==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 23-JAN-13 4IW1 . COMPND 2 MOLECULE: SERUM ALBUMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.WANG,H.YU,X.SHI,M.HUANG . 560 2 17 16 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27057.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 424 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 15 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 327 58.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 2 1 0 2 3 2 2 0 0 1 1 2 1 2 3 2 1 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 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 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 S > 0 0 47 0, 0.0 4,-1.6 0, 0.0 58,-0.2 0.000 360.0 360.0 360.0 122.7 -1.5 -19.0 -9.8 2 6 A E H > + 0 0 70 56,-0.4 4,-2.0 58,-0.2 5,-0.2 0.956 360.0 53.4 -76.5 -52.2 -1.3 -17.1 -6.5 3 7 A V H > S+ 0 0 2 57,-0.4 4,-2.2 55,-0.3 3,-0.2 0.909 111.1 47.5 -44.4 -54.0 1.6 -14.6 -7.2 4 8 A A H > S+ 0 0 0 54,-0.3 4,-1.9 1,-0.3 3,-0.5 0.947 106.3 56.0 -61.7 -53.5 -0.0 -13.4 -10.3 5 9 A H H X S+ 0 0 79 -4,-1.6 4,-1.6 1,-0.3 -1,-0.3 0.856 112.6 44.8 -41.8 -44.0 -3.5 -12.9 -8.7 6 10 A R H X S+ 0 0 24 -4,-2.0 4,-1.9 -3,-0.2 5,-0.3 0.815 107.8 57.0 -72.4 -35.1 -1.7 -10.6 -6.2 7 11 A F H X S+ 0 0 21 -4,-2.2 4,-1.2 -3,-0.5 -2,-0.2 0.806 109.1 48.5 -66.3 -25.5 0.3 -8.8 -8.8 8 12 A K H < S+ 0 0 113 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.932 114.4 39.7 -83.9 -48.2 -2.9 -7.9 -10.5 9 13 A D H < S+ 0 0 77 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.1 0.886 123.7 39.8 -69.3 -40.0 -5.0 -6.5 -7.6 10 14 A L H < S- 0 0 20 -4,-1.9 4,-0.4 -5,-0.2 -1,-0.2 0.818 103.2-136.9 -80.9 -30.6 -2.1 -4.8 -5.9 11 15 A G X - 0 0 30 -4,-1.2 4,-2.1 -5,-0.3 -1,-0.1 -0.069 29.6 -81.4 82.4 167.1 -0.4 -3.4 -9.1 12 16 A E H > S+ 0 0 76 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.932 121.8 54.4 -75.1 -52.1 3.3 -3.5 -9.6 13 17 A E H > S+ 0 0 149 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.866 117.2 40.3 -55.8 -43.2 4.6 -0.5 -7.6 14 18 A N H > S+ 0 0 45 -4,-0.4 4,-3.3 2,-0.2 5,-0.3 0.961 114.8 52.1 -64.4 -57.3 2.8 -1.7 -4.5 15 19 A F H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.858 109.2 49.7 -40.8 -48.8 3.7 -5.4 -5.2 16 20 A K H X S+ 0 0 74 -4,-3.4 4,-1.5 2,-0.2 -1,-0.2 0.903 115.2 45.6 -63.5 -40.5 7.4 -4.5 -5.5 17 21 A A H X S+ 0 0 14 -4,-1.3 4,-2.7 -5,-0.3 -2,-0.2 0.957 110.0 50.1 -68.2 -55.4 7.2 -2.6 -2.3 18 22 A L H X S+ 0 0 1 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.797 111.9 50.1 -57.0 -29.8 5.3 -5.1 -0.2 19 23 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.847 109.1 52.2 -77.0 -35.6 7.8 -7.9 -1.3 20 24 A L H >X S+ 0 0 8 -4,-1.5 4,-2.1 -3,-0.2 