==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 13-APR-12 4ENE . COMPND 2 MOLECULE: H(+)/CL(-) EXCHANGE TRANSPORTER CLCA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR HYUN-HO LIM,T.SHANE,C.MILLER . 1751 6 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67876.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1299 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 352 20.1 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 . 5 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 . 124 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 157 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 584 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 2.3 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 5 0 1 5 2 0 3 0 0 1 0 6 2 1 3 2 2 0 0 0 2 0 0 0 4 RESIDUES PER ALPHA HELIX . 1 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 . 9 4 15 4 10 16 2 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 0 108 0, 0.0 4,-2.6 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 20.3 -49.4 13.2 56.0 2 18 A R H > + 0 0 77 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.914 360.0 46.0 -57.7 -50.3 -48.1 10.2 58.1 3 19 A R H > S+ 0 0 175 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.791 112.2 52.9 -68.9 -26.3 -51.4 8.3 58.4 4 20 A Q H >> S+ 0 0 112 -3,-0.2 4,-2.5 2,-0.2 3,-0.8 0.969 109.7 48.1 -67.7 -56.2 -52.0 8.8 54.6 5 21 A L H 3X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.3 5,-0.3 0.925 107.0 56.1 -43.8 -55.0 -48.6 7.4 53.8 6 22 A I H 3X S+ 0 0 19 -4,-2.6 4,-1.3 1,-0.2 -1,-0.3 0.848 109.5 48.2 -52.8 -32.5 -49.1 4.4 56.1 7 23 A R H < S+ 0 0 51 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.873 108.7 55.8 -59.0 -42.7 -50.6 4.0 50.7 9 25 A L H >< S+ 0 0 7 -4,-3.3 3,-1.5 1,-0.3 -1,-0.2 0.923 106.6 50.8 -56.0 -44.7 -47.6 1.9 51.7 10 26 A L H 3< S+ 0 0 63 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.626 114.2 45.2 -72.3 -11.6 -49.9 -1.0 52.7 11 27 A E T << S+ 0 0 73 -3,-1.0 3,-0.3 -4,-0.6 -1,-0.3 0.125 83.5 137.5-115.3 17.4 -51.6 -0.7 49.3 12 28 A R < + 0 0 18 -3,-1.5 -3,-0.1 1,-0.2 625,-0.0 -0.366 63.6 13.2 -71.3 144.3 -48.5 -0.4 47.1 13 29 A D S S+ 0 0 42 1,-0.1 -1,-0.2 858,-0.1 185,-0.0 0.953 74.6 138.6 60.2 59.7 -48.3 -2.3 43.8 14 30 A K - 0 0 118 -3,-0.3 -1,-0.1 853,-0.0 3,-0.1 -0.403 27.2-179.0-128.1 57.4 -51.9 -3.4 43.3 15 31 A T - 0 0 8 1,-0.1 2,-0.1 2,-0.1 5,-0.0 -0.338 39.6-101.2 -54.9 131.9 -52.4 -2.9 39.5 16 32 A P >> - 0 0 55 0, 0.0 4,-1.6 0, 0.0 3,-1.3 -0.404 24.5-126.8 -56.6 126.8 -56.0 -3.8 38.5 17 33 A L H 3> S+ 0 0 107 1,-0.3 4,-2.3 2,-0.2 5,-0.3 0.785 108.4 62.7 -47.6 -32.7 -56.1 -7.3 36.9 18 34 A A H 3> S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.933 104.9 45.4 -61.0 -44.5 -57.9 -5.7 33.9 19 35 A I H <> S+ 0 0 11 -3,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.888 111.2 53.2 -67.5 -37.4 -54.9 -3.5 33.1 20 36 A L H X S+ 0 0 7 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.947 