==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 09-NOV-05 2EXW . COMPND 2 MOLECULE: H(+)/CL(-) EXCHANGE TRANSPORTER CLCA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.LOBET,R.DUTZLER . 1749 6 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1242 71.0 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 . 310 17.7 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 . 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 . 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 . 133 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 169 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 547 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 1.7 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 4 1 2 6 0 0 2 2 0 0 0 2 2 2 4 2 4 0 0 0 1 1 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 . 16 14 9 9 6 9 5 0 0 1 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 5 10 1 3 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 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 0 158 0, 0.0 4,-2.0 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 -47.6 57.4 -10.3 50.0 2 18 A R H 3> + 0 0 66 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.799 360.0 60.3 -63.2 -30.8 55.4 -7.5 51.7 3 19 A R H 34 S+ 0 0 161 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.819 105.7 49.0 -67.0 -27.2 58.7 -5.7 52.1 4 20 A Q H X> S+ 0 0 122 -3,-0.6 4,-2.3 2,-0.2 3,-1.6 0.943 106.6 54.1 -74.8 -49.0 58.9 -5.9 48.3 5 21 A L H 3X S+ 0 0 6 -4,-2.0 4,-3.5 1,-0.3 5,-0.2 0.915 103.8 54.9 -50.0 -51.8 55.4 -4.6 47.8 6 22 A I H 3X S+ 0 0 18 -4,-2.3 4,-1.1 1,-0.2 -1,-0.3 0.746 110.5 49.9 -54.8 -23.9 56.1 -1.5 49.9 7 23 A R H <4 S+ 0 0 163 -3,-1.6 4,-0.4 -4,-0.4 -2,-0.2 0.930 113.1 42.0 -79.9 -51.7 59.0 -1.0 47.5 8 24 A Q H >X S+ 0 0 58 -4,-2.3 3,-1.9 2,-0.2 4,-0.6 0.928 109.7 59.6 -62.2 -47.3 57.0 -1.4 44.3 9 25 A L H >< S+ 0 0 9 -4,-3.5 3,-2.1 1,-0.3 -1,-0.2 0.938 106.1 45.5 -46.4 -61.7 54.1 0.7 45.6 10 26 A L T 3< S+ 0 0 58 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.586 117.2 49.5 -60.9 -8.0 56.2 3.8 46.2 11 27 A E T <4 S+ 0 0 69 -3,-1.9 -1,-0.3 -4,-0.4 3,-0.3 0.373 84.1 124.7-111.3 1.1 57.7 3.1 42.8 12 28 A R << + 0 0 27 -3,-2.1 3,-0.1 -4,-0.6 -3,-0.0 -0.195 66.2 19.9 -64.7 155.1 54.5 2.7 40.8 13 29 A D S S+ 0 0 37 1,-0.1 2,-0.2 857,-0.1 -1,-0.2 0.935 78.8 133.0 48.3 61.2 53.6 4.7 37.7 14 30 A K + 0 0 117 -3,-0.3 -1,-0.1 852,-0.0 3,-0.0 -0.673 31.3 178.2-136.2 75.5 57.1 5.8 36.8 15 31 A T - 0 0 9 -2,-0.2 5,-0.1 1,-0.1 -3,-0.0 -0.683 40.1 -95.8 -89.0 134.7 57.4 5.1 33.1 16 32 A P >> - 0 