3,-0.6 0.989 110.4 47.3 -62.7 -55.9 10.7 -5.6 -0.3 21 25 A I H >X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.3 3,-0.5 0.934 110.2 52.6 -47.3 -56.9 9.2 -5.1 3.1 22 26 A A H 3X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.3 -1,-0.3 0.836 109.6 49.8 -51.8 -36.6 8.6 -8.8 3.6 23 27 A F H - 0 0 74 0, 0.0 4,-1.1 0, 0.0 3,-0.2 0.120 29.6-113.8 -39.2 152.6 22.4 -6.0 3.0 32 36 A F H >> S+ 0 0 27 1,-0.2 4,-1.4 2,-0.2 3,-0.7 0.949 109.3 41.6 -62.0 -61.0 20.2 -3.7 1.0 33 37 A E H 3> S+ 0 0 139 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.562 105.7 65.7 -75.8 -8.8 21.0 -4.4 -2.6 34 38 A D H 3> S+ 0 0 99 -3,-0.2 4,-1.8 2,-0.1 -1,-0.3 0.905 108.1 41.9 -64.0 -43.8 21.0 -8.1 -1.9 35 39 A H H < - 0 0 46 -4,-2.1 3,-1.3 1,-0.1 -1,-0.3 -0.887 61.8-160.5-106.0 117.7 0.7 -17.5 -18.7 53 57 A E T 3 S+ 0 0 94 -2,-0.6 -1,-0.1 1,-0.3 5,-0.1 0.793 94.5 54.8 -57.0 -37.0 -0.9 -19.1 -15.6 54 58 A S T 3 S+ 0 0 107 3,-0.1 -1,-0.3 4,-0.1 3,-0.2 0.612 75.8 132.2 -73.4 -19.5 0.6 -22.5 -16.6 55 59 A A S X S- 0 0 25 -3,-1.3 3,-2.2 -7,-0.2 4,-0.2 -0.037 77.0 -81.6 -43.2 131.0 4.2 -21.2 -16.8 56 60 A E T 3 S+ 0 0 81 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 -0.046 113.5 9.1 -44.0 128.7 6.4 -23.6 -14.9 57 61 A N T > S+ 0 0 75 -3,-0.2 3,-0.9 1,-0.1 -1,-0.2 0.335 90.7 112.3 85.5 -1.5 6.4 -22.9 -11.1 58 62 A a T < + 0 0 0 -3,-2.2 -56,-0.4 1,-0.2 -55,-0.3 0.517 68.7 65.3 -79.9 -7.8 3.5 -20.4 -11.0 59 63 A D T 3 S+ 0 0 124 -4,-0.2 -1,-0.2 -58,-0.2 2,-0.1 0.592 80.7 111.8 -85.5 -16.6 1.2 -22.8 -9.1 60 64 A K S < S- 0 0 71 -3,-0.9 -57,-0.4 1,-0.1 -58,-0.2 -0.346 74.9-106.4 -66.0 136.1 3.6 -22.6 -6.1 61 65 A S > - 0 0 54 1,-0.1 4,-2.2 -2,-0.1 3,-0.2 -0.158 27.4-112.6 -56.5 151.5 2.5 -20.9 -2.8 62 66 A L H > S+ 0 0 13 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.843 117.3 57.3 -55.8 -36.7 3.9 -17.5 -1.8 63 67 A H H > S+ 0 0 51 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.932 107.2 46.0 -57.1 -52.0 5.8 -19.1 1.1 64 68 A T H > S+ 0 0 38 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.905 117.1 45.5 -59.4 -43.1 7.6 -21.6 -1.2 65 69 A L H X S+ 0 0 21 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.923 117.0 42.0 -69.6 -46.2 8.5 -18.8 -3.7 66 70 A F H X S+ 0 0 16 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.935 114.8 52.5 -65.8 -47.7 9.6 -16.2 -1.0 67 71 A G H X S+ 0 0 4 -4,-3.1 4,-1.9 -5,-0.3 -2,-0.2 0.849 108.1 50.8 -53.8 -40.3 11.5 -18.9 0.9 68 72 A D H < S+ 0 0 63 -4,-1.9 3,-0.4 -5,-0.2 4,-0.3 0.990 111.5 45.8 -66.8 -53.6 13.4 -20.1 -2.1 69 73 A K H >< S+ 0 0 62 -4,-1.9 3,-2.4 1,-0.2 -2,-0.2 0.948 110.7 55.0 -53.4 -50.9 14.6 -16.6 -3.1 70 74 A L H 3< S+ 0 0 13 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.869 101.8 58.2 -44.4 -46.9 15.5 -15.9 0.6 71 75 A b T 3< 0 0 44 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.382 360.0 360.0 -74.4 6.9 17.7 -18.9 0.7 72 76 A T < 0 0 128 -3,-2.4 -3,-0.1 -4,-0.3 -2,-0.0 0.245 360.0 360.0 -94.7 360.0 20.0 -17.8 -2.2 73 ! 