112.0 43.5 -62.3 -51.8 -52.4 -6.3 33.5 21 37 A F H X S+ 0 0 127 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.880 114.7 49.5 -59.6 -43.4 -54.2 -8.6 31.1 22 38 A M H X S+ 0 0 21 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.783 104.8 59.1 -70.6 -25.2 -54.8 -5.8 28.6 23 39 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.882 104.5 53.0 -66.1 -36.5 -51.1 -4.9 28.9 24 40 A A H X S+ 0 0 24 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.915 110.1 44.2 -64.9 -47.0 -50.4 -8.4 27.7 25 41 A V H X S+ 0 0 34 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.857 110.8 56.0 -70.2 -32.3 -52.6 -8.2 24.6 26 42 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.931 110.4 44.7 -61.3 -44.4 -51.2 -4.7 23.8 27 43 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.903 110.2 53.6 -69.5 -41.6 -47.7 -6.1 23.8 28 44 A T H X S+ 0 0 35 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.923 111.7 46.0 -57.9 -45.4 -48.6 -9.1 21.7 29 45 A L H X S+ 0 0 66 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.882 112.1 50.3 -66.1 -39.0 -50.1 -7.0 19.1 30 46 A V H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.883 108.8 52.3 -68.9 -37.3 -47.2 -4.5 19.0 31 47 A G H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.952 111.5 46.0 -61.3 -51.5 -44.7 -7.3 18.7 32 48 A L H X S+ 0 0 74 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.873 113.4 49.6 -59.2 -42.0 -46.5 -8.8 15.7 33 49 A A H X S+ 0 0 22 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.899 112.0 48.1 -66.2 -39.5 -46.9 -5.3 14.1 34 50 A A H X S+ 0 0 9 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.894 112.3 49.1 -68.1 -41.8 -43.2 -4.6 14.6 35 51 A V H X S+ 0 0 9 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.972 113.4 46.5 -57.3 -55.1 -42.3 -8.0 13.1 36 52 A A H X S+ 0 0 46 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.886 112.1 50.8 -55.7 -41.6 -44.5 -7.4 10.2 37 53 A F H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.929 112.2 48.0 -64.5 -41.7 -43.1 -3.9 9.7 38 54 A D H X S+ 0 0 31 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.924 110.7 49.2 -64.5 -49.0 -39.6 -5.3 9.8 39 55 A K H X S+ 0 0 87 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.905 111.3 51.8 -56.6 -43.5 -40.3 -8.1 7.3 40 56 A G H X S+ 0 0 19 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.919 107.6 50.2 -61.9 -46.9 -41.9 -5.6 4.9 41 57 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.928 113.1 46.7 -57.9 -45.8 -39.0 -3.1 5.0 42 58 A A H X S+ 0 0 46 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.912 108.4 55.7 -64.5 -41.9 -36.5 -5.9 4.3 43 59 A W H X S+ 0 0 157 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.828 109.9 46.4 -59.6 -35.3 -38.7 -7.3 1.4 44 60 A L H X S+ 0 0 30 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.841 107.6 54.8 -77.0 -35.7 -38.7 -3.9 -0.3 45 61 A Q H X S+ 0 0 59 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.864 