -43.3 6.3 19.3 62.5 470 481 A T H X S+ 0 0 3 -4,-3.0 4,-1.5 -5,-0.2 -1,-0.2 0.926 119.0 41.0 -64.2 -45.1 3.3 21.1 61.2 471 482 A K H X S+ 0 0 5 -4,-1.1 4,-3.0 -5,-0.4 5,-0.2 0.948 111.2 54.2 -67.1 -51.9 5.3 22.6 58.3 472 483 A T H X S+ 0 0 28 -4,-3.4 4,-1.4 1,-0.3 -2,-0.2 0.897 117.1 37.8 -52.6 -45.8 7.3 19.5 57.5 473 484 A Y H X S+ 0 0 112 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.3 0.765 116.7 52.4 -77.6 -26.9 4.2 17.4 57.1 474 485 A A H X S+ 0 0 3 -4,-1.5 4,-1.1 -5,-0.2 -2,-0.2 0.807 107.0 54.4 -75.4 -29.8 2.2 20.3 55.5 475 486 A M H X S+ 0 0 8 -4,-3.0 4,-1.7 2,-0.2 -2,-0.2 0.941 106.8 46.6 -72.2 -51.1 5.0 20.8 52.9 476 487 A A H X S+ 0 0 36 -4,-1.4 4,-1.8 1,-0.2 3,-0.3 0.923 117.4 44.9 -55.0 -47.1 5.2 17.2 51.6 477 488 A G H X S+ 0 0 7 -4,-1.2 4,-3.2 1,-0.2 -1,-0.2 0.770 108.1 59.1 -67.1 -26.4 1.4 17.2 51.3 478 489 A A H X S+ 0 0 2 -4,-1.1 4,-2.8 2,-0.2 -1,-0.2 0.805 102.4 54.0 -69.8 -30.0 1.7 20.7 49.8 479 490 A A H X S+ 0 0 0 -4,-1.7 4,-1.4 -3,-0.3 -2,-0.2 0.933 113.3 39.9 -68.8 -48.4 3.8 19.1 47.1 480 491 A L H X S+ 0 0 111 -4,-1.8 4,-1.7 2,-0.2 3,-0.3 0.922 113.0 58.6 -62.8 -44.9 1.0 16.5 46.4 481 492 A L H >X S+ 0 0 15 -4,-3.2 4,-1.5 1,-0.2 3,-0.9 0.940 102.6 52.7 -41.9 -57.0 -1.4 19.4 46.9 482 493 A A H 3X S+ 0 0 11 -4,-2.8 4,-0.7 1,-0.3 -1,-0.2 0.866 108.1 50.7 -54.0 -40.4 0.4 21.3 44.1 483 494 A I H 3< S+ 0 0 37 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.760 110.3 48.5 -71.7 -27.5 -0.1 18.3 41.7 484 495 A V H X S+ 0 0 5 -4,-1.5 4,-1.6 -5,-0.3 3,-1.2 0.870 83.5 67.7 -64.3 -35.1 -4.1 21.8 41.9 486 497 A I H 3X S+ 0 0 15 -4,-0.7 4,-1.6 1,-0.3 3,-0.4 0.913 94.2 54.6 -52.3 -51.2 -3.7 21.2 38.1 487 498 A P H 3> S+ 0 0 8 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.780 106.5 55.4 -52.2 -28.3 -7.1 19.4 37.8 488 499 A I H + 0 0 40 2,-0.2 3,-0.9 1,-0.2 4,-0.4 0.869 360.0 60.1 -86.2 -42.2 1.2 46.1 32.8 496 518 A N T 3> S+ 0 0 35 1,-0.2 4,-0.6 -144,-0.1 3,-0.4 0.704 102.5 63.0 -53.2 -17.0 3.3 42.9 32.6 497 519 A R H >> S+ 0 0 165 1,-0.2 4,-1.5 2,-0.2 3,-0.6 0.848 81.6 69.1 -83.4 -38.7 5.3 44.9 30.1 498 520 A F H <4 S+ 0 0 129 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.1 0.603 102.7 49.4 -65.4 -10.2 6.6 47.8 32.1 499 521 A L H >> S+ 0 0 61 -4,-0.4 3,-1.3 -3,-0.4 4,-1.1 0.781 103.7 59.9 -89.1 -35.4 8.9 45.4 34.0 500 522 A I H X S+ 0 0 19 -4,-1.1 4,-1.5 -3,-0.2 3,-0.7 0.966 98.1 54.0 -85.9 -61.8 15.0 43.9 32.6 504 526 A H H 3X S+ 0 0 40 -4,-1.4 4,-1.3 1,-0.3 5,-0.2 0.807 105.9 51.5 -55.2 -37.8 16.3 42.8 29.1 505 527 A P H 3> S+ 0 0 69 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.927 112.6 52.6 -62.0 -39.1 18.8 45.6 28.5 506 528 A L H <> S+ 0 0 71 -3,-0.7 4,-2.0 -4,-0.4 -2,-0.2 0.817 100.6 56.9 -62.9 -39.4 20.1 44.7 32.0 507 529 A L H X S+ 0 0 5 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.896 109.3 46.8 -61.4 -42.4 20.6 40.9 31.4 508 530 A L H X S+ 0 0 66 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.863 109.0 53.6 -68.0 -40.7 22.9 41.5 28.4 509 531 A K H X S+ 0 0 95 -4,-1.5 4,-0.8 1,-0.2 3,-0.4 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0.814 112.4 55.3 -61.6 -30.4 33.1 38.8 42.2 520 542 A V H X S+ 0 0 90 -4,-3.5 4,-1.9 -5,-0.3 -1,-0.3 0.892 106.8 50.2 -66.2 -40.3 30.6 41.5 43.0 521 543 A A H X S+ 0 0 27 