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 74 89 A D 0 0 125 0, 0.0 12,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -55.5 19.6 -23.0 9.8 75 90 A c + 0 0 3 1,-0.2 3,-0.2 11,-0.1 11,-0.2 0.788 360.0 52.6 -80.1 -29.1 16.2 -22.0 8.4 76 91 A b S S+ 0 0 52 1,-0.2 2,-2.1 10,-0.1 -1,-0.2 0.779 91.0 71.2 -82.7 -28.6 16.9 -23.0 4.8 77 92 A A S S+ 0 0 92 2,-0.1 2,-0.3 6,-0.1 -1,-0.2 -0.330 98.3 73.9 -77.8 52.2 18.1 -26.6 5.5 78 93 A K S S- 0 0 122 -2,-2.1 2,-0.2 -3,-0.2 -3,-0.0 -0.944 78.1-130.5-170.0 140.6 14.4 -27.0 6.3 79 94 A Q >> - 0 0 156 -2,-0.3 4,-1.2 1,-0.1 3,-0.6 -0.629 38.9 -52.1-108.3 160.6 11.3 -27.2 4.1 80 95 A E T 34 S+ 0 0 37 1,-0.3 -1,-0.1 2,-0.3 2,-0.0 -0.225 113.0 23.1 -52.9 150.1 7.9 -25.6 4.0 81 96 A P T 3> S+ 0 0 85 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 -0.964 131.7 42.7 -77.9 -12.9 5.7 -25.2 6.2 82 97 A E H <> S+ 0 0 122 -3,-0.6 4,-1.3 1,-0.2 -2,-0.3 0.744 111.3 60.1 -65.7 -24.4 8.3 -25.6 8.9 83 98 A R H X S+ 0 0 19 -4,-1.2 4,-1.7 2,-0.2 3,-0.4 0.953 102.8 47.5 -71.8 -51.8 10.6 -23.3 7.0 84 99 A N H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.886 109.8 55.4 -54.0 -42.0 8.3 -20.3 6.9 85 100 A E H X S+ 0 0 93 -4,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.835 103.0 57.0 -62.3 -34.0 7.8 -20.8 10.6 86 101 A c H X S+ 0 0 22 -4,-1.3 4,-1.1 -3,-0.4 -1,-0.2 0.929 107.8 45.1 -61.0 -49.7 11.5 -20.6 11.1 87 102 A F H < S+ 0 0 13 -4,-1.7 4,-0.5 2,-0.2 3,-0.4 0.924 116.6 46.5 -60.7 -46.8 11.8 -17.1 9.4 88 103 A L H >< S+ 0 0 22 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.919 112.5 49.2 -58.5 -47.1 8.8 -15.9 11.4 89 104 A Q H 3< S+ 0 0 110 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.654 105.9 60.2 -71.5 -14.9 10.2 -17.4 14.6 90 105 A H T 3< S+ 0 0 111 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.547 76.7 124.1 -89.4 -7.8 13.6 -15.7 13.8 91 106 A K < - 0 0 23 -3,-1.2 2,-0.5 -4,-0.5 -65,-0.1 -0.168 48.5-150.7 -54.6 144.4 12.2 -12.1 13.8 92 107 A D - 0 0 66 -67,-0.2 -1,-0.1 37,-0.1 -2,-0.1 -0.960 18.7-169.2-132.7 114.0 13.9 -9.6 16.2 93 108 A D S S+ 0 0 41 -2,-0.5 -1,-0.1 1,-0.3 355,-0.1 0.661 93.8 36.3 -75.8 -15.1 12.1 -6.6 17.8 94 109 A N S S+ 0 0 105 354,-0.0 -1,-0.3 37,-0.0 2,-0.2 -0.609 83.2 179.5-139.0 72.0 15.5 -5.2 19.1 95 110 A P - 0 0 27 0, 0.0 2,-1.4 0, 0.0 -4,-0.0 -0.555 38.8-110.3 -86.4 138.6 18.1 -5.9 16.3 96 111 A N + 0 0 104 -2,-0.2 -2,-0.0 2,-0.0 0, 0.0 -0.499 66.6 140.7 -68.2 94.6 21.7 -4.9 