110.6 49.9 -65.1 -33.1 -35.0 -3.4 0.1 46 62 A N H >X S+ 0 0 109 -4,-1.9 4,-2.6 2,-0.2 3,-1.5 0.993 106.0 51.5 -63.9 -65.2 -34.7 -6.8 -1.6 47 63 A Q H 3X S+ 0 0 88 -4,-2.1 4,-1.6 1,-0.3 -2,-0.2 0.883 110.0 52.8 -37.5 -48.6 -37.0 -6.0 -4.6 48 64 A R H 3X S+ 0 0 41 -4,-2.2 4,-1.5 1,-0.2 -1,-0.3 0.875 109.9 48.0 -59.5 -37.0 -34.8 -2.9 -5.0 49 65 A M H < S+ 0 0 93 -4,-0.6 3,-1.7 2,-0.2 -1,-0.2 0.940 97.7 52.0 -77.4 -52.6 -29.7 -6.8 -11.3 54 70 A H H 3< S+ 0 0 161 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.639 124.5 32.8 -57.1 -11.6 -31.9 -6.7 -14.4 55 71 A T T 3< S+ 0 0 22 -4,-0.7 -1,-0.3 2,-0.1 -2,-0.2 -0.080 77.0 119.3-138.9 35.6 -30.1 -3.5 -15.2 56 72 A A S < S+ 0 0 66 -3,-1.7 3,-0.2 1,-0.2 -2,-0.1 0.400 71.3 63.1 -85.2 2.8 -26.6 -3.9 -13.9 57 73 A D S S+ 0 0 144 1,-0.2 2,-1.6 -4,-0.1 -1,-0.2 0.892 91.9 59.1 -91.2 -49.3 -25.1 -3.5 -17.3 58 74 A N S >> S- 0 0 87 1,-0.2 4,-2.7 2,-0.1 3,-1.3 -0.573 70.8-164.6 -86.2 78.3 -26.1 0.1 -18.2 59 75 A Y H 3> S+ 0 0 133 -2,-1.6 4,-2.3 1,-0.3 -1,-0.2 0.716 89.6 48.6 -36.5 -39.4 -24.4 2.0 -15.3 60 76 A P H 3> S+ 0 0 81 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.927 113.1 45.4 -66.3 -46.8 -26.6 5.0 -16.1 61 77 A L H <> S+ 0 0 74 -3,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.846 112.3 55.7 -63.1 -33.5 -29.8 3.0 -16.2 62 78 A L H X S+ 0 0 3 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.969 108.2 44.7 -59.2 -56.9 -28.5 1.3 -13.0 63 79 A L H X S+ 0 0 42 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.743 114.5 53.1 -60.9 -22.5 -28.2 4.7 -11.2 64 80 A T H X S+ 0 0 68 -4,-1.3 4,-2.7 2,-0.2 5,-0.2 0.879 106.1 47.6 -84.2 -41.4 -31.6 5.7 -12.5 65 81 A V H X S+ 0 0 29 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.694 111.4 54.4 -73.7 -18.8 -33.6 2.7 -11.4 66 82 A A H X S+ 0 0 3 -4,-1.3 4,-1.3 -5,-0.2 -2,-0.2 0.925 112.5 41.9 -75.5 -47.9 -32.0 3.0 -8.0 67 83 A F H X S+ 0 0 71 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.942 119.4 43.0 -64.2 -50.2 -33.1 6.7 -7.7 68 84 A L H X S+ 0 0 96 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.925 109.5 55.5 -65.3 -47.2 -36.6 6.2 -9.1 69 85 A C H X S+ 0 0 49 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.866 117.7 36.9 -52.2 -38.0 -37.3 3.0 -7.2 70 86 A S H X S+ 0 0 1 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.716 112.6 58.1 -89.6 -24.6 -36.6 4.8 -4.0 71 87 A A H X S+ 0 0 7 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.949 109.3 45.4 -66.2 -50.4 -38.1 8.1 -5.1 72 88 A V H X S+ 0 0 87 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.934 114.4 47.0 -58.1 -50.4 -41.4 6.4 -5.7 73 89 A L H X S+ 0 0 40 -4,-1.3 4,-1.2 -5,-0.3 -1,-0.2 0.908 114.1 50.1 -60.1 -40.3 -41.4 4.5 -2.4 74 90 A A H >X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 3,-1.0 0.975 110.3 47.0 -60.3 -58.7 -40.4 7.7 -0.6 75 91 A M H 3X S+ 0 0 52 -4,-2.9 4,-3.4 1,-0.3 5,-0.3 0.919 106.3 59.3 -51.8 -49.8 -43.1 9.9 -2.1 