==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 12-SEP-07 2R9H . COMPND 2 MOLECULE: H(+)/CL(-) EXCHANGE TRANSPORTER CLCA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.NGUITRAGOOL,C.MILLER . 1749 6 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 69072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1258 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 349 20.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 120 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 577 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 37 2.1 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 5 2 1 4 2 1 0 2 2 0 0 1 3 4 2 2 2 2 0 0 0 2 0 0 0 4 RESIDUES PER ALPHA HELIX . 0 0 2 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 . 7 6 12 6 9 13 5 0 2 2 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 2 8 2 0 4 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 0 167 0, 0.0 4,-0.9 0, 0.0 546,-0.0 0.000 360.0 360.0 360.0 -44.4 -49.5 -14.8 -55.6 2 18 A R H > + 0 0 67 2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.877 360.0 48.7 -81.1 -43.2 -48.4 -11.9 -57.8 3 19 A R H > S+ 0 0 147 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.888 113.5 49.0 -60.6 -43.1 -51.8 -10.2 -58.0 4 20 A Q H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.809 107.6 55.0 -66.5 -34.7 -52.2 -10.6 -54.2 5 21 A L H X S+ 0 0 13 -4,-0.9 4,-3.3 2,-0.2 5,-0.2 0.897 103.7 52.9 -69.5 -42.5 -48.7 -9.1 -53.7 6 22 A I H X S+ 0 0 22 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.860 110.8 49.9 -58.6 -36.8 -49.5 -5.9 -55.7 7 23 A R H X S+ 0 0 157 -4,-1.2 4,-0.5 2,-0.2 -2,-0.2 0.890 114.0 44.8 -67.7 -40.6 -52.5 -5.6 -53.4 8 24 A Q H >X S+ 0 0 59 -4,-1.9 3,-0.9 2,-0.2 4,-0.6 0.926 109.4 53.5 -70.1 -47.8 -50.3 -6.1 -50.3 9 25 A L H >< S+ 0 0 9 -4,-3.3 3,-0.8 1,-0.3 -1,-0.2 0.880 111.3 46.3 -54.9 -43.0 -47.5 -3.7 -51.3 10 26 A L H 3< S+ 0 0 50 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.622 114.3 49.2 -77.0 -14.3 -49.9 -0.8 -51.9 11 27 A E H X< S+ 0 0 69 -3,-0.9 3,-0.6 -4,-0.5 -1,-0.2 0.356 85.2 119.9-103.8 1.7 -51.7 -1.6 -48.6 12 28 A R T << + 0 0 28 -3,-0.8 3,-0.1 -4,-0.6 624,-0.1 -0.384 69.5 23.2 -73.7 148.2 -48.5 -1.7 -46.5 13 29 A D T 3 S+ 0 0 38 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.850 84.5 134.3 63.9 39.9 -47.9 0.7 -43.5 14 30 A K < + 0 0 119 -3,-0.6 -1,-0.2 852,-0.0 -3,-0.0 -0.874 27.0 174.4-121.1 97.5 -51.7 1.4 -43.1 15 31 A T - 0 0 9 -2,-0.5 5,-0.1 -3,-0.1 -3,-0.0 -0.913 39.0-106.9-106.6 123.2 -52.7 1.2 -39.4 16 32 A P >> - 0 0 61 0, 0.0 4,-1.4 0, 0.0 3,-1.3 -0.224 25.9-125.8 -47.8 127.3 -56.3 2.2 -38.5 17 33 A L H 3> S+ 0 0 113 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.750 108.1 62.6 -47.9 -34.0 -56.4 5.6 -36.7 18 34 A A H 