0 59 0, 0.0 3,-2.2 0, 0.0 4,-1.6 -0.208 28.4-133.0 -47.2 116.8 60.7 6.0 31.2 17 33 A L H 3> S+ 0 0 105 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.797 106.9 60.4 -45.0 -31.7 60.2 9.4 29.6 18 34 A A H 3> S+ 0 0 54 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.858 101.8 50.2 -67.6 -35.0 61.6 7.8 26.5 19 35 A I H <> S+ 0 0 8 -3,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.885 111.9 49.5 -69.9 -36.6 58.8 5.3 26.3 20 36 A L H X S+ 0 0 8 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.918 107.5 52.0 -67.2 -46.2 56.3 8.0 26.7 21 37 A F H X S+ 0 0 128 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.721 111.4 48.9 -64.9 -20.3 57.8 10.3 24.0 22 38 A M H X S+ 0 0 18 -4,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.790 104.8 55.3 -89.0 -29.3 57.6 7.3 21.6 23 39 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.863 107.9 53.7 -67.1 -31.5 54.1 6.4 22.3 24 40 A A H X S+ 0 0 22 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.808 111.7 42.3 -70.8 -31.7 53.4 10.0 21.4 25 41 A V H X S+ 0 0 40 -4,-0.6 4,-1.5 2,-0.2 -2,-0.2 0.815 112.6 53.5 -84.5 -32.0 55.2 9.7 18.0 26 42 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 3,-0.3 0.964 109.8 48.8 -63.7 -51.4 53.6 6.3 17.3 27 43 A G H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.947 107.3 53.5 -52.4 -57.2 50.1 7.7 17.9 28 44 A T H X S+ 0 0 35 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.832 114.1 44.1 -48.6 -37.5 50.7 10.7 15.6 29 45 A L H X S+ 0 0 62 -4,-1.5 4,-3.0 -3,-0.3 -1,-0.2 0.909 112.1 49.2 -77.2 -43.3 51.7 8.3 12.9 30 46 A V H X S+ 0 0 2 -4,-2.9 4,-4.0 2,-0.2 5,-0.3 0.936 112.5 51.7 -59.6 -44.7 48.9 5.7 13.4 31 47 A G H X S+ 0 0 0 -4,-3.3 4,-2.5 -5,-0.2 5,-0.2 0.973 112.0 43.3 -54.3 -60.3 46.5 8.6 13.3 32 48 A L H X S+ 0 0 72 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.894 116.3 50.7 -52.7 -43.2 47.9 10.0 10.1 33 49 A A H X S+ 0 0 24 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.971 110.1 46.6 -61.5 -56.3 47.9 6.5 8.7 34 50 A A H X S+ 0 0 7 -4,-4.0 4,-2.4 1,-0.2 -1,-0.2 0.846 112.6 51.7 -56.0 -35.0 44.4 5.6 9.6 35 51 A V H X S+ 0 0 8 -4,-2.5 4,-3.1 -5,-0.3 -1,-0.2 0.980 112.3 45.8 -64.2 -53.4 43.2 9.0 8.2 36 52 A A H X S+ 0 0 47 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.908 113.2 48.7 -54.0 -49.0 45.0 8.3 5.0 37 53 A F H X S+ 0 0 1 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.917 112.6 49.1 -57.5 -46.3 43.7 4.7 4.8 38 54 A D H X S+ 0 0 31 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.936 110.8 49.9 -59.4 -50.5 40.2 6.0 5.5 39 55 A K H X S+ 0 0 83 