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.877 106.4 55.6 -63.7 -38.9 28.4 38.9 44.6 522 544 A A H X S+ 0 0 48 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.872 108.7 47.6 -61.7 -37.6 31.4 37.7 46.6 523 545 A L H X S+ 0 0 116 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.850 108.8 52.9 -72.8 -35.6 31.8 41.2 48.0 524 546 A S H X S+ 0 0 50 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.761 105.8 55.4 -70.0 -24.7 28.1 41.5 48.8 525 547 A V H X S+ 0 0 48 -4,-1.5 4,-0.6 2,-0.2 -1,-0.2 0.807 104.1 54.7 -74.0 -31.7 28.6 38.3 50.7 526 548 A L H >X S+ 0 0 113 -4,-1.2 3,-2.1 2,-0.2 4,-1.8 0.961 103.6 53.7 -57.7 -52.7 31.3 40.0 52.7 527 549 A T H 3< S+ 0 0 50 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.756 110.0 48.4 -58.9 -25.1 29.0 42.8 53.6 528 550 A V H 3X S+ 0 0 11 -4,-0.7 4,-1.5 2,-0.1 -1,-0.3 0.617 105.9 60.4 -86.0 -16.2 26.6 40.2 54.9 529 551 A L H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 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48.9 -68.7 -49.5 1.7 37.8 109.4 562 584 A E H > S+ 0 0 109 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.826 111.6 53.4 -58.7 -31.2 4.5 39.8 107.9 563 585 A A H X S+ 0 0 4 -4,-1.1 4,-2.9 2,-0.2 -2,-0.2 0.966 108.8 45.4 -66.4 -54.5 3.9 37.7 104.7 564 586 A A H X S+ 0 0 21 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.810 114.4 52.3 -59.6 -31.4 0.2 38.5 104.6 565 587 A S H X S+ 0 0 55 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.970 110.6 44.0 -67.1 -57.6 1.1 42.2 105.3 566 588 A M H X S+ 0 0 67 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.897 111.1 57.0 -54.0 -43.0 3.7 42.4 102.5 567 589 A L H X S+ 0 0 4 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.919 108.6 46.0 -53.6 -46.1 1.2 40.6 100.2 568 590 A Q H X S+ 0 0 71 -4,-1.6 4,-0.7 -3,-0.2 -2,-0.2 0.910 111.9 49.9 -67.2 -43.3 -1.4 43.3 100.9 569 591 A K H >X S+ 0 0 97 -4,-2.4 4,-2.1 1,-0.2 3,-1.0 0.917 111.0 50.2 -60.5 -45.1 1.0 46.2 100.4 570 592 A T H 3X S+ 0 0 14 -4,-2.8 4,-2.5 1,-0.3 5,-0.4 0.895 105.3 56.4 -59.9 -42.0 2.2 44.7 97.1 571 593 A D H 3X S+ 0 0 0 -4,-2.0 4,-0.5 -5,-0.2 -295,-0.3 0.665 109.5 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34.9 63.8 988 1010 A S H X S+ 0 0 16 -4,-1.3 4,-3.1 1,-0.2 3,-0.5 0.940 103.0 60.6 -61.9 -48.8 8.7 38.0 63.0 989 1011 A R H 4 S+ 0 0 10 1,-0.3 -1,-0.2 -5,-0.2 -2,-0.2 0.815 115.0 34.4 -52.7 -34.7 12.0 36.3 63.7 990 1012 A I H X S+ 0 0 3 -4,-1.4 4,-0.6 -3,-0.2 -1,-0.3 0.645 117.0 57.2 -92.6 -17.1 11.3 33.7 61.0 991 1013 A A H X S+ 0 0 4 -4,-1.2 4,-1.4 -3,-0.5 -2,-0.2 0.873 96.0 61.5 -79.8 -40.3 9.5 36.2 58.8 992 1014 A A H >X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.2 3,-0.8 0.954 100.7 50.7 -54.2 -61.4 12.3 38.8 58.5 993 1015 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.846 105.4 61.7 -42.6 -41.8 14.9 36.6 56.8 994 1016 A M H 3X S+ 0 0 16 -4,-0.6 4,-1.2 -3,-0.2 -2,-0.2 0.913 105.8 42.6 -55.7 -50.3 12.3 35.7 54.3 995 1017 A I H X S+ 0 0 4 -4,-1.6 4,-1.5 1,-0.3 3,-1.3 0.918 116.2 46.1 -55.3 -46.7 15.4 40.2 52.8 997 1019 A G H 3X S+ 0 0 1 -4,-2.6 4,-3.3 -109,-0.3 -1,-0.3 0.786 108.5 59.2 -63.4 -26.8 16.2 37.0 51.1 998 1020 A M H 3< S+ 0 0 1 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.506 104.7 48.2 -83.1 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