==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN, TRANPORT PROTEIN 13-JUL-13 4LOU . COMPND 2 MOLECULE: H(+)/CL(-) EXCHANGE TRANSPORTER CLCA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.-H.LIM,C.MILLER . 1751 6 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 68371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1283 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 349 19.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 136 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 575 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 1.9 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 3 3 2 1 4 2 2 1 3 0 0 1 0 5 2 1 3 2 2 0 0 0 2 0 0 0 4 RESIDUES PER ALPHA HELIX . 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 10 6 14 3 11 16 1 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 9 3 1 3 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 17 A R > 0 0 113 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 32.9 49.0 -14.5 56.1 2 18 A R H > + 0 0 81 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.798 360.0 47.3 -66.9 -29.7 47.7 -11.5 58.1 3 19 A R H > S+ 0 0 182 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.809 110.2 50.6 -89.8 -28.9 51.0 -9.7 58.2 4 20 A Q H > S+ 0 0 114 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.949 111.3 51.1 -64.0 -50.9 51.8 -10.1 54.5 5 21 A L H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.850 105.9 52.7 -58.5 -42.0 48.4 -8.7 53.7 6 22 A I H X S+ 0 0 23 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.925 110.9 49.1 -58.0 -43.6 48.8 -5.6 55.9 7 23 A R H X S+ 0 0 164 -4,-1.4 4,-0.6 1,-0.2 -2,-0.2 0.937 114.9 44.5 -59.4 -48.9 52.0 -4.9 54.1 8 24 A Q H >< S+ 0 0 51 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.872 107.1 57.7 -64.1 -44.0 50.3 -5.4 50.7 9 25 A L H >< S+ 0 0 8 -4,-3.1 3,-1.1 1,-0.3 -1,-0.2 0.883 107.4 48.8 -55.2 -39.0 47.2 -3.3 51.6 10 26 A L H 3< S+ 0 0 60 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.643 110.8 51.2 -79.7 -14.5 49.3 -0.3 52.4 11 27 A E T << S+ 0 0 70 -3,-0.9 3,-0.3 -4,-0.6 -1,-0.3 0.104 82.6 134.1-103.8 18.0 51.2 -0.7 49.1 12 28 A R < + 0 0 20 -3,-1.1 -3,-0.1 1,-0.2 863,-0.0 -0.447 66.9 8.5 -77.4 143.7 48.1 -0.9 46.9 13 29 A D S S+ 0 0 41 -2,-0.1 -1,-0.2 1,-0.1 185,-0.0 0.967 77.3 135.5 53.1 68.1 47.8 1.1 43.7 14 30 A K - 0 0 112 -3,-0.3 -1,-0.1 853,-0.0 3,-0.1 -0.305 31.4-177.3-135.3 48.7 51.4 2.4 43.4 15 31 A T - 0 0 7 1,-0.1 2,-0.1 2,-0.1 5,-0.1 -0.264 39.0 -97.5 -51.1 129.6 52.0 1.7 39.7 16 32 A P >> - 0 0 55 0, 0.0 4,-1.5 0, 0.0 3,-1.4 -0.319 25.5-125.6 -55.5 126.0 55.6 2.7 38.8 17 33 A L H 3> S+ 0 0 115 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.714 109.3 59.5 -44.2 -30.4 55.9 6.2 37.2 18 34 A A H 3> S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.918 105.1 47.0 -67.2 -44.0 57.7 4.6 34.2 19 35 A I H <> S+ 0 0 13 -3,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.825 109.4 55.0 -68.0 -30.1 54.8 2.4 33.3 20 36 A L H X S+ 0 0 8 