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.957 110.8 49.7 -54.8 -54.1 40.5 8.7 2.8 40 56 A G H X S+ 0 0 19 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.879 107.1 53.6 -54.1 -44.0 41.7 6.2 0.2 41 57 A V H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 3,-0.3 0.963 112.0 45.9 -55.2 -53.3 38.9 3.7 0.8 42 58 A A H X S+ 0 0 45 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.903 107.9 55.3 -55.5 -50.3 36.3 6.4 0.3 43 59 A W H X S+ 0 0 155 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.875 111.1 47.3 -52.5 -39.9 38.0 7.7 -2.9 44 60 A L H X S+ 0 0 31 -4,-1.9 4,-1.1 -3,-0.3 -2,-0.2 0.926 109.7 48.7 -70.1 -46.6 37.8 4.2 -4.3 45 61 A Q H X S+ 0 0 62 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.875 115.1 50.3 -59.7 -35.3 34.2 3.5 -3.4 46 62 A N H >X S+ 0 0 97 -4,-2.5 3,-2.2 -5,-0.2 4,-2.1 0.961 101.6 56.8 -67.7 -54.7 33.5 6.8 -5.0 47 63 A Q H 3< S+ 0 0 83 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.727 105.0 57.3 -49.6 -22.1 35.4 6.2 -8.2 48 64 A R H >< S+ 0 0 36 -4,-1.1 3,-0.6 -3,-0.2 4,-0.5 0.772 102.7 51.2 -82.5 -25.5 33.1 3.3 -8.6 49 65 A M H XX S+ 0 0 96 -3,-2.2 3,-1.9 -4,-0.7 2,-1.7 0.932 104.3 57.5 -72.4 -46.8 30.0 5.5 -8.4 50 66 A G T 3< S+ 0 0 50 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 -0.094 106.5 52.9 -75.1 40.3 31.4 7.7 -11.1 51 67 A A T <4 S+ 0 0 24 -2,-1.7 -1,-0.3 -3,-0.6 -2,-0.2 0.321 105.3 49.3-143.4 -23.9 31.5 4.5 -13.1 52 68 A L T <4 S+ 0 0 21 -3,-1.9 3,-0.2 -4,-0.5 -2,-0.2 0.512 107.9 56.0 -95.5 -12.0 27.9 3.5 -12.7 53 69 A V S >< S+ 0 0 116 -4,-1.3 3,-0.8 1,-0.2 4,-0.2 0.780 100.5 61.7 -84.0 -30.8 27.0 7.0 -13.7 54 70 A H T 3 S+ 0 0 151 -5,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.474 118.1 24.7 -73.0 -4.6 29.0 6.3 -16.8 55 71 A T T 3 S+ 0 0 23 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.104 73.9 133.1-148.6 25.3 26.6 3.5 -17.8 56 72 A A < + 0 0 71 -3,-0.8 -2,-0.1 1,-0.2 6,-0.1 0.793 70.0 66.1 -48.4 -34.3 23.3 4.4 -16.1 57 73 A D S S+ 0 0 125 -4,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.972 94.3 51.0 -49.6 -85.8 21.7 3.6 -19.4 58 74 A N > - 0 0 71 1,-0.1 4,-0.6 2,-0.1 -1,-0.1 -0.424 68.0-162.5 -63.7 119.7 22.2 -0.1 -19.9 59 75 A Y H >> S+ 0 0 132 -2,-0.3 4,-3.0 2,-0.2 3,-0.8 0.981 87.8 42.5 -70.7 -61.9 21.2 -2.1 -16.8 60 76 A P H 3> S+ 0 0 84 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.904 116.6 49.3 -54.8 -38.6 23.0 -5.4 -17.4 61 77 A L H 3> S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.780 112.3 52.6 -68.0 -22.3 26.1 -3.5 -18.5 62 78 A L H X S+ 0 0 70 -4,-2.0 4,-3.1 -5,-0.3 3,-0.9 0.984 106.4 