3> S+ 0 0 54 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.905 103.6 47.5 -61.0 -43.7 -58.2 4.0 -33.8 19 35 A I H <> S+ 0 0 9 -3,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.902 111.7 51.4 -63.3 -42.3 -55.3 1.8 -33.0 20 36 A L H X S+ 0 0 9 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.932 109.7 47.0 -61.5 -50.8 -52.8 4.7 -33.3 21 37 A F H X S+ 0 0 144 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.845 113.8 50.0 -61.0 -35.5 -54.6 7.0 -30.9 22 38 A M H X S+ 0 0 26 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.796 102.8 59.5 -74.5 -29.7 -55.0 4.1 -28.4 23 39 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.871 103.6 53.9 -63.7 -36.9 -51.3 3.3 -28.7 24 40 A A H X S+ 0 0 25 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.922 108.4 46.6 -61.7 -48.1 -50.6 6.8 -27.4 25 41 A V H X S+ 0 0 49 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.834 109.4 56.1 -69.0 -30.6 -52.8 6.5 -24.3 26 42 A V H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.962 110.6 43.5 -60.8 -54.5 -51.2 3.1 -23.5 27 43 A G H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.906 110.8 55.5 -57.7 -46.1 -47.7 4.5 -23.5 28 44 A T H X S+ 0 0 40 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.919 113.4 41.3 -53.2 -48.5 -48.8 7.6 -21.5 29 45 A L H X S+ 0 0 68 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.925 113.6 51.6 -67.4 -45.9 -50.2 5.3 -18.8 30 46 A V H X S+ 0 0 2 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.856 110.2 51.9 -59.7 -36.8 -47.3 2.8 -18.9 31 47 A G H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.980 111.9 42.7 -62.7 -59.6 -44.9 5.8 -18.5 32 48 A L H X S+ 0 0 74 -4,-2.0 4,-3.1 1,-0.2 5,-0.2 0.881 115.1 52.9 -53.7 -42.5 -46.6 7.3 -15.4 33 49 A A H X S+ 0 0 23 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.940 111.0 45.1 -58.5 -50.9 -47.0 3.7 -14.0 34 50 A A H X S+ 0 0 9 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.883 114.2 50.1 -61.2 -41.6 -43.2 3.1 -14.5 35 51 A V H X S+ 0 0 8 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.954 111.8 46.9 -60.8 -52.2 -42.4 6.5 -13.0 36 52 A A H X S+ 0 0 48 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.892 113.5 49.5 -57.0 -42.9 -44.7 5.9 -9.9 37 53 A F H X S+ 0 0 2 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.912 110.4 50.5 -60.7 -45.2 -43.1 2.4 -9.5 38 54 A D H X S+ 0 0 32 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.869 109.8 49.9 -63.7 -40.0 -39.6 3.9 -9.7 39 55 A K H X S+ 0 0 86 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.909 109.2 53.0 -63.3 -44.4 -40.4 6.5 -7.1 40 56 A G H X S+ 0 0 18 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.924 107.7 48.8 -57.9 -50.7 -41.8 3.9 -4.8 41 57 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.910 