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.959 110.5 44.3 -68.4 -49.8 52.3 5.3 33.7 21 37 A F H X S+ 0 0 132 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.899 112.8 51.7 -58.7 -45.0 54.2 7.4 31.2 22 38 A M H X S+ 0 0 17 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.913 104.5 56.1 -62.2 -41.7 54.6 4.5 28.8 23 39 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.876 104.4 57.0 -53.4 -40.0 50.9 3.8 28.9 24 40 A A H X S+ 0 0 22 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.891 108.6 43.1 -59.7 -44.6 50.4 7.4 27.8 25 41 A V H X S+ 0 0 37 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.906 110.9 55.0 -74.6 -35.5 52.5 7.0 24.7 26 42 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.914 110.4 48.0 -58.3 -42.1 50.9 3.6 23.8 27 43 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.989 110.6 49.9 -56.7 -61.1 47.5 5.3 24.0 28 44 A T H X S+ 0 0 37 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.840 114.3 44.5 -49.0 -45.0 48.5 8.3 21.8 29 45 A L H X S+ 0 0 70 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.888 111.8 51.6 -69.9 -39.1 50.0 6.0 19.1 30 46 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.841 109.4 52.0 -68.2 -31.3 47.0 3.5 19.1 31 47 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.957 111.2 45.6 -66.5 -50.9 44.6 6.5 18.7 32 48 A L H X S+ 0 0 72 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.915 114.6 48.3 -62.2 -43.0 46.5 7.8 15.7 33 49 A A H X S+ 0 0 22 -4,-2.7 4,-3.8 1,-0.2 5,-0.3 0.964 111.7 50.0 -57.1 -53.2 46.7 4.3 14.2 34 50 A A H X S+ 0 0 5 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.827 112.3 48.5 -54.3 -38.4 43.0 3.8 14.8 35 51 A V H X S+ 0 0 9 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.937 114.4 44.0 -67.1 -53.3 42.3 7.2 13.2 36 52 A A H X S+ 0 0 46 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.935 112.9 51.9 -53.4 -53.0 44.5 6.4 10.1 37 53 A F H X S+ 0 0 2 -4,-3.8 4,-2.0 -5,-0.2 -1,-0.2 0.876 113.4 46.3 -53.7 -39.6 43.1 2.9 9.8 38 54 A D H X S+ 0 0 26 -4,-1.5 4,-1.8 -5,-0.3 -2,-0.2 0.944 111.2 48.3 -68.9 -51.3 39.6 4.5 9.9 39 55 A K H X S+ 0 0 91 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.849 112.8 53.1 -56.9 -35.5 40.3 7.2 7.4 40 56 A G H X S+ 0 0 19 -4,-2.6 4,-1.8 -5,-0.2 5,-0.2 0.950 105.5 48.9 -67.2 -52.8 41.8 4.6 5.1 41 57 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.862 112.4 51.6 -56.4 -36.9 38.9 2.1 5.1 42 58 A A H X S+ 0 0 45 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.933 106.9 51.5 -66.6 -47.6 36.5 5.0 4.3 43 59 A W H X S+ 0 0 152 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.845 110.5 48.4 -59.2 -39.3 38.6 6.3 1.3 44 60 A L H X S+ 0 0 35 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.894 111.3 49.1 -71.2 -41.7 38.7 2.8 -0.3 45 61 A Q H X S+ 0 0 55 -4,-1.8 4,-0.7 -5,-0.2 -2,-0.2 0.841 113.3 50.7 -59.5 -32.7 35.0 2.3 0.1 46 62 A N H X S+ 0 0 110 -4,-1.8 4,-1.7 2,-0.2 3,-0.3 0.879 108.7 47.5 -77.2 -43.5 34.6 5.8 -1.4 47 63 A Q H X S+ 0 0 96 -4,-2.5 