16.6 97 112 A L - 0 0 37 -2,-1.4 3,-0.1 33,-0.0 -68,-0.0 -0.991 59.6 -91.1-143.7 132.7 21.6 -2.2 13.9 98 113 A P - 0 0 100 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.061 47.2-110.1 -31.2 117.1 23.2 1.3 13.5 99 114 A R - 0 0 95 1,-0.1 2,-1.0 0, 0.0 0, 0.0 -0.184 40.7-110.3 -42.6 155.9 20.9 4.0 14.8 100 115 A L - 0 0 99 -3,-0.1 -1,-0.1 2,-0.0 26,-0.0 -0.476 38.1-171.0-108.5 66.4 19.8 5.7 11.7 101 116 A V - 0 0 136 -2,-1.0 0, 0.0 1,-0.1 0, 0.0 -0.310 20.4-133.2 -60.5 132.3 21.5 9.1 11.8 102 117 A R - 0 0 88 1,-0.0 3,-0.2 -2,-0.0 -1,-0.1 -0.804 24.9-144.4 -96.1 106.4 20.2 11.4 9.0 103 118 A P - 0 0 78 0, 0.0 5,-0.2 0, 0.0 -1,-0.0 0.103 46.2 -40.2 -70.2 179.2 23.1 13.2 7.2 104 119 A E >> - 0 0 156 1,-0.1 3,-2.2 3,-0.1 4,-0.7 -0.101 57.4-130.0 -53.0 116.8 23.4 16.7 5.8 105 120 A V H >> S+ 0 0 21 1,-0.3 4,-2.1 2,-0.2 3,-2.0 0.747 103.6 61.8 -34.2 -53.1 20.1 17.5 4.0 106 121 A D H 3> S+ 0 0 98 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.889 103.4 52.3 -45.9 -44.7 21.6 18.7 0.8 107 122 A V H <> S+ 0 0 87 -3,-2.2 4,-2.2 1,-0.3 -1,-0.3 0.748 106.5 53.3 -63.5 -27.1 23.0 15.2 0.4 108 123 A M H S+ 0 0 74 -2,-0.4 4,-0.8 -3,-0.3 -1,-0.1 0.479 78.7 50.8 -99.8 -11.3 14.2 8.4 -6.5 117 132 A E H > S+ 0 0 116 2,-0.2 4,-2.4 3,-0.1 5,-0.1 0.853 112.2 46.9 -89.3 -43.9 13.2 4.7 -6.8 118 133 A T H > S+ 0 0 67 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.709 111.9 54.9 -67.5 -16.9 16.3 3.6 -5.0 119 134 A F H > S+ 0 0 29 -4,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.826 109.9 41.5 -91.4 -34.2 15.7 6.3 -2.4 120 135 A L H X S+ 0 0 31 -4,-0.8 4,-2.4 2,-0.2 3,-0.4 0.822 113.6 56.2 -71.9 -32.6 12.2 5.2 -1.5 121 136 A K H X S+ 0 0 24 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.777 105.5 50.5 -73.4 -18.2 13.3 1.6 -1.6 122 137 A K H X S+ 0 0 31 -4,-0.7 4,-1.0 2,-0.2 -1,-0.2 0.683 109.2 52.4 -88.5 -19.4 16.1 2.4 1.0 123 138 A Y H >X S+ 0 0 20 -4,-0.5 4,-2.6 -3,-0.4 3,-0.7 0.955 111.3 44.2 -79.0 -56.5 13.5 4.0 3.2 124 139 A L H 3X S+ 0 0 11 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.971 114.1 52.5 -44.5 -62.1 11.1 1.0 3.1 125 140 A Y H 3X S+ 0 0 6 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.782 111.8 45.3 -47.5 -34.6 14.1 -1.3 3.6 126 141 A E H + 0 0 53 -3,-0.4 3,-2.5 -4,-0.3 -1,-0.2 -0.493 69.6 174.1-143.8 76.8 10.3 -2.9 12.6 132 147 A P T 3 S+ 0 0 3 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.393 81.1 42.8 -76.5 0.9 9.7 -6.5 11.6 133 148 A Y T 3 S+ 0 0 46 -40,-0.1 52,-0.1 2,-0.1 3,-0.1 0.216 80.1 144.5-124.1 10.3 6.0 -6.5 12.5 134 149 A F < - 0 0 7 -3,-2.5 2,-0.7 -6,-0.3 44,-0.1 -0.253 67.1 -97.9 -58.4 133.8 5.2 -3.1 11.0 135 150 A Y >> - 0 0 23 42,-0.2 4,-1.8 1,-0.2 3,-0.8 -0.374 39.6-150.5 -56.5 99.0 1.7 -2.9 9.4 136 151 A A H 3> S+ 0 0 0 -2,-0.7 4,-1.6 1,-0.3 3,-0.2 0.849 89.8 47.8 -45.3 -55.4 2.7 -3.5 5.8 137 152 A P H 3> S+ 0 0 9 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.868 109.5 54.3 -58.7 -34.5 -0.0 -1.5 4.1 138 153 A E H <> S+ 0 0 12 -3,-0.8 4,-2.1 1,-0.2 -2,-0.2 0.845 101.9 59.4 -67.9 -36.0 0.5 1.5 6.5 139 154 A L H >X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 3,-0.5 0.968 98.9 55.9 -53.2 -55.2 4.2 1.5 5.5 140 155 A L H 3X S+ 0 0 15 -4,-1.6 4,-2.3 1,-0.3 -1,-0.2 0.870 108.0 51.0 -45.6 -38.6 3.3 2.1 1.9 141 156 A F H 3X S+ 0 0 9 -4,-1.0 4,-1.8 1,-0.3 -1,-0.3 0.881 107.2 51.0 -71.4 -38.0 1.4 5.1 3.1 142 157 A F H X S+ 0 0 17 -4,-2.0 4,-3.3 2,-0.2 3,-0.9 0.983 106.5 57.1 -69.1 -62.4 8.2 11.2 -1.2 148 163 A A H 3X S+ 0 0 59 -4,-2.5 4,-0.6 1,-0.3 -2,-0.2 0.679 110.7 48.8 -39.8 -22.8 5.6 14.0 -1.2 149 164 A A H 3< S+ 0 0 14 -4,-1.0 -1,-0.3 2,-0.2 5,-0.2 0.843 113.0 42.3 -91.5 -41.8 8.0 15.6 1.4 150 165 A F H XX S+ 0 0 0 -4,-1.4 4,-1.4 -3,-0.9 3,-0.9 0.865 115.8 52.0 -70.8 -37.2 11.3 15.1 -0.6 151 166 A T H 3< S+ 0 0 71 -4,-3.3 4,-0.5 1,-0.2 -1,-0.2 0.886 114.5 42.3 -62.4 -37.7 9.5 16.2 -3.7 152 167 A E T 3< S+ 0 0 61 -4,-0.6 -1,-0.2 -5,-0.4 -2,-0.2 -0.144 117.0 41.2-113.0 35.6 8.2 19.4 -2.2 153 168 A e T X4 S+ 0 0 4 -3,-0.9 3,-0.6 3,-0.1 -3,-0.1 0.421 101.5 61.9-142.3 -39.1 11.2 20.6 -0.2 154 169 A d T 3< S+ 0 0 13 -4,-1.4 2,-0.8 1,-0.3 -2,-0.1 0.820 104.5 56.0 -63.6 -29.6 14.2 20.1 -2.4 155 170 A Q T 3 S+ 0 0 85 -4,-0.5 -1,-0.3 -5,-0.3 2,-0.3 -0.563 99.6 88.2 -96.4 64.3 12.4 22.5 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105.4 48.1 -61.5 -47.4 -20.7 -11.4 21.5 314 329 A M H X S+ 0 0 68 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.909 110.7 52.4 -62.7 -41.1 -24.0 -9.6 21.8 315 330 A F H X S+ 0 0 2 -4,-2.3 4,-3.5 2,-0.2 5,-0.3 0.964 109.7 44.5 -58.6 -60.4 -23.2 -8.4 25.3 316 331 A L H X S+ 0 0 9 -4,-1.8 4,-3.2 1,-0.2 -1,-0.2 0.864 116.0 51.4 -50.6 -42.1 -19.8 -6.9 24.6 317 332 A Y H X S+ 0 0 9 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.923 112.9 41.6 -64.5 -52.3 -21.3 -5.3 21.6 318 333 A E H X S+ 0 0 46 -4,-3.0 4,-0.7 1,-0.2 -2,-0.2 0.835 119.3 46.8 -66.7 -34.8 -24.3 -3.8 23.4 319 334 A Y H >< S+ 0 0 21 -4,-3.5 3,-0.6 -5,-0.3 4,-0.4 0.946 114.8 45.3 -72.2 -43.9 -22.2 -2.7 26.3 320 335 A A H >< S+ 0 0 0 -4,-3.2 3,-2.4 -5,-0.3 -2,-0.2 0.947 103.9 61.6 -64.2 -48.1 -19.4 -1.2 24.1 321 336 A R H 3< S+ 0 0 22 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.748 110.5 42.3 -56.1 -23.9 -21.7 0.6 21.8 322 337 A R T << S+ 0 0 32 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.412 109.0 60.1-104.6 4.0 -22.9 2.7 24.8 323 338 A H X + 0 0 43 -3,-2.4 3,-2.7 -4,-0.4 -1,-0.2 -0.317 43.4 149.6-127.0 66.2 -19.6 3.2 26.4 324 339 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.679 80.3 63.3 -58.4 -14.0 -17.3 5.2 24.0 325 340 A D T 3 S+ 0 0 51 -3,-0.2 2,-0.4 106,-0.1 106,-0.2 0.226 87.4 83.1 -96.0 8.9 -15.9 6.5 27.4 326 341 A Y S < S- 0 0 26 -3,-2.7 2,-0.1 -6,-0.2 -3,-0.1 -0.933 85.6-117.5-105.9 139.6 -14.7 3.0 28.5 327 342 A S > - 0 0 0 -2,-0.4 4,-2.1 1,-0.1 3,-0.3 -0.453 24.2-116.8 -65.4 146.1 -11.4 1.8 27.4 328 343 A V H > S+ 0 0 5 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.934 116.5 57.1 -42.1 -52.0 -11.6 -1.4 25.3 329 344 A V H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 106.1 49.5 -49.9 -43.4 -9.5 -3.2 28.0 330 345 A L H > S+ 0 0 0 -3,-0.3 4,-3.0 1,-0.2 3,-0.3 0.969 111.3 47.4 -63.1 -50.8 -12.1 -2.3 30.6 331 346 A L H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.3 -1,-0.2 0.890 109.7 53.5 -59.5 -40.8 -15.0 -3.6 28.5 332 347 A L H X S+ 0 0 23 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.3 0.899 110.4 47.3 -61.5 -37.5 -13.1 -6.7 27.8 333 348 A R H X S+ 0 0 15 -4,-2.2 4,-3.0 -3,-0.3 -2,-0.2 0.913 111.2 52.2 -60.6 -46.4 -12.7 -7.2 31.7 334 349 A L H X S+ 0 0 1 -4,-3.0 4,-0.6 2,-0.2 -1,-0.2 0.836 109.7 49.6 -56.9 -35.4 -16.4 -6.4 32.1 335 350 A A H >X S+ 0 0 17 -4,-2.0 4,-2.0 -5,-0.2 3,-0.9 0.945 111.6 46.3 -76.4 -45.3 -17.2 -9.1 29.5 336 351 A K H 3X S+ 0 0 137 -4,-2.3 4,-2.6 1,-0.3 5,-0.2 0.897 109.8 55.2 -61.2 -44.6 -15.0 -11.7 31.1 337 352 A T H 3X S+ 0 0 27 -4,-3.0 4,-1.1 1,-0.2 -1,-0.3 0.705 109.7 49.0 -60.5 -20.1 -16.4 -10.9 34.6 338 353 A Y H < S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 9,-0.2 0.814 104.7 48.7 -76.2 -34.4 -24.9 -18.9 38.5 346 361 A j H 3< S+ 0 0 41 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.787 106.9 59.3 -77.0 -24.8 -26.3 -21.2 35.9 347 362 A A T 3< S+ 0 0 89 -4,-0.6 -1,-0.2 -5,-0.3 -2,-0.2 0.579 100.0 76.3 -72.5 -12.8 -24.7 -24.1 37.7 348 363 A A S < S- 0 0 51 -3,-0.8 6,-0.0 -4,-0.3 -3,-0.0 -0.575 90.8-102.6-112.1 169.4 -26.7 -23.3 40.9 349 364 A A S S+ 0 0 112 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.0 0.667 113.1 31.1 -67.5 -28.7 -30.2 -23.7 42.3 350 365 A D > + 0 0 91 1,-0.1 4,-2.2 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104.5 54.0 -64.0 -34.2 4.6 6.0 29.4 416 431 A G H >X S+ 0 0 0 -4,-1.7 4,-0.9 -3,-0.4 3,-0.8 0.875 90.3 73.8 -67.0 -37.0 5.1 9.7 30.0 417 432 A K H 3X S+ 0 0 70 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.402 85.4 71.4 -56.6 3.7 3.8 10.6 26.5 418 433 A V H <>>S+ 0 0 10 -3,-1.0 4,-4.7 2,-0.2 5,-0.7 0.924 91.0 51.1 -90.5 -52.0 0.3 9.7 27.9 419 434 A G H <>>S+ 0 0 1 -3,-0.8 4,-1.6 -4,-0.4 5,-0.5 0.973 116.6 44.1 -40.5 -67.7 -0.2 12.7 30.1 420 435 A S H <5S+ 0 0 64 -4,-0.9 