114.6 46.4 -57.8 -45.5 -38.8 1.6 -4.9 42 58 A A H X S+ 0 0 52 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.946 110.5 52.9 -59.7 -50.5 -36.5 4.7 -4.2 43 59 A W H X S+ 0 0 153 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.838 112.7 44.6 -54.8 -38.7 -38.8 5.9 -1.4 44 60 A L H X S+ 0 0 31 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.853 110.9 51.0 -78.2 -38.0 -38.6 2.4 0.3 45 61 A Q H X S+ 0 0 60 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.809 110.3 54.0 -66.0 -29.6 -34.8 2.0 -0.1 46 62 A N H X S+ 0 0 97 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.910 106.1 49.4 -67.4 -47.0 -34.6 5.5 1.5 47 63 A Q H X S+ 0 0 92 -4,-1.6 4,-1.9 1,-0.2 3,-0.2 0.904 107.3 56.0 -60.0 -42.6 -36.7 4.5 4.5 48 64 A R H X S+ 0 0 35 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.850 108.2 47.7 -58.9 -37.1 -34.5 1.4 5.0 49 65 A M H X S+ 0 0 104 -4,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.775 107.6 57.1 -73.6 -28.6 -31.4 3.6 5.1 50 66 A G H X S+ 0 0 44 -4,-1.5 4,-1.4 -3,-0.2 -2,-0.2 0.858 105.9 49.4 -68.1 -38.1 -33.2 5.9 7.6 51 67 A A H X S+ 0 0 35 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.841 105.2 57.5 -69.5 -36.3 -33.7 3.0 10.0 52 68 A L H < S+ 0 0 16 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.764 106.5 50.2 -65.4 -27.0 -30.0 2.0 9.8 53 69 A V H >< S+ 0 0 111 -4,-0.9 3,-1.4 1,-0.2 -1,-0.2 0.861 104.5 56.8 -77.1 -38.4 -29.1 5.5 11.0 54 70 A H H 3< S+ 0 0 163 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.646 120.0 32.4 -64.9 -17.8 -31.5 5.3 13.9 55 71 A T T 3< S+ 0 0 17 -4,-0.7 -1,-0.3 2,-0.1 -2,-0.2 -0.182 78.6 128.1-131.2 39.5 -29.6 2.2 15.0 56 72 A A < + 0 0 68 -3,-1.4 -2,-0.1 1,-0.1 -3,-0.1 0.495 68.4 58.2 -77.8 -4.3 -26.1 3.0 13.8 57 73 A D S S+ 0 0 136 1,-0.2 2,-0.7 -4,-0.1 -1,-0.1 0.947 90.9 61.0 -88.8 -64.7 -24.6 2.3 17.2 58 74 A N > - 0 0 83 1,-0.2 4,-2.1 2,-0.1 5,-0.2 -0.582 68.9-159.9 -73.0 108.8 -25.3 -1.4 18.1 59 75 A Y H > S+ 0 0 138 -2,-0.7 4,-2.1 1,-0.2 5,-0.2 0.910 88.7 42.7 -62.0 -51.2 -23.7 -3.5 15.3 60 76 A P H > S+ 0 0 86 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.849 115.2 52.0 -62.2 -32.7 -25.7 -6.7 15.7 61 77 A L H > S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.827 108.7 51.1 -70.4 -33.1 -28.9 -4.6 16.2 62 78 A L H X S+ 0 0 11 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.894 109.4 49.2 -66.9 -44.5 -28.1 -2.8 12.9 63 79 A L H X S+ 0 0 45 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.733 110.1 54.7 -66.7 -23.8 -27.6 -6.1 11.1 64 80 A T H X S+ 0 0 64 -4,-1.0 4,-3.1 2,-0.2 -2,-0.2 0.946 107.1 46.0 -73.4 -52.8 -30.9 -7.2 12.5 65 81 A V H X S+ 0 0 29 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.650 110.5 56.8 -68.9 -16.3 -33.0 -4.2 