4,-1.0 1,-0.2 3,-0.5 0.960 108.5 57.5 -58.9 -51.1 36.8 5.2 -4.4 48 64 A R H X S+ 0 0 48 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.734 107.4 48.2 -49.4 -28.6 34.9 1.9 -4.9 49 65 A M H X S+ 0 0 105 -4,-0.7 4,-1.0 -3,-0.3 -1,-0.2 0.823 106.0 56.0 -82.4 -32.8 31.7 4.0 -5.1 50 66 A G H X S+ 0 0 38 -4,-1.7 4,-0.7 -3,-0.5 -2,-0.2 0.575 103.7 57.0 -73.1 -10.2 33.2 6.5 -7.6 51 67 A A H X S+ 0 0 30 -4,-1.0 4,-1.0 2,-0.2 3,-0.4 0.873 102.4 52.0 -82.0 -46.3 33.9 3.5 -9.9 52 68 A L H < S+ 0 0 16 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.1 0.767 106.1 57.4 -59.9 -27.3 30.3 2.4 -10.0 53 69 A V H >< S+ 0 0 96 -4,-1.0 3,-0.9 1,-0.2 -1,-0.2 0.862 102.3 52.3 -73.7 -36.2 29.5 6.0 -11.0 54 70 A H H 3< S+ 0 0 156 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.735 122.7 31.9 -70.5 -21.6 31.7 5.9 -14.1 55 71 A T T 3< S+ 0 0 23 -4,-1.0 -1,-0.2 1,-0.1 -2,-0.2 -0.044 78.7 122.6-124.2 32.0 30.0 2.6 -15.2 56 72 A A S < S+ 0 0 68 -3,-0.9 3,-0.1 1,-0.2 -1,-0.1 0.378 71.2 60.0 -76.6 5.1 26.4 3.3 -13.8 57 73 A D S S+ 0 0 134 1,-0.2 2,-1.2 -3,-0.1 -1,-0.2 0.848 93.1 58.1-101.0 -49.5 25.0 2.8 -17.3 58 74 A N S >> S- 0 0 85 -3,-0.2 4,-2.4 1,-0.2 3,-0.9 -0.703 71.2-164.5 -89.8 89.3 26.0 -0.7 -18.4 59 75 A Y H 3> S+ 0 0 133 -2,-1.2 4,-2.8 1,-0.3 5,-0.2 0.800 86.1 46.1 -48.0 -45.6 24.4 -2.8 -15.6 60 76 A P H 3> S+ 0 0 84 0, 0.0 4,-0.5 0, 0.0 -1,-0.3 0.866 114.8 48.9 -68.4 -31.3 26.3 -6.1 -16.2 61 77 A L H <> S+ 0 0 83 -3,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.830 110.9 52.7 -69.8 -34.0 29.5 -4.0 -16.4 62 78 A L H X S+ 0 0 3 -4,-2.4 4,-1.4 1,-0.2 3,-0.2 0.962 106.8 49.6 -62.2 -55.5 28.5 -2.3 -13.2 63 79 A L H X S+ 0 0 40 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.682 112.4 52.3 -57.4 -16.9 27.9 -5.7 -11.3 64 80 A T H X S+ 0 0 70 -4,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.858 107.5 45.2 -94.6 -39.9 31.4 -6.7 -12.6 65 81 A V H X S+ 0 0 31 -4,-1.9 4,-0.9 -3,-0.2 -2,-0.2 0.608 111.8 57.2 -78.7 -11.8 33.5 -3.8 -11.4 66 82 A A H X S+ 0 0 5 -4,-1.4 4,-1.1 -5,-0.2 -2,-0.2 0.922 112.4 39.4 -74.9 -51.2 31.6 -4.0 -8.1 67 83 A F H X S+ 0 0 74 -4,-1.2 4,-1.8 -5,-0.2 3,-0.4 0.941 117.0 48.3 -60.7 -52.6 32.7 -7.6 -7.7 68 84 A L H X S+ 0 0 97 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.832 107.2 54.5 -64.5 -36.1 36.3 -7.2 -9.0 69 85 A C H X S+ 0 0 47 -4,-0.9 4,-1.0 1,-0.2 -1,-0.2 0.832 114.8 40.9 -67.8 -31.8 37.1 -4.1 -6.9 70 86 A S H X S+ 0 0 0 -4,-1.1 4,-1.7 -3,-0.4 -2,-0.2 0.731 112.8 56.8 -84.4 -23.5 36.2 -6.0 -3.8 71 87 A A H X S+ 0 0 6 -4,-1.8 4,-2.5 212,-0.2 5,-0.2 0.932 106.6 47.1 -69.5 -49.4 37.9 -9.1 -5.0 72 88 A V H X S+ 0 0 86 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.914 114.7 45.8 -59.6 -46.4 41.3 -7.5 -5.5 73 89 A L H X S+ 0 0 34 -4,-1.0 4,-1.0 -5,-0.2 -1,-0.2 0.890 111.9 52.0 -68.9 -39.7 41.3 -5.8 -2.1 74 90 A A H >X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 3,-1.4 0.984 113.6 43.2 -54.4 -62.5 40.1 -9.0 -0.4 75 91 A M H 3X S+ 0 0 52 -4,-2.5 4,-4.0 