44.9 -65.3 -57.3 28.4 -5.9 -14.7 65 81 A V H 3X S+ 0 0 29 -4,-1.7 4,-1.3 1,-0.3 5,-0.2 0.813 108.0 58.3 -57.8 -31.6 30.6 -2.9 -14.0 66 82 A A H 3X S+ 0 0 2 -4,-1.6 4,-0.8 2,-0.2 -1,-0.3 0.869 115.8 38.4 -64.9 -33.6 29.4 -2.8 -10.4 67 83 A F H X S+ 0 0 76 -4,-3.0 4,-2.9 -5,-0.3 3,-0.7 0.981 99.5 49.9 -53.5 -68.1 46.8 -11.1 -4.1 80 96 A L H 3X S+ 0 0 32 -4,-1.4 4,-1.2 1,-0.3 -1,-0.2 0.807 115.8 47.1 -39.9 -37.8 49.0 -8.6 -2.1 81 97 A V H 3X S+ 0 0 2 -4,-1.4 4,-1.5 2,-0.2 -1,-0.3 0.877 114.4 43.2 -74.6 -41.8 48.1 -10.7 1.0 82 98 A R H << S+ 0 0 61 -4,-2.5 -2,-0.2 -3,-0.7 -3,-0.2 0.823 121.0 40.6 -73.9 -34.8 48.7 -14.2 -0.5 83 99 A K H < S+ 0 0 123 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.707 131.4 18.8 -89.5 -21.7 51.9 -13.2 -2.2 84 100 A Y H < S+ 0 0 103 -4,-1.2 -3,-0.2 -5,-0.5 -2,-0.2 0.478 130.6 8.3-131.2 1.3 53.5 -11.0 0.4 85 101 A A >X - 0 0 0 -4,-1.5 3,-2.9 -5,-0.1 4,-0.6 -0.054 47.1-169.4 177.2 71.0 52.1 -11.4 3.9 86 102 A P T 34 S+ 0 0 75 0, 0.0 -4,-0.1 0, 0.0 -5,-0.1 0.455 89.1 63.2 -47.6 -2.2 49.6 -14.3 4.8 87 103 A E T 34 S+ 0 0 19 1,-0.1 8,-0.2 -6,-0.1 -5,-0.1 0.734 84.6 70.7 -96.0 -28.6 48.9 -12.6 8.1 88 104 A A T <4 S+ 0 0 0 -3,-2.9 250,-0.3 -7,-0.2 -1,-0.1 0.822 85.9 88.1 -57.2 -31.3 47.5 -9.5 6.7 89 105 A G S < S+ 0 0 10 -4,-0.6 247,-0.2 -8,-0.2 249,-0.1 0.057 80.2 27.1 -57.1 179.1 44.5 -11.6 5.8 90 106 A G S S- 0 0 16 242,-0.2 248,-1.3 1,-0.1 249,-0.1 0.138 121.4 -44.1 53.1-178.4 41.7 -12.1 8.3 91 107 A S - 0 0 3 246,-0.2 46,-0.2 1,-0.1 248,-0.2 0.936 62.8-142.8 -44.9 -65.7 40.9 -9.5 10.9 92 108 A G S S+ 0 0 3 246,-0.1 4,-0.2 245,-0.1 -1,-0.1 0.223 77.0 99.6 113.8 -11.2 44.5 -8.8 11.9 93 109 A I S >> S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 3,-1.7 0.920 79.0 51.4 -72.5 -45.3 43.6 -8.4 15.5 94 110 A P H 3> S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.869 100.9 63.1 -61.1 -34.6 44.6 -11.9 16.6 95 111 A E H 3> S+ 0 0 24 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.646 108.0 43.9 -65.9 -11.9 48.0 -11.5 14.9 96 112 A I H <> S+ 0 0 3 -3,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.814 105.8 56.3 -99.0 -39.9 48.6 -8.7 17.4 97 113 A E H X S+ 0 0 13 -4,-1.9 4,-0.9 1,-0.2 3,-0.4 0.940 112.5 48.7 -54.2 -42.3 47.3 -10.4 20.5 98 114 A G H >X>S+ 0 0 0 -4,-2.4 3,-2.3 1,-0.2 5,-1.5 0.981 105.6 53.8 -58.8 -61.2 49.9 -13.0 19.5 99 115 A A H 3<5S+ 0 0 6 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.725 105.9 55.4 -47.6 -26.4 52.7 -10.5 19.0 100 116 A L H 3<5S+ 0 0 1 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.763 108.0 47.5 -78.6 -26.5 52.1 -9.2 