11.2 66 82 A A H X S+ 0 0 3 -4,-1.0 4,-1.4 2,-0.1 -1,-0.2 0.933 113.6 38.2 -72.6 -51.6 -31.3 -4.7 7.8 67 83 A F H X S+ 0 0 74 -4,-1.5 4,-2.6 220,-0.2 -2,-0.2 0.943 117.7 49.1 -62.0 -52.8 -32.5 -8.3 7.6 68 84 A L H X S+ 0 0 90 -4,-3.1 4,-3.6 1,-0.2 5,-0.3 0.932 109.8 49.0 -58.0 -54.1 -35.9 -7.8 9.1 69 85 A C H X S+ 0 0 44 -4,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.869 116.1 44.6 -53.4 -41.6 -36.9 -4.7 7.0 70 86 A S H X S+ 0 0 0 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.847 115.4 48.0 -72.9 -36.3 -35.9 -6.6 3.8 71 87 A A H X S+ 0 0 6 -4,-2.6 4,-3.2 212,-0.2 5,-0.3 0.947 110.5 50.5 -65.7 -51.2 -37.6 -9.8 5.0 72 88 A V H X S+ 0 0 88 -4,-3.6 4,-1.7 1,-0.2 -2,-0.2 0.875 115.4 43.0 -56.0 -42.6 -40.9 -8.1 5.9 73 89 A L H X S+ 0 0 38 -4,-1.6 4,-1.3 -5,-0.3 -1,-0.2 0.824 114.6 49.7 -74.6 -35.0 -41.0 -6.3 2.5 74 90 A A H X S+ 0 0 1 -4,-1.7 4,-3.0 2,-0.2 3,-0.4 0.952 110.5 49.6 -66.5 -50.8 -40.0 -9.5 0.6 75 91 A M H X S+ 0 0 54 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.906 107.6 55.8 -53.4 -45.4 -42.6 -11.6 2.4 76 92 A F H X S+ 0 0 110 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.865 112.9 41.7 -52.9 -41.6 -45.2 -8.9 1.5 77 93 A G H X S+ 0 0 0 -4,-1.3 4,-1.2 -3,-0.4 -2,-0.2 0.950 113.9 49.4 -73.5 -52.3 -44.3 -9.3 -2.2 78 94 A Y H X S+ 0 0 4 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.851 113.6 48.8 -52.9 -41.9 -44.1 -13.1 -2.2 79 95 A F H X S+ 0 0 83 -4,-2.7 4,-2.7 -5,-0.3 5,-0.4 0.966 105.7 54.8 -63.7 -55.9 -47.4 -13.3 -0.5 80 96 A L H X>S+ 0 0 31 -4,-1.9 4,-0.7 -5,-0.2 5,-0.7 0.718 112.1 47.9 -50.9 -24.7 -49.2 -10.8 -2.8 81 97 A V H X5S+ 0 0 3 -4,-1.2 4,-1.1 3,-0.2 -1,-0.2 0.948 114.5 39.8 -82.0 -56.4 -48.0 -13.1 -5.7 82 98 A R H <5S+ 0 0 80 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.773 118.9 48.8 -66.5 -28.4 -49.1 -16.5 -4.4 83 99 A K H <5S+ 0 0 117 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.835 131.1 7.0 -81.8 -35.3 -52.4 -15.3 -2.9 84 100 A Y H <5S+ 0 0 110 -4,-0.7 -3,-0.2 -5,-0.4 -2,-0.2 0.773 131.4 20.6-120.6 -40.2 -53.7 -13.3 -5.9 85 101 A A ><< + 0 0 0 -4,-1.1 3,-1.2 -5,-0.7 -1,-0.2 -0.759 47.5 174.7-142.2 93.2 -51.7 -13.6 -9.1 86 102 A P G > S+ 0 0 61 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.833 80.9 66.1 -64.5 -34.2 -49.3 -16.7 -9.6 87 103 A E G 3 S+ 0 0 14 1,-0.3 8,-0.1 -6,-0.1 -5,-0.1 0.627 87.0 72.0 -63.4 -15.1 -48.5 -15.7 -13.2 88 104 A A G < S+ 0 0 0 -3,-1.2 -1,-0.3 -7,-0.2 2,-0.1 0.131 74.0 116.0 -91.2 20.1 -46.8 -12.5 -11.8 89 105 A G S < S- 0 0 19 -3,-1.2 247,-0.2 248,-0.1 246,-0.1 -0.459 73.4 -5.5 -82.7 162.2 -43.8 -14.5 -10.5 90 106 A G S S- 0 0 10 245,-0.8 248,-2.5 241,-0.2 243,-0.1 -0.212 124.6 -25.6 55.2-138.5 -40.3 -14.2 -11.8 91 107 A S - 0 0 4 246,-0.2 46,-0.2 42,-0.1 