4,-0.4 1,-0.2 -1,-0.2 0.893 121.3 39.1 -42.2 -51.2 0.7 14.8 27.1 421 436 A K H <5S+ 0 0 60 -4,-1.2 4,-0.3 -5,-0.2 -1,-0.2 0.909 131.9 18.7 -75.8 -41.2 -1.4 12.8 24.7 422 437 A m H ><5S+ 0 0 1 -4,-4.7 3,-0.8 2,-0.1 -3,-0.2 0.862 103.9 72.4-103.1 -43.0 -4.5 12.1 26.9 423 438 A l T 3<> - 0 0 102 0, 0.0 3,-2.4 0, 0.0 4,-0.8 -0.634 47.0-100.2 -74.5 133.0 -12.4 15.8 28.3 427 442 A E H 3> S+ 0 0 78 -2,-0.3 4,-0.8 1,-0.3 -2,-0.1 0.524 120.5 63.6 -30.5 -27.8 -12.9 13.0 30.9 428 443 A A H 34 S+ 0 0 68 1,-0.2 -1,-0.3 2,-0.1 -102,-0.1 0.327 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508 A T - 0 0 76 -4,-0.5 2,-0.2 1,-0.1 61,-0.1 -0.579 58.9-139.6 -57.9 141.3 32.3 8.0 33.1 494 509 A F - 0 0 55 -2,-0.2 2,-0.2 59,-0.2 -1,-0.1 -0.525 24.7-149.2-124.8-168.6 31.7 10.9 30.8 495 510 A H > - 0 0 102 -2,-0.2 3,-4.3 1,-0.0 4,-0.2 -0.730 20.5-140.2-168.6 78.7 31.9 12.3 27.4 496 511 A A G > S+ 0 0 23 1,-0.3 3,-1.0 -2,-0.2 4,-0.2 0.554 98.7 81.8 -23.5 -21.6 32.4 16.0 26.7 497 512 A D G > S+ 0 0 70 1,-0.2 3,-3.5 2,-0.2 -1,-0.3 0.856 72.4 76.0 -53.2 -39.6 29.9 15.2 23.9 498 513 A I G X S+ 0 0 18 -3,-4.3 3,-1.0 1,-0.3 -1,-0.2 0.789 85.1 64.1 -50.0 -29.2 27.2 15.6 26.5 499 514 A p G < S+ 0 0 43 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.721 108.9 38.3 -64.2 -20.4 27.7 19.3 26.3 500 515 A T G < S+ 0 0 115 -3,-3.5 -1,-0.2 -4,-0.2 -2,-0.2 0.200 86.9 126.4-118.5 16.3 26.5 19.3 22.6 501 516 A L < - 0 0 42 -3,-1.0 2,-0.1 -4,-0.3 -3,-0.0 -0.399 67.3-100.9 -75.7 151.9 23.7 16.8 22.8 502 517 A S > - 0 0 63 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.346 38.7-105.1 -56.1 150.4 20.2 17.6 21.5 503 518 A E H > S+ 0 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-3,-0.1 2,-0.3 -4,-0.1 -4,-0.0 -0.911 81.1 133.7 -98.8 112.9 15.2 2.0 48.6 524 539 A A - 0 0 24 -2,-0.7 -6,-0.0 -6,-0.0 -3,-0.0 -0.949 50.8-106.8-158.5 143.3 16.0 5.7 48.5 525 540 A T > - 0 0 66 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.195 22.0-122.1 -64.6 157.1 14.1 8.9 49.2 526 541 A K H > S+ 0 0 76 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.910 118.3 55.0 -53.1 -49.7 12.8 11.4 46.6 527 542 A E H > S+ 0 0 155 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.685 108.6 45.2 -59.8 -26.3 14.9 13.9 48.6 528 543 A Q H > S+ 0 0 106 2,-0.2 4,-2.3 3,-0.1 -1,-0.2 0.769 113.0 49.0 -92.6 -25.0 18.1 11.8 48.3 529 544 A L H X S+ 0 0 15 -4,-1.6 4,-3.5 2,-0.2 5,-0.3 0.954 111.0 49.9 -70.1 -51.4 17.7 11.1 44.6 530 545 A K H X S+ 0 0 50 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.909 113.0 50.2 -51.0 -45.6 17.0 14.9 43.9 531 546 A A H X S+ 0 0 59 -4,-1.0 4,-2.3 -5,-0.2 -2,-0.2 0.962 114.3 40.6 -52.9 -61.8 20.2 15.5 45.9 532 547 A V H X S+ 0 0 59 