76 92 A F H 3X S+ 0 0 103 -4,-2.5 4,-2.0 1,-0.2 -1,-0.3 0.856 109.7 44.6 -45.6 -40.0 -45.7 7.3 -1.4 77 93 A G H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 3,-0.6 0.931 113.5 48.9 -57.6 -48.2 -44.6 11.4 2.4 79 95 A F H 3X S+ 0 0 80 -4,-3.4 4,-2.9 1,-0.2 5,-0.4 0.969 105.0 55.6 -57.7 -56.8 -48.0 11.5 0.7 80 96 A L H 3X S+ 0 0 29 -4,-2.0 4,-1.0 -5,-0.3 5,-0.3 0.755 114.2 44.5 -47.1 -26.6 -49.7 9.0 3.0 81 97 A V H < + 0 0 0 -4,-1.8 3,-1.8 -5,-0.3 -1,-0.2 -0.444 50.2 174.8-164.6 79.9 -52.1 11.7 9.3 86 102 A P G > S+ 0 0 60 0, 0.0 3,-0.9 0, 0.0 -4,-0.1 0.658 82.9 63.1 -64.1 -19.4 -49.6 14.7 9.6 87 103 A E G 3 S+ 0 0 13 1,-0.2 8,-0.1 -6,-0.1 -5,-0.1 0.369 88.4 71.6 -90.6 7.7 -48.7 13.7 13.1 88 104 A A G < S+ 0 0 0 -3,-1.8 -1,-0.2 -7,-0.2 2,-0.1 0.198 78.2 109.4 -98.4 11.6 -47.3 10.5 11.8 89 105 A G S < S- 0 0 21 -3,-0.9 247,-0.2 248,-0.1 246,-0.0 -0.456 76.7 -3.6 -80.9 161.3 -44.4 12.4 10.3 90 106 A G S S- 0 0 10 245,-1.5 248,-2.6 246,-0.2 243,-0.1 -0.180 122.9 -25.7 56.4-144.9 -40.9 12.2 11.6 91 107 A S - 0 0 3 246,-0.2 46,-0.3 1,-0.1 -1,-0.2 0.997 60.9-150.3 -67.8 -71.1 -40.3 10.1 14.7 92 108 A G S > S+ 0 0 3 44,-0.1 4,-2.4 45,-0.1 5,-0.2 0.209 73.3 100.2 110.6 -12.6 -43.6 10.0 16.6 93 109 A I H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.903 82.1 53.7 -66.9 -40.9 -41.9 9.6 20.0 94 110 A P H > S+ 0 0 8 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.910 110.0 48.9 -59.4 -39.1 -42.5 13.4 20.5 95 111 A E H > S+ 0 0 25 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.937 110.3 48.0 -63.3 -50.1 -46.2 12.8 19.7 96 112 A I H X S+ 0 0 3 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.830 110.1 53.6 -62.9 -30.8 -46.6 9.8 22.1 97 113 A E H X S+ 0 0 12 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.935 107.6 51.7 -63.8 -46.5 -44.9 11.9 24.7 98 114 A G H >X>S+ 0 0 0 -4,-2.1 5,-2.0 1,-0.2 3,-1.6 0.950 107.0 52.5 -47.9 -57.4 -47.5 14.5 24.0 99 115 A A H ><5S+ 0 0 7 -4,-2.6 3,-0.7 1,-0.3 -1,-0.2 0.802 105.0 55.1 -53.9 -34.6 -50.3 12.0 24.4 100 116 A L H 3<5S+ 0 0 1 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.744 106.9 50.4 -72.9 -23.0 -49.0 10.9 27.8 101 117 A E H <<5S- 0 0 12 -3,-1.6 -1,-0.3 -4,-1.1 -2,-0.2 0.533 117.1-119.7 -83.5 -8.9 -49.2 14.6 28.9 102 118 A D T <<5S+ 0 0 69 -3,-0.7 -3,-0.2 -4,-0.6 -2,-0.1 0.835 87.0 111.4 68.5 36.4 -52.8 14.5 27.6 103 119 A Q < + 0 0 36 -5,-2.0 -4,-0.2 1,-0.2 -5,-0.1 0.303 68.4 45.3-119.5 4.2 -51.8 17.3 25.2 104 120 A R S S- 0 0 41 -6,-0.4 2,-0.2 -8,-0.1 -2,-0.2 -0.993 81.0-113.8-149.4 144.7 -52.1 15.4 21.9 105 121 A P - 0 0 65 0, 0.0 2,-0.9 0, 0.0 -6,-0.1 -0.548 12.3-139.6 -81.4 143.8 -54.6 13.0 20.4 106 122 A V - 0 0 14 -2,-0.2 2,-2.4 -7,-0.1 3,-0.2 -0.722 21.5-175.1 -97.7 82.3 -53.9 9.3 19.7 107 123 A R >> + 0 0 69 -2,-0.9 4,-2.6 1,-0.2 3,-2.2 -0.376 13.5 165.2 -79.0 68.5 -55.7 9.0 16.3 108 124 A W H 3> + 0 0 60 -2,-2.4 4,-1.0 1,-0.3 -1,-0.2 0.786 68.4 63.2 -62.1 -30.2 -55.2 5.2 16.0 109 