248,-0.2 0.999 63.2-149.3 -69.9 -72.4 -39.8 -11.8 -14.7 92 108 A G S > S+ 0 0 1 246,-0.1 4,-1.3 44,-0.1 5,-0.1 0.250 71.6 103.1 110.7 -8.1 -43.2 -11.9 -16.5 93 109 A I H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.894 80.9 52.0 -67.8 -41.3 -41.7 -11.3 -20.0 94 110 A P H > S+ 0 0 7 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.865 107.4 54.3 -63.4 -32.3 -42.2 -15.0 -20.8 95 111 A E H > S+ 0 0 24 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.843 109.2 46.6 -65.3 -36.6 -45.8 -14.6 -19.7 96 112 A I H X S+ 0 0 3 -4,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.849 108.3 56.4 -73.3 -36.5 -46.2 -11.7 -22.1 97 113 A E H >X S+ 0 0 11 -4,-2.4 4,-0.9 2,-0.2 3,-0.5 0.914 108.4 47.5 -57.4 -46.2 -44.6 -13.7 -24.9 98 114 A G H ><>S+ 0 0 0 -4,-1.9 5,-1.9 1,-0.2 3,-1.2 0.933 106.4 57.4 -59.1 -48.8 -47.2 -16.4 -24.3 99 115 A A H 3<5S+ 0 0 4 -4,-1.8 3,-0.4 1,-0.3 -1,-0.2 0.721 102.5 56.1 -55.6 -25.6 -50.0 -13.9 -24.4 100 116 A L H <<5S+ 0 0 5 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.771 107.2 47.4 -79.3 -27.7 -48.8 -12.8 -27.9 101 117 A E T <<5S- 0 0 15 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.329 118.9-113.4 -89.6 5.0 -49.2 -16.4 -29.2 102 118 A D T 5S+ 0 0 75 -3,-0.4 -3,-0.2 -4,-0.3 -2,-0.1 0.916 88.8 113.9 57.3 48.7 -52.6 -16.5 -27.6 103 119 A Q < + 0 0 34 -5,-1.9 -4,-0.2 1,-0.2 -5,-0.1 0.415 67.3 45.3-124.0 -6.7 -51.4 -19.2 -25.1 104 120 A R S S- 0 0 41 -6,-0.4 -1,-0.2 -8,-0.1 2,-0.2 -0.994 78.8-119.3-140.2 144.5 -51.6 -17.3 -21.8 105 121 A P - 0 0 68 0, 0.0 2,-0.7 0, 0.0 -6,-0.1 -0.539 13.2-139.2 -83.9 152.1 -54.3 -15.0 -20.3 106 122 A V - 0 0 11 -2,-0.2 2,-1.9 -7,-0.1 3,-0.2 -0.786 19.6-176.3-109.9 86.7 -53.7 -11.4 -19.4 107 123 A R >> + 0 0 68 -2,-0.7 4,-2.6 1,-0.2 3,-1.9 -0.469 12.6 165.3 -85.8 70.0 -55.5 -11.0 -16.0 108 124 A W H 3> + 0 0 58 -2,-1.9 4,-1.5 1,-0.3 -1,-0.2 0.837 69.4 64.4 -57.8 -39.1 -54.9 -7.2 -15.6 109 125 A W H 34 S+ 0 0 144 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.743 118.0 29.8 -54.6 -24.6 -57.5 -6.8 -12.8 110 126 A R H <> S+ 0 0 96 -3,-1.9 4,-1.6 2,-0.1 -2,-0.2 0.863 120.2 46.6 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-72.9 -48.1 -37.1 -4.3 -5.3 124 140 A G H 3< S+ 0 0 46 207,-0.2 4,-3.1 2,-0.1 5,-0.2 0.696 96.5 76.3 -91.9 -24.0 -37.3 -3.2 -13.1 132 148 A E H > S+ 0 0 1 2,-0.2 4,-3.6 1,-0.2 5,-0.4 0.907 88.8 56.7 -57.1 -50.8 -37.9 -4.5 -16.6 133 149 A G H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.950 115.5 37.2 -42.4 -67.8 -39.7 -7.7 -15.4 134 150 A P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.940 120.6 45.8 -48.7 -57.4 -42.3 -5.6 -13.5 135 151 A T H X S+ 0 0 6 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.800 112.6 49.6 -65.2 -33.1 -42.6 -2.7 -16.1 136 152 A V