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.884 118.3 48.8 -63.5 -39.4 22.4 13.0 44.0 533 548 A M H X S+ 0 0 16 -4,-3.5 4,-2.2 2,-0.2 -1,-0.2 0.913 109.5 51.6 -62.0 -44.8 20.8 14.0 40.6 534 549 A D H X S+ 0 0 107 -4,-2.8 4,-1.6 -5,-0.3 -2,-0.2 0.879 107.4 53.5 -61.0 -39.7 21.3 17.7 41.4 535 550 A D H >X S+ 0 0 56 -4,-2.3 4,-2.9 2,-0.2 3,-1.2 0.986 108.5 49.4 -54.4 -57.2 25.0 17.1 42.2 536 551 A F H 3X S+ 0 0 32 -4,-2.1 4,-2.1 1,-0.3 -2,-0.2 0.848 110.6 50.7 -52.3 -41.7 25.4 15.3 38.8 537 552 A A H 3X S+ 0 0 42 -4,-2.2 4,-1.9 2,-0.2 -1,-0.3 0.779 111.8 47.8 -61.8 -33.5 23.7 18.3 37.0 538 553 A A H < S+ 0 0 55 -4,-1.7 3,-3.8 2,-0.1 -2,-0.2 0.986 112.2 43.2 -65.8 -71.2 30.8 23.1 35.4 543 558 A q H 3< S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.3 10,-0.2 0.717 103.5 66.4 -56.1 -27.2 32.7 20.8 33.0 544 559 A p T 3< S+ 0 0 32 -4,-2.1 2,-0.5 -5,-0.2 -1,-0.3 0.500 88.4 81.0 -68.1 -4.6 30.7 22.1 30.1 545 560 A K S < S- 0 0 153 -3,-3.8 3,-0.2 1,-0.2 -1,-0.0 -0.964 89.6-122.5-109.8 127.8 32.5 25.4 30.8 546 561 A A S S+ 0 0 67 -2,-0.5 2,-1.2 1,-0.2 -1,-0.2 0.922 74.7 96.7 -72.2-124.5 35.9 25.1 29.2 547 562 A D S S+ 0 0 114 1,-0.1 2,-0.6 5,-0.0 -1,-0.2 -0.753 119.1 1.7 65.3 -94.6 39.6 25.1 29.5 548 563 A D S > S+ 0 0 90 -2,-1.2 4,-1.9 -3,-0.2 5,-0.1 -0.841 70.3 164.6-121.0 91.7 39.8 21.4 29.8 549 564 A K H > S+ 0 0 65 -2,-0.6 4,-2.9 2,-0.2 5,-0.3 0.929 78.8 55.5 -68.8 -47.1 36.3 19.8 29.5 550 565 A E H > S+ 0 0 145 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.877 114.4 38.8 -53.1 -44.8 37.7 16.3 28.9 551 566 A T H > S+ 0 0 72 2,-0.2 4,-4.1 3,-0.2 5,-0.3 0.858 111.3 58.9 -77.2 -36.1 39.8 16.4 32.1 552 567 A q H X S+ 0 0 42 -4,-1.9 4,-2.3 1,-0.2 5,-0.3 0.970 109.8 43.1 -52.9 -54.4 37.1 18.1 34.1 553 568 A F H X S+ 0 0 5 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.791 118.5 48.1 -59.3 -30.3 34.8 15.3 33.4 554 569 A A H X S+ 0 0 52 -4,-0.9 4,-3.5 -5,-0.3 5,-0.3 0.944 110.6 46.2 -80.5 -54.6 37.6 12.9 34.1 555 570 A E H X S+ 0 0 54 -4,-4.1 4,-4.6 1,-0.2 5,-0.2 0.969 120.4 41.2 -47.3 -59.3 38.9 14.4 37.4 556 571 A E H < S+ 0 0 30 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.757 113.8 53.1 -68.2 -26.9 35.3 14.6 38.7 557 572 A G H >< S+ 0 0 13 -4,-1.0 3,-1.3 -5,-0.3 -2,-0.2 0.988 121.0 32.6 -60.5 -61.9 34.5 11.2 37.2 558 573 A K H >< S+ 0 0 147 -4,-3.5 3,-1.9 1,-0.3 -2,-0.3 0.782 112.6 62.8 -63.9 -33.2 37.5 9.8 39.1 559 574 A K T 3< S+ 0 0 79 -4,-4.6 -1,-0.3 -5,-0.3 -3,-0.2 0.057 106.1 47.2 -83.0 22.1 37.0 12.3 41.9 560 575 A L T < 0 0 102 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.042 360.0 360.0-132.2 13.0 33.7 10.4 42.3 561 576 A V < 0 0 101 -3,-1.9 -3,-0.0 -72,-0.0 -73,-0.0 -0.929 360.0 360.0-110.4 360.0 35.7 7.1 42.1