1,-0.3 5,-0.3 0.919 108.6 58.1 -48.7 -53.9 42.9 -11.1 -1.9 76 92 A F H 3X S+ 0 0 97 -4,-2.7 4,-1.0 1,-0.2 -1,-0.3 0.738 113.8 40.0 -52.0 -24.7 45.5 -8.4 -1.3 77 93 A G H << S+ 0 0 0 -3,-1.4 4,-0.4 -4,-1.0 -1,-0.2 0.789 114.8 49.3 -98.1 -35.3 44.6 -8.6 2.4 78 94 A Y H >X S+ 0 0 4 -4,-2.6 4,-1.9 2,-0.2 3,-1.3 0.932 112.5 51.3 -57.1 -49.7 44.2 -12.4 2.6 79 95 A F H 3X S+ 0 0 80 -4,-4.0 4,-1.7 1,-0.3 5,-0.2 0.904 104.0 55.2 -61.3 -44.2 47.6 -12.6 0.8 80 96 A L H 3X S+ 0 0 27 -4,-1.0 4,-0.7 -5,-0.3 5,-0.3 0.701 110.1 50.9 -59.6 -18.4 49.3 -10.3 3.3 81 97 A V H <> S+ 0 0 4 -3,-1.3 4,-1.5 -4,-0.4 7,-0.2 0.938 111.9 38.7 -89.4 -48.9 48.2 -12.6 6.0 82 98 A R H < S+ 0 0 67 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.745 120.3 48.6 -71.2 -21.7 49.2 -16.0 4.9 83 99 A K H < S+ 0 0 121 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.767 130.5 7.5 -94.9 -28.2 52.5 -14.7 3.5 84 100 A Y H < S+ 0 0 111 -4,-0.7 -3,-0.2 -5,-0.2 -2,-0.2 0.571 135.3 12.3-129.5 -15.8 53.9 -12.6 6.4 85 101 A A >< + 0 0 0 -4,-1.5 3,-0.7 -5,-0.3 -2,-0.2 -0.573 49.4 177.2-169.7 92.5 51.7 -13.0 9.5 86 102 A P G > S+ 0 0 67 0, 0.0 3,-0.9 0, 0.0 -4,-0.1 0.698 83.9 61.3 -79.2 -19.4 49.1 -15.8 9.8 87 103 A E G 3 S+ 0 0 15 1,-0.2 8,-0.2 -6,-0.1 -5,-0.1 0.538 92.6 68.0 -81.3 -9.3 48.2 -14.8 13.4 88 104 A A G < S+ 0 0 0 -3,-0.7 -1,-0.2 -7,-0.2 -6,-0.1 0.317 83.3 92.9 -91.3 7.6 47.1 -11.4 12.1 89 105 A G S < S+ 0 0 13 -3,-0.9 247,-0.2 -8,-0.1 249,-0.1 -0.231 78.8 19.9 -80.2-176.4 44.2 -13.1 10.2 90 106 A G S S- 0 0 16 245,-1.9 248,-1.9 1,-0.2 243,-0.1 0.087 120.3 -28.1 52.3-159.0 40.8 -13.4 11.8 91 107 A S - 0 0 7 246,-0.2 46,-0.3 241,-0.1 45,-0.2 0.954 66.2-136.7 -54.7 -63.3 39.6 -11.2 14.8 92 108 A G S > S+ 0 0 4 44,-0.1 4,-1.2 45,-0.1 -1,-0.1 0.240 81.1 89.7 118.3 -9.0 42.8 -10.4 16.5 93 109 A I H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.1 5,-0.3 0.899 74.3 59.2 -92.3 -43.7 41.6 -11.0 20.0 94 110 A P H > S+ 0 0 14 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.872 110.9 48.5 -50.3 -36.5 42.3 -14.7 20.7 95 111 A E H > S+ 0 0 26 2,-0.2 4,-3.7 -8,-0.2 5,-0.2 0.964 109.4 47.1 -69.4 -54.5 45.9 -13.8 20.0 96 112 A I H X S+ 0 0 2 -4,-1.2 4,-1.2 1,-0.2 -1,-0.2 0.839 115.3 49.9 -57.1 -33.2 46.2 -10.7 22.3 97 113 A E H X S+ 0 0 11 -4,-2.7 4,-1.4 2,-0.2 3,-0.4 0.942 110.6 48.6 -63.1 -50.7 44.5 -12.9 24.9 98 114 A G H <>S+ 0 0 0 -4,-2.3 5,-1.4 -5,-0.3 6,-0.5 0.914 108.1 55.5 -52.7 -47.9 47.0 -15.7 24.2 99 115 A A H ><5S+ 0 0 8 -4,-3.7 3,-0.9 1,-0.2 -1,-0.2 0.834 103.9 53.5 -54.1 -37.2 49.8 -13.1 24.5 100 116 A L H 3<5S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.828 108.2 49.7 -72.7 -28.3 48.5 -12.2 28.0 101 117 A E T 3<5S- 0 0 9 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.445 116.5-118.7 -80.7 -2.8 48.7 -15.8 29.0 102 118 A D T < 5S+ 0 0 71 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.972 86.8 108.9 58.4 58.3 52.3 -15.9 27.6 103 119 A Q S > + 0 0 68 -2,-1.1 4,-2.7 1,-0.2 3,-1.5 -0.383 14.2 166.7 -79.4 72.1 55.4 -10.2 16.4 108 124 A W H 3> + 0 0 58 -2,-2.8 4,-1.0 1,-0.3 -1,-0.2 0.703 66.0 64.2 -66.4 -24.0 55.0 -6.5 16.1 109 125 A W H 34 S+ 0 0 139 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.807 118.9 26.7 -64.8 -29.0 57.5 -6.1 13.2 110 126 A R H <> S+ 0 0 99 -3,-1.5 4,-2.0 2,-0.1 -2,-0.2 0.788 119.6 52.7-102.6 -36.5 55.2 -8.2 11.1 111 127 A V H X>S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.5 0.896 99.3 60.1 -76.2 -43.1 51.7 -7.7 12.5 112 128 A L H X5S+ 0 0 36 -4,-1.0 4,-2.1 -5,-0.2 5,-0.3 0.968 115.6 33.8 -47.4 -66.3 51.5 -3.9 12.5 113 129 A P H >5S+ 0 0 56 0, 0.0 4,-2.3 0, 0.0 5,-0.5 0.910 121.8 48.9 -60.4 -44.9 51.9 -3.6 8.7 114 130 A V H X5S+ 0 0 5 -4,-2.0 4,-3.4 2,-0.2 5,-0.4 0.969 115.4 40.1 -58.4 -56.5 50.1 -6.9 7.9 115 131 A K H X5S+ 0 0 0 -4,-3.1 4,-1.7 3,-0.2 -1,-0.2 0.897 117.8 49.7 -60.9 -44.2 46.9 -6.3 10.0 116 132 A F H XS+ 0 0 0 -4,-1.7 4,-3.0 -5,-0.4 5,-0.6 0.936 102.4 59.9 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106.8 62.3 -63.3 -39.7 19.6 -14.9 22.5 247 263 A G H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.796 109.3 37.8 -57.7 -33.8 20.9 -17.4 25.1 248 264 A I H X S+ 0 0 82 -4,-1.4 4,-0.9 -3,-0.4 -1,-0.2 0.796 118.9 47.9 -88.3 -29.3 19.9 -20.4 22.9 249 265 A F H X S+ 0 0 32 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.763 99.9 71.4 -80.2 -23.5 20.9 -18.8 19.7 250 266 A G H >X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 3,-0.9 0.974 103.2 36.4 -49.9 -72.4 24.2 -17.6 21.1 251 267 A P H 3> S+ 0 0 3 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.747 114.4 58.4 -52.8 -34.4 25.9 -21.1 21.3 252 268 A I H 3X S+ 0 0 67 -4,-0.9 4,-1.3 2,-0.2 -2,-0.2 0.848 108.1 45.8 -67.3 -34.8 24.3 -22.1 18.1 253 269 A F H X S+ 0 0 62 -4,-1.7 3,-1.8 2,-0.2 4,-1.6 0.983 115.7 51.2 -59.6 -62.1 36.8 -26.1 9.4 263 279 A L H 3< S+ 0 0 97 -4,-3.1 4,-0.3 1,-0.3 -1,-0.2 0.780 110.8 49.3 -50.3 -33.7 34.5 -26.5 6.3 264 280 A L H 3X S+ 0 0 17 -4,-1.4 4,-0.7 1,-0.2 -1,-0.3 0.678 104.5 59.9 -81.7 -18.2 36.3 -23.5 4.6 265 281 A H H XX S+ 0 0 63 -3,-1.8 4,-4.2 -4,-0.7 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-6,-0.1 8,-0.1 0.667 97.4 57.0 -72.6 -14.6 21.9 -4.3 4.2 296 312 A T G < S+ 0 0 4 -3,-2.8 2,-0.3 -7,-0.3 -1,-0.2 0.510 110.2 47.6 -91.7 -5.0 23.3 -7.8 3.7 297 313 A S S < S+ 0 0 15 -3,-1.1 3,-0.3 -4,-0.3 -170,-0.1 -0.945 83.7 42.6-137.2 155.7 26.9 -6.4 3.4 298 314 A G S S- 0 0 17 -172,-0.4 -168,-0.1 -2,-0.3 -175,-0.0 -0.382 100.0 -48.1 100.6 178.4 29.2 -4.0 5.3 299 315 A G - 0 0 26 1,-0.1 47,-0.3 -2,-0.1 -1,-0.2 0.679 66.2-129.1 -63.8 -21.5 29.9 -3.4 9.0 300 316 A G S >> S+ 0 0 6 -3,-0.3 3,-0.8 46,-0.1 4,-0.7 0.023 78.8 112.5 97.6 -28.1 26.2 -3.2 9.9 301 317 A F T 34 S+ 0 0 36 1,-0.2 3,-0.1 2,-0.2 -3,-0.0 0.663 70.2 62.7 -50.5 -23.9 26.5 0.1 11.8 302 318 A N T 3> S+ 0 0 148 1,-0.2 4,-0.7 2,-0.1 -1,-0.2 0.924 102.0 45.1 -70.8 -46.8 24.3 1.8 9.1 303 319 A L H <> S+ 0 0 12 -3,-0.8 4,-2.8 1,-0.2 5,-0.3 0.512 94.1 82.7 -81.9 -2.9 21.1 -0.2 9.5 304 320 A I H X S+ 0 0 