H X S+ 0 0 0 -4,-3.6 4,-2.4 -5,-0.2 -1,-0.2 0.961 117.5 39.2 -69.2 -52.5 -42.8 -5.0 -19.2 137 153 A Q H X S+ 0 0 2 -4,-2.0 4,-2.4 -5,-0.4 5,-0.2 0.939 118.3 48.7 -62.1 -48.7 -45.6 -7.2 -17.7 138 154 A I H X S+ 0 0 10 -4,-3.1 4,-2.0 -5,-0.3 -1,-0.2 0.930 111.9 51.1 -53.9 -46.3 -47.3 -4.2 -16.1 139 155 A G H X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.3 27,-0.3 0.871 108.5 50.4 -61.1 -42.5 -47.0 -2.4 -19.5 140 156 A G H X S+ 0 0 0 -4,-2.4 4,-1.3 25,-0.3 3,-0.3 0.932 110.6 49.0 -59.7 -49.7 -48.6 -5.3 -21.4 141 157 A N H X S+ 0 0 3 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.837 106.2 56.3 -59.9 -36.9 -51.5 -5.5 -19.0 142 158 A I H X S+ 0 0 15 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.867 107.0 51.4 -61.0 -36.5 -52.1 -1.8 -19.3 143 159 A G H < S+ 0 0 1 -4,-1.4 4,-0.5 -3,-0.3 -2,-0.2 0.767 112.5 44.8 -70.8 -28.5 -52.3 -2.4 -23.0 144 160 A R H X S+ 0 0 51 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.858 108.5 56.8 -80.1 -40.5 -54.9 -5.1 -22.4 145 161 A M H X S+ 0 0 33 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.907 108.8 46.2 -55.8 -45.8 -56.8 -3.0 -19.9 146 162 A V H X S+ 0 0 3 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.720 110.9 53.7 -72.5 -23.1 -57.3 -0.3 -22.5 147 163 A L H 4>S+ 0 0 11 -4,-0.5 5,-2.0 -3,-0.2 -2,-0.2 0.913 116.1 39.0 -70.6 -46.2 -58.3 -2.9 -25.0 148 164 A D H ><5S+ 0 0 23 -4,-2.8 3,-2.0 3,-0.2 -2,-0.2 0.983 115.9 48.8 -66.6 -60.7 -61.0 -4.2 -22.6 149 165 A I H 3<5S+ 0 0 108 -4,-3.2 -3,-0.2 1,-0.3 -1,-0.2 0.862 121.2 36.6 -47.8 -45.0 -62.2 -0.9 -21.2 150 166 A F T 3<5S- 0 0 112 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.373 106.0-132.6 -92.2 5.8 -62.6 0.6 -24.7 151 167 A R T < 5 - 0 0 201 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.917 32.6-174.3 35.8 71.1 -63.8 -2.7 -26.1 152 168 A L < - 0 0 44 -5,-2.0 2,-0.4 -6,-0.1 -1,-0.2 -0.748 10.2-144.6 -92.5 139.7 -61.6 -2.8 -29.2 153 169 A K + 0 0 207 -2,-0.4 4,-0.3 4,-0.0 2,-0.1 -0.833 45.9 54.7-112.1 142.0 -62.1 -5.6 -31.7 154 170 A G S > S- 0 0 39 -2,-0.4 4,-1.2 2,-0.1 5,-0.1 -0.324 75.4 -97.7 125.2 156.9 -59.6 -7.5 -33.9 155 171 A D H > S+ 0 0 88 2,-0.2 4,-1.7 3,-0.1 5,-0.3 0.780 120.5 56.2 -72.1 -31.8 -56.5 -9.6 -33.8 156 172 A E H > S+ 0 0 51 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.983 108.3 44.9 -62.3 -58.9 -54.4 -6.5 -34.8 157 173 A A H > S+ 0 0 3 -4,-0.3 4,-1.2 1,-0.2 5,-0.2 0.793 113.1 51.4 -58.0 -33.2 -55.7 -4.4 -31.8 158 174 A R H X S+ 0 0 48 -4,-1.2 4,-0.6 2,-0.1 -1,-0.2 0.893 119.9 33.2 -74.4 -40.0 -55.2 -7.3 -29.3 159 175 A H H X S+ 0 0 14 -4,-1.7 4,-1.8 -3,-0.2 -2,-0.2 0.891 119.4 50.0 -82.0 -43.4 -51.6 -8.0 -30.3 160 176 A T H X S+ 0 0 0 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H >X S+ 0 0 0 -4,-1.3 