125 A W H 34 S+ 0 0 142 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.734 118.9 29.6 -63.2 -18.9 -57.8 4.8 13.2 110 126 A R H <> S+ 0 0 103 -3,-2.2 4,-1.7 3,-0.1 -2,-0.2 0.788 119.5 47.4-107.7 -41.4 -55.5 7.1 11.2 111 127 A V H X>S+ 0 0 1 -4,-2.6 4,-3.8 2,-0.2 5,-0.6 0.932 100.2 63.0 -76.8 -46.6 -51.9 6.6 12.3 112 128 A L H X5S+ 0 0 31 -4,-1.0 4,-2.1 1,-0.2 5,-0.3 0.922 114.5 33.9 -42.1 -61.0 -51.6 2.8 12.4 113 129 A P H >>S+ 0 0 58 0, 0.0 4,-2.1 0, 0.0 5,-0.5 0.926 122.7 47.2 -65.4 -43.2 -52.2 2.5 8.7 114 130 A V H X5S+ 0 0 4 -4,-1.7 4,-2.9 3,-0.2 5,-0.3 0.960 117.4 39.4 -63.3 -53.2 -50.4 5.7 7.8 115 131 A K H X5S+ 0 0 0 -4,-3.8 4,-3.7 3,-0.2 5,-0.3 0.954 118.7 48.2 -63.2 -51.5 -47.3 5.1 9.9 116 132 A F H XXS+ 0 0 0 -4,-3.7 4,-3.4 -5,-0.3 5,-0.6 0.899 103.2 61.7 -62.7 -45.4 -42.7 3.9 7.0 120 136 A L H 3X5S+ 0 0 20 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.864 106.9 49.7 -44.4 -39.9 -42.4 0.8 4.8 121 137 A G H S+ 0 0 0 -4,-1.4 5,-1.8 2,-0.2 -2,-0.2 0.931 125.8 39.8 -76.9 -47.0 -39.4 5.5 3.6 123 139 A L H ><5S+ 0 0 6 -4,-3.4 3,-1.6 1,-0.2 -3,-0.2 0.917 115.5 51.7 -65.9 -45.2 -37.5 2.7 5.3 124 140 A G H 3< S+ 0 0 55 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.760 96.3 75.0 -70.7 -27.2 -37.7 1.6 12.8 132 148 A E H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 5,-0.3 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0.824 116.9 41.4 -62.3 -31.8 -28.4 -5.3 25.3 399 415 A M H < S+ 0 0 16 -4,-1.9 -176,-0.3 -3,-0.3 -1,-0.2 0.757 127.5 28.2 -88.0 -26.2 -27.3 -5.1 21.7 400 416 A T H < S- 0 0 7 -4,-2.7 -175,-0.2 -5,-0.2 -3,-0.2 0.610 83.0-149.1-115.9 -14.8 -23.6 -5.6 22.1 401 417 A D < + 0 0 50 -4,-2.8 2,-0.3 -5,-0.4 3,-0.1 0.843 48.8 136.2 51.6 42.1 -23.4 -7.7 25.2 402 418 A N > + 0 0 1 -5,-0.1 3,-2.6 -6,-0.1 -1,-0.2 -0.523 18.7 165.8-112.4 64.7 -20.0 -6.4 26.3 403 419 A Y G > + 0 0 26 1,-0.3 3,-2.3 -2,-0.3 4,-0.2 0.743 65.4 72.2 -55.2 -27.8 -20.7 -5.9 30.0 404 420 A Q G 3 S+ 0 0 27 1,-0.3 -173,-0.4 -3,-0.1 -1,-0.3 0.660 93.2 58.1 -64.4 -15.3 -17.1 -5.5 31.0 405 421 A L G <> S+ 0 0 0 -3,-2.6 4,-2.6 1,-0.2 -1,-0.3 0.294 71.9 111.8 -93.9 11.0 -17.2 -2.0 29.3 406 422 A I H <> S+ 0 0 0 -3,-2.3 4,-2.3 1,-0.2 5,-0.2 0.901 75.8 49.5 -52.7 -48.2 -20.1 -0.8 31.6 407 423 A L H > S+ 0 0 8 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.940 113.8 42.6 -58.6 -55.5 -17.9 1.8 33.4 408 424 A P H > S+ 0 0 3 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 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3,-0.6 0.910 107.8 61.9 -69.9 -43.1 -27.2 14.1 54.6 590 161 B M H 3X S+ 0 0 36 -4,-2.9 4,-2.6 1,-0.3 -2,-0.2 0.840 107.3 41.7 -53.9 -40.0 -23.8 14.7 56.2 591 162 B V H 3X S+ 0 0 3 -4,-1.5 4,-1.3 2,-0.2 -1,-0.3 0.678 109.4 59.0 -85.5 -15.5 -22.5 16.6 53.2 592 163 B L H <<>S+ 0 0 8 -4,-0.8 5,-2.0 -3,-0.6 -2,-0.2 0.908 114.0 39.3 -69.8 -42.2 -25.8 18.4 52.8 593 164 B D H ><5S+ 0 0 49 -4,-2.5 3,-1.8 3,-0.2 -2,-0.2 0.955 111.7 53.6 -73.2 -54.5 -25.3 19.7 56.3 594 165 B I H 3<5S+ 0 0 105 -4,-2.6 -1,-0.2 1,-0.3 -3,-0.2 0.903 121.3 33.7 -45.2 -47.3 -21.5 20.4 56.2 595 166 B F T 3<5S- 0 0 107 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.311 103.7-135.3 -96.1 7.7 -22.0 22.5 53.1 596 167 B R T < 5 + 0 0 225 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.844 34.3 178.3 37.7 54.6 -25.4 23.8 54.2 597 168 B L < - 0 0 45 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.2 -0.654 14.6-146.1 -81.4 143.2 -27.0 23.3 50.8 598 169 B K + 0 0 194 -2,-0.3 4,-0.4 4,-0.0 2,-0.1 -0.766 42.5 54.6-117.6 156.9 -30.7 24.3 50.9 599 170 B G S > S- 0 0 46 -2,-0.3 4,-1.1 2,-0.1 5,-0.1 -0.278 78.8 -87.9 113.8 162.7 -33.9 23.1 49.2 600 171 B D H > S+ 0 0 85 2,-0.2 4,-2.6 3,-0.1 5,-0.3 0.883 120.4 58.2 -71.0 -41.4 -35.9 20.0 48.7 601 172 B E H > S+ 0 0 56 1,-0.2 4,-3.7 2,-0.2 3,-0.3 0.978 107.9 44.7 -52.9 -64.0 -34.0 19.0 45.6 602 173 B A H > S+ 0 0 3 -4,-0.4 4,-1.7 1,-0.2 5,-0.3 0.823 114.3 49.2 -50.4 -40.0 -30.6 18.9 47.3 603 174 B R H X S+ 0 0 46 -4,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.917 118.9 37.9 -69.3 -41.8 -31.9 17.0 50.3 604 175 B H H X S+ 0 0 9 -4,-2.6 4,-2.3 -3,-0.3 -2,-0.2 0.923 119.1 47.5 -76.7 -46.6 -33.7 14.4 48.3 605 176 B T H >X S+ 0 0 0 -4,-3.7 4,-2.8 -5,-0.3 3,-0.6 0.991 113.8 44.7 -55.2 -66.6 -31.0 14.1 45.6 606 177 B L H 3X S+ 0 0 1 -4,-1.7 4,-1.7 1,-0.3 -1,-0.2 0.811 115.3 50.3 -51.7 -33.7 -28.0 13.9 47.9 607 178 B L H 3X S+ 0 0 3 -4,-1.1 4,-1.3 -5,-0.3 -1,-0.3 0.901 112.5 46.3 -71.7 -40.9 -29.9 11.4 50.0 608 179 B A H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 3,-0.7 0.959 111.0 50.1 -71.0 -50.9 -27.6 4.3 45.3 613 184 B A H 3X S+ 0 0 0 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-42,-0.2 4,-1.7 1,-0.2 5,-0.1 -0.751 13.5-161.0 -87.4 123.1 -32.1 14.5 40.0 644 215 B I H > S+ 0 0 56 -2,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.899 90.5 55.8 -71.2 -40.4 -31.3 11.4 38.0 645 216 B K H > S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.846 108.1 49.7 -60.0 -35.0 -28.1 12.8 36.5 646 217 B A H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 108.6 51.2 -73.8 -38.6 -26.8 13.5 40.0 647 218 B V H X S+ 0 0 3 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.891 108.5 53.4 -63.1 -38.0 -27.6 10.0 41.2 648 219 B F H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 3,-0.4 0.958 106.8 51.2 -59.8 -53.1 -25.7 8.6 38.2 649 220 B I H X S+ 0 0 17 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.876 109.9 49.3 -51.2 -43.7 -22.6 10.7 39.0 650 221 B G H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.845 109.9 51.3 -70.2 -31.4 -22.5 9.4 42.5 651 222 B V H X S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.4 -2,-0.2 0.918 108.3 51.6 -72.0 -44.1 -22.9 5.9 41.5 652 223 B I H X S+ 0 0 17 -4,-2.5 4,-2.6 2,-0.2 3,-0.2 0.966 112.7 45.3 -49.8 -61.0 -20.0 6.2 39.0 653 224 B M H X S+ 0 0 50 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