1 -4,-0.7 4,-2.4 2,-0.2 5,-0.3 0.990 93.1 43.3 -62.5 -58.9 21.2 0.1 13.3 305 321 A P H > S+ 0 0 39 0, 0.0 4,-1.4 0, 0.0 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46.1 -71.7 -45.7 10.0 -9.1 6.1 316 332 A M H > S+ 0 0 71 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.944 112.1 51.9 -60.1 -47.1 13.1 -6.9 5.8 317 333 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.906 114.1 42.5 -57.8 -44.2 14.1 -7.7 9.4 318 334 A V H X S+ 0 0 80 -4,-2.0 4,-2.0 2,-0.2 5,-0.3 0.949 116.2 49.3 -67.1 -47.4 13.8 -11.4 8.7 319 335 A F H X S+ 0 0 100 -4,-3.2 4,-2.6 1,-0.2 5,-0.3 0.965 112.1 47.1 -52.3 -59.3 15.5 -11.1 5.4 320 336 A I H X S+ 0 0 0 -4,-3.5 4,-2.7 1,-0.2 5,-0.2 0.876 110.5 52.9 -51.9 -44.7 18.4 -9.1 6.7 321 337 A F H X S+ 0 0 36 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.962 113.6 40.2 -61.2 -58.1 19.0 -11.4 9.7 322 338 A V H X S+ 0 0 84 -4,-2.0 4,-2.3 1,-0.2 3,-0.2 0.951 118.2 47.9 -51.7 -55.2 19.3 -14.6 7.7 323 339 A A H X S+ 0 0 18 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.868 115.3 45.4 -56.5 -40.0 21.3 -13.0 4.9 324 340 A R H X S+ 0 0 2 -4,-2.7 4,-1.5 -5,-0.3 -1,-0.2 0.725 106.7 57.5 -82.0 -23.6 23.7 -11.3 7.4 325 341 A V H X S+ 0 0 12 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.957 110.7 46.6 -62.9 -48.8 24.1 -14.5 9.4 326 342 A I H X S+ 0 0 96 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.933 115.4 42.2 -56.7 -53.5 25.3 -16.1 6.2 327 343 A T H X S+ 0 0 9 -4,-2.1 4,-2.1 1,-0.2 -199,-0.2 0.747 111.2 56.9 -72.9 -21.7 27.7 -13.4 5.1 328 344 A T H X S+ 0 0 1 -4,-1.5 4,-2.1 2,-0.2 5,-0.3 0.936 109.4 44.7 -72.4 -47.3 29.0 -12.9 8.7 329 345 A L H X S+ 0 0 15 -4,-2.2 4,-2.6 2,-0.2 5,-0.4 0.901 113.7 52.0 -56.5 -45.4 30.1 -16.5 8.9 330 346 A L H X S+ 0 0 47 -4,-2.0 4,-1.1 -5,-0.2 -2,-0.2 0.971 115.6 38.2 -58.6 -55.4 31.5 -16.4 5.4 331 347 A C H <>S+ 0 0 0 -4,-2.1 5,-0.5 1,-0.2 4,-0.5 0.811 125.6 37.8 -67.4 -30.7 33.7 -13.3 6.1 332 348 A F H ><5S+ 0 0 8 -4,-2.1 3,-0.6 -5,-0.2 -3,-0.2 0.906 115.3 46.9 -93.3 -43.8 34.7 -14.2 9.6 333 349 A S H 3<5S+ 0 0 5 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.702 101.5 71.1 -71.5 -17.8 35.2 -18.0 9.5 334 350 A S T 3<5S- 0 0 3 -4,-1.1 -1,-0.2 -5,-0.4 -2,-0.2 0.881 109.9-115.8 -61.8 -42.0 37.2 -17.6 6.3 335 351 A G T < 5 + 0 0 23 -3,-0.6 -245,-1.9 -4,-0.5 -3,-0.1 0.384 58.5 154.6 114.3 -1.6 40.1 -16.0 8.2 336 352 A A < - 0 0 0 -5,-0.5 2,-0.3 -247,-0.2 -1,-0.3 -0.247 58.3 -95.7 -51.0 143.0 40.0 -12.6 6.6 337 353 A P S S+ 0 0 0 0, 0.0 2,-0.2 0, 0.0 -246,-0.2 -0.548 82.8 88.9 -65.7 125.5 41.5 -9.9 8.8 338 354 A G - 0 0 0 -248,-1.9 -207,-0.2 -2,-0.3 -3,-0.1 -0.604 66.5 -89.6 151.6 149.0 38.6 -8.3 10.7 339 355 A G B -A 130 0A 0 -209,-1.8 -209,-1.6 -2,-0.2 -249,-0.0 -0.177 6.7-156.3 -81.2 167.3 36.3 -8.3 13.7 340 356 A I S > S+ 0 0 1 -211,-0.2 4,-1.0 2,-0.1 5,-0.1 0.528 78.7 82.9-116.6 -16.5 32.9 -9.9 14.6 341 357 A F H >> S+ 0 0 4 1,-0.2 4,-1.4 2,-0.2 3,-1.3 0.953 90.0 49.2 -48.2 -63.2 31.8 -7.5 17.3 342 358 A A H 3> S+ 0 0 2 