4,-0.9 -3,-0.4 3,-0.9 0.891 115.4 56.0 -70.4 -43.2 -38.9 -1.6 -21.2 171 187 A A H >X>S+ 0 0 0 -4,-3.2 5,-1.8 1,-0.3 4,-1.7 0.956 108.5 46.0 -51.2 -55.7 -38.3 1.9 -22.7 172 188 A A H 3<5S+ 0 0 5 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.567 106.4 62.7 -68.8 -8.3 -39.4 3.6 -19.5 173 189 A A H <45S+ 0 0 9 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.730 123.0 14.2 -85.9 -24.4 -37.3 1.2 -17.5 174 190 A F H <<5S- 0 0 7 -3,-1.3 48,-0.2 -4,-0.9 -2,-0.2 0.380 99.9-111.3-128.4 -1.5 -34.0 2.3 -19.0 175 191 A N T <5S+ 0 0 29 -4,-1.7 -3,-0.2 -5,-0.2 -4,-0.1 0.877 76.5 139.3 56.8 42.1 -34.8 5.6 -20.8 176 192 A A >< + 0 0 0 -5,-1.8 4,-1.9 -6,-0.3 -1,-0.2 -0.752 27.4 171.6-122.6 81.7 -34.2 3.5 -23.9 177 193 A P H > S+ 0 0 1 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.941 82.9 40.9 -52.6 -56.4 -36.7 4.3 -26.7 178 194 A L H > S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.866 111.2 56.5 -65.3 -38.8 -35.0 2.2 -29.4 179 195 A A H > S+ 0 0 0 215,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.872 106.8 51.6 -60.8 -38.9 -34.1 -0.7 -27.1 180 196 A G H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.960 113.6 41.9 -59.0 -55.3 -37.8 -1.0 -26.3 181 197 A I H X S+ 0 0 1 -4,-1.8 4,-1.9 1,-0.2 3,-0.3 0.910 116.1 48.5 -61.1 -47.5 -39.0 -1.1 -29.9 182 198 A L H < S+ 0 0 0 -4,-2.9 5,-0.3 1,-0.2 -1,-0.2 0.865 105.1 59.7 -61.3 -38.7 -36.1 -3.4 -31.0 183 199 A F H >X>S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 5,-1.2 0.867 107.4 46.1 -59.5 -40.6 -36.7 -5.8 -28.1 184 200 A I H 3<>S+ 0 0 1 -4,-1.4 5,-1.7 -3,-0.3 4,-0.2 0.958 113.6 47.1 -65.3 -51.6 -40.3 -6.4 -29.3 185 201 A I T 3<5S+ 0 0 11 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.093 123.9 33.2 -84.1 25.4 -39.3 -6.9 -33.0 186 202 A E T <45S+ 0 0 12 -3,-0.8 -1,-0.2 -5,-0.1 -2,-0.2 0.476 131.9 20.6-141.8 -39.4 -36.5 -9.3 -32.1 187 203 A E T <5S+ 0 0 0 -4,-2.3 -3,-0.2 -5,-0.3 4,-0.2 0.841 128.6 33.5 -99.9 -54.8 -37.5 -11.3 -29.0 188 204 A M T - 0 0 3 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.180 46.9-142.0 -14.4 108.1 -44.1 -14.5 -32.4 191 207 A C T 3 S+ 0 0 17 -3,-0.3 3,-0.1 1,-0.3 -2,-0.1 0.274 88.3 31.2 -87.9 10.7 -40.9 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125.8 38.3 -72.2 -45.0 -23.2 7.8 -63.3 567 139 B L H ><5S+ 0 0 11 -4,-3.2 3,-1.8 1,-0.2 -3,-0.2 0.940 115.5 52.1 -70.4 -49.2 -21.7 8.4 -59.8 568 140 B G H 3< S+ 0 0 55 207,-0.2 4,-3.0 2,-0.1 5,-0.2 0.668 96.9 76.5 -91.4 -22.8 -24.2 4.5 -53.4 576 148 B E H > S+ 0 0 1 2,-0.2 4,-3.7 1,-0.2 5,-0.4 0.908 88.4 56.5 -57.8 -52.1 -26.9 2.4 -51.6 577 149 B G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.951 115.9 36.7 -41.7 -68.7 -28.8 1.5 -54.8 578 150 B P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.936 