1,-0.3 4,-1.6 2,-0.2 3,-0.2 0.853 112.5 46.6 -58.4 -39.1 30.4 -4.8 15.0 343 359 A P H 3> S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.673 107.8 58.1 -75.3 -12.5 28.3 -7.3 13.0 344 360 A M H X> + 0 0 42 -4,-1.2 3,-1.3 -3,-0.5 4,-0.6 -0.555 49.3 153.6-134.0 73.3 0.5 -5.8 24.0 364 380 A P T 345S+ 0 0 35 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.744 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427 A I H X S+ 0 0 16 -4,-3.0 4,-2.4 1,-0.3 5,-0.3 0.913 111.4 43.8 -49.7 -52.6 18.1 -8.2 32.1 412 428 A T H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -1,-0.3 0.888 114.4 53.1 -60.7 -36.1 18.3 -9.3 28.4 413 429 A G H X S+ 0 0 2 -4,-1.6 4,-2.2 -5,-0.3 -2,-0.2 0.926 110.8 44.2 -66.2 -47.3 22.1 -9.5 28.8 414 430 A L H X S+ 0 0 6 -4,-2.9 4,-2.1 2,-0.2 5,-0.2 0.908 112.6 51.1 -62.2 -46.6 22.0 -11.9 31.8 415 431 A G H X S+ 0 0 3 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.884 111.3 50.3 -60.8 -35.6 19.3 -14.0 30.3 416 432 A A H X S+ 0 0 0 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.923 114.9 40.8 -69.1 -43.2 21.4 -14.3 27.2 417 433 A T H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.674 114.8 52.9 -81.8 -17.3 24.6 -15.3 29.0 418 434 A L H X S+ 0 0 26 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.741 113.5 42.3 -82.6 -30.9 22.7 -17.6 31.5 419 435 A L H X S+ 0 0 42 -4,-1.6 4,-1.3 -5,-0.2 -2,-0.2 0.708 110.0 57.5 -90.4 -22.7 21.0 -19.5 28.7 420 436 A A H <>S+ 0 0 0 -4,-1.4 5,-0.6 -5,-0.2 -2,-0.2 0.917 112.8 41.2 -68.8 -44.9 24.2 -19.6 26.7 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451 22 B I H X S+ 0 0 10 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.851 112.7 45.0 -55.1 -35.1 43.5 -25.4 26.9 452 23 B R H < S+ 0 0 152 -4,-1.2 4,-0.3 -3,-0.2 -1,-0.2 0.797 112.2 51.4 -81.6 -29.2 41.4 -27.4 29.4 453 24 B Q H >< S+ 0 0 54 -4,-1.9 3,-1.0 -3,-0.2 -2,-0.2 0.901 107.8 51.0 -72.4 -44.8 40.5 -24.3 31.5 454 25 B L H >< S+ 0 0 6 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.910 105.5 56.0 -57.9 -44.8 39.3 -22.2 28.6 455 26 B L T 3< S+ 0 0 68 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.669 113.2 44.0 -63.9 -15.1 37.0 -25.0 27.5 456 27 B E T < S+ 0 0 77 -3,-1.0 3,-0.4 -4,-0.3 -1,-0.3 -0.163 85.8 133.6-122.3 36.3 35.5 -24.9 31.0 457 28 B R < + 0 0 20 -3,-1.6 -3,-0.1 1,-0.2 -265,-0.0 -0.550 64.1 14.2 -89.5 156.3 35.2 -21.1 31.5 458 29 B D S S+ 0 0 38 -2,-0.2 -1,-0.2 1,-0.1 2,-0.1 0.917 76.3 137.4 42.9 58.6 32.1 -19.3 32.9 459 30 B K - 0 0 104 -3,-0.4 -1,-0.1 -33,-0.0 3,-0.0 -0.552 28.6-179.8-123.4 64.3 30.4 -22.4 34.2 460 31 B T - 0 0 8 1,-0.1 5,-0.1 2,-0.1 -3,-0.0 -0.527 38.7-105.3 -62.9 125.6 29.1 -21.0 37.5 461 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31.6 14.9 42.1 824 395 B G T 3X S+ 0 0 10 -4,-0.5 4,-1.5 1,-0.2 -1,-0.3 0.209 97.9 95.6 -98.1 14.5 33.3 11.5 42.1 825 396 B A H <> S+ 0 0 1 -3,-1.3 4,-3.2 2,-0.2 -1,-0.2 0.885 82.7 49.5 -74.1 -41.4 36.8 13.0 42.2 826 397 B L H X>S+ 0 0 0 -4,-0.7 4,-2.5 -3,-0.3 5,-0.8 0.927 109.0 