120.5 46.7 -49.4 -56.2 -25.7 0.0 -56.4 579 151 B T H X S+ 0 0 6 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.826 113.5 47.1 -63.5 -36.5 -24.2 -1.5 -53.2 580 152 B V H X S+ 0 0 0 -4,-3.7 4,-2.5 -5,-0.2 -1,-0.2 0.957 117.5 41.4 -70.6 -50.7 -27.5 -3.1 -52.0 581 153 B Q H X S+ 0 0 2 -4,-2.1 4,-2.3 -5,-0.4 -2,-0.2 0.947 118.4 47.0 -58.7 -51.3 -28.4 -4.6 -55.4 582 154 B I H X S+ 0 0 12 -4,-3.1 4,-2.1 -5,-0.3 -2,-0.2 0.909 111.8 52.5 -55.7 -43.7 -24.7 -5.7 -55.9 583 155 B G H X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.3 27,-0.3 0.884 108.4 49.4 -61.2 -43.5 -24.7 -7.1 -52.4 584 156 B G H X S+ 0 0 0 -4,-2.5 4,-1.2 25,-0.3 3,-0.3 0.932 110.9 49.1 -60.2 -49.5 -27.8 -9.2 -52.9 585 157 B N H X S+ 0 0 4 -4,-2.3 4,-3.2 1,-0.2 -2,-0.2 0.839 106.3 56.5 -60.3 -36.6 -26.4 -10.6 -56.2 586 158 B I H X S+ 0 0 15 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.862 107.3 50.4 -59.7 -36.7 -23.1 -11.5 -54.4 587 159 B G H < S+ 0 0 1 -4,-1.4 4,-0.4 -3,-0.3 -2,-0.2 0.744 112.7 45.8 -73.1 -26.6 -25.3 -13.4 -52.0 588 160 B R H X S+ 0 0 64 -4,-1.2 4,-2.8 2,-0.2 3,-0.2 0.861 108.2 56.5 -78.6 -43.4 -27.0 -15.2 -54.9 589 161 B M H X S+ 0 0 35 -4,-3.2 4,-3.2 1,-0.2 5,-0.2 0.902 109.1 45.6 -54.7 -47.0 -23.7 -15.9 -56.6 590 162 B V H X S+ 0 0 7 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.709 110.7 54.7 -73.1 -22.1 -22.3 -17.7 -53.6 591 163 B L H 4>S+ 0 0 12 -4,-0.4 5,-2.1 -3,-0.2 4,-0.3 0.924 116.0 38.7 -68.8 -48.5 -25.6 -19.6 -53.3 592 164 B D H ><5S+ 0 0 56 -4,-2.8 3,-1.9 3,-0.2 -2,-0.2 0.982 116.2 48.2 -64.6 -61.8 -25.2 -20.7 -56.9 593 165 B I H 3<5S+ 0 0 104 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175 B H H X S+ 0 0 16 -4,-1.9 4,-1.7 -3,-0.2 -2,-0.2 0.880 119.8 50.7 -83.9 -41.3 -33.6 -15.8 -48.7 604 176 B T H X S+ 0 0 0 -4,-3.4 4,-2.7 -5,-0.3 3,-0.3 0.961 112.7 43.8 -61.9 -55.7 -31.1 -15.5 -45.9 605 177 B L H X S+ 0 0 0 -4,-1.2 4,-1.0 -5,-0.3 -1,-0.2 0.746 113.8 52.7 -64.3 -26.0 -27.9 -15.2 -48.1 606 178 B L H > S+ 0 0 3 -4,-0.5 4,-1.0 -5,-0.2 -1,-0.2 0.840 112.8 45.4 -74.0 -35.2 -29.8 -12.8 -50.4 607 179 B A H X S+ 0 0 0 -4,-1.7 4,-2.1 -3,-0.3 3,-0.3 0.930 107.7 53.3 -74.0 -50.2 -30.7 -10.6 -47.4 608 180 B T H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.3 5,-0.2 0.867 109.3 51.9 -56.8 -38.6 -27.3 -10.5 -45.6 609 181 B G H X S+ 0 0 0 -4,-1.0 4,-1.0 -5,-0.2 -25,-0.3 0.854 109.0 49.4 -63.6 -38.0 -25.7 -9.3 -48.9 610 182 B A H X S+ 0 0 0 -4,-1.0 4,-1.2 -3,-0.3 -2,-0.2 0.819 116.0 43.5 -71.3 -31.7 -28.3 -6.6 -49.2 611 183 B A H X S+ 0 0 0 -4,-2.1 4,-3.3 2,-0.2 3,-0.4 0.942 111.8 50.2 -77.8 -52.3 -27.7 -5.5 -45.6 612 184 B A H X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.760 109.3 58.2 -53.4 -26.0 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