54.1 -59.9 -47.3 37.1 12.7 46.1 827 398 B L H >>S+ 0 0 2 -4,-0.3 6,-1.2 1,-0.2 4,-0.9 0.904 112.3 46.4 -47.3 -44.0 35.9 9.1 45.6 828 399 B A H <5S+ 0 0 1 -4,-1.5 4,-0.5 4,-0.2 -2,-0.2 0.958 119.1 37.5 -64.8 -51.4 38.8 8.9 43.2 829 400 B A H <5S+ 0 0 1 -4,-3.2 -2,-0.2 2,-0.1 -3,-0.2 0.960 126.5 30.0 -67.9 -55.3 41.5 10.6 45.4 830 401 B S H <5S+ 0 0 0 -4,-2.5 43,-2.5 1,-0.1 -3,-0.2 0.797 133.4 26.7 -78.9 -40.0 40.6 9.3 48.9 831 402 B I T < + 0 0 3 -6,-1.2 4,-2.2 1,-0.1 -1,-0.1 -0.724 25.8 160.7-128.4 83.4 38.3 3.6 43.1 834 405 B P H > S+ 0 0 9 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.825 71.1 53.5 -82.8 -29.9 38.1 6.0 40.1 835 406 B L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.968 113.2 44.8 -62.2 -53.6 36.3 3.6 37.7 836 407 B T H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.901 112.7 52.1 -55.0 -48.5 33.6 3.0 40.3 837 408 B G H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.945 112.4 44.8 -53.3 -53.7 33.3 6.7 41.2 838 409 B I H X S+ 0 0 9 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.971 113.1 48.2 -57.0 -59.6 32.9 7.7 37.5 839 410 B I H X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.2 -215,-0.3 0.843 112.3 51.6 -55.3 -32.9 30.4 4.9 36.6 840 411 B L H X S+ 0 0 1 -4,-2.2 4,-1.1 -5,-0.3 -1,-0.2 0.973 111.4 44.4 -65.9 -55.6 28.4 5.8 39.8 841 412 B V H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 5,-0.4 0.863 112.8 54.8 -57.4 -35.7 28.2 9.6 39.0 842 413 B L H X S+ 0 0 8 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.953 108.7 46.9 -58.9 -48.6 27.3 8.6 35.4 843 414 B E H < S+ 0 0 10 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.626 119.0 41.3 -72.7 -14.0 24.4 6.4 36.6 844 415 B M H < S+ 0 0 23 -4,-1.1 -176,-0.2 -3,-0.3 -1,-0.2 0.807 123.2 32.5-100.3 -38.4 23.1 9.1 38.9 845 416 B T H < S- 0 0 4 -4,-2.8 -175,-0.2 -5,-0.2 -3,-0.2 0.681 82.3-149.4 -96.0 -20.2 23.6 12.3 36.8 846 417 B D < + 0 0 49 -4,-2.1 2,-0.5 -5,-0.4 3,-0.2 0.740 51.5 132.8 56.9 27.9 23.0 10.9 33.2 847 418 B N > + 0 0 0 -6,-0.3 3,-2.8 1,-0.2 -1,-0.1 -0.424 20.1 163.6-104.6 62.3 25.3 13.5 31.6 848 419 B Y G > + 0 0 26 -2,-0.5 3,-2.2 1,-0.3 4,-0.2 0.677 65.4 71.9 -54.0 -26.6 27.3 11.0 29.4 849 420 B Q G 3 S+ 0 0 33 1,-0.3 -173,-0.5 -3,-0.2 -1,-0.3 0.591 93.1 59.5 -66.5 -9.6 28.6 13.8 27.2 850 421 B L G <> S+ 0 0 0 -3,-2.8 4,-2.7 1,-0.2 5,-0.3 0.377 71.3 109.0 -97.3 4.3 30.8 14.7 30.2 851 422 B I H <> S+ 0 0 2 -3,-2.2 4,-1.9 1,-0.2 5,-0.2 0.847 77.5 50.4 -48.7 -42.7 32.4 11.2 30.2 852 423 B L H > S+ 0 0 7 -3,-0.3 4,-2.5 -4,-0.2 -1,-0.2 0.940 112.9 42.7 -68.4 -49.3 35.7 12.6 29.0 853 424 B P H > S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.885 114.6 52.7 -62.5 -33.7 36.0 15.4 31.5 854 425 B M H X S+ 0 0 6 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.802 112.3 45.0 -68.3 -32.5 34.8 13.0 34.3 855 426 B I H X S+ 0 0 3 -4,-1.9 4,-2.4 -5,-0.3 5,-0.3 0.874 112.2 52.3 -77.6 -36.7 37.5 10.5 33.3 856 427 B I H X S+ 0 0 14 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