22.5 101 117 A E H <<5S- 0 0 11 -3,-2.3 -2,-0.2 -4,-0.9 -1,-0.2 0.537 115.9-119.8 -86.4 -12.0 52.5 -12.7 23.9 102 118 A D T <5S+ 0 0 67 -4,-1.1 -3,-0.2 -5,-0.1 -2,-0.1 0.732 88.0 110.6 75.0 26.0 55.7 -13.0 21.8 103 119 A Q S > + 0 0 71 -2,-0.5 4,-3.2 1,-0.2 3,-1.7 -0.328 16.9 157.6 -69.7 63.5 56.8 -8.3 9.9 108 124 A W H 3> + 0 0 54 -2,-3.0 4,-1.7 1,-0.3 -1,-0.2 0.847 63.4 68.9 -61.9 -35.6 56.1 -4.5 9.4 109 125 A W H 34 S+ 0 0 140 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.723 121.4 22.0 -54.7 -16.1 58.6 -4.1 6.5 110 126 A R H <> S+ 0 0 93 -3,-1.7 4,-2.4 3,-0.1 -2,-0.2 0.765 120.6 53.6-113.0 -58.8 55.9 -6.3 4.8 111 127 A V H X>S+ 0 0 2 -4,-3.2 4,-2.1 2,-0.2 5,-0.5 0.772 100.2 62.7 -54.9 -34.7 52.6 -6.0 6.6 112 128 A L H X5S+ 0 0 27 -4,-1.7 4,-2.2 -5,-0.3 5,-0.2 0.997 113.4 31.2 -59.2 -66.8 52.4 -2.2 6.5 113 129 A P H >>S+ 0 0 66 0, 0.0 4,-1.7 0, 0.0 5,-0.5 0.933 125.4 47.8 -58.4 -42.6 52.3 -1.8 2.7 114 130 A V H X5S+ 0 0 7 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.989 113.4 42.5 -61.2 -64.8 50.4 -5.1 2.3 115 131 A K H X5S+ 0 0 0 -4,-2.1 4,-1.9 3,-0.2 -1,-0.2 0.872 118.9 50.0 -48.4 -41.7 47.7 -4.7 4.9 116 132 A F H >XS+ 0 0 0 -4,-1.9 4,-3.5 -3,-1.4 5,-0.7 0.868 103.3 64.4 -78.0 -39.4 42.6 -3.2 2.6 120 136 A L H X5S+ 0 0 23 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.914 107.3 48.2 -49.9 -41.1 42.0 -0.3 0.2 121 137 A G H X5S+ 0 0 2 -4,-1.3 4,-2.0 -5,-0.2 -1,-0.2 0.969 114.5 41.8 -63.5 -55.9 41.1 -2.9 -2.3 122 138 A T H <>S+ 0 0 0 -4,-1.5 5,-1.6 2,-0.2 -2,-0.2 0.830 126.5 33.5 -63.3 -35.7 38.8 -5.0 -0.1 123 139 A L H ><5S+ 0 0 11 -4,-3.5 3,-1.4 2,-0.2 -3,-0.2 0.854 115.5 55.8 -87.0 -40.3 37.0 -2.0 1.5 124 140 A G H 3< S+ 0 0 68 207,-0.2 4,-2.4 42,-0.1 5,-0.2 0.745 94.9 73.5 -94.7 -31.3 38.3 -0.7 9.3 132 148 A E H > S+ 0 0 0 2,-0.2 4,-4.7 3,-0.2 5,-0.5 0.951 90.8 60.5 -48.6 -58.0 39.7 -1.5 12.8 133 149 A G H > S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 3,-0.4 0.891 111.5 36.1 -33.8 -79.5 41.1 -4.8 11.6 134 150 A P H > S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.820 124.0 44.9 -48.6 -34.9 43.4 -3.2 9.0 135 151 A T H X S+ 0 0 4 -4,-2.4 4,-2.2 -3,-0.2 -2,-0.2 0.841 109.2 53.4 -81.2 -33.5 44.1 -0.2 11.3 136 152 A V H X S+ 0 0 0 -4,-4.7 4,-1.9 -3,-0.4 33,-0.2 0.894 117.8 39.0 -65.8 -39.6 44.6 -2.1 14.5 137 153 A Q H X S+ 0 0 3 -4,-2.2 4,-1.5 -5,-0.5 -2,-0.2 0.759 115.1 51.0 -81.4 -26.9 47.2 -4.3 12.7 138 154 A I H X S+ 0 0 10 -4,-1.2 4,-1.1 -5,-0.4 -2,-0.2 0.847 110.8 53.8 -75.2 -31.1 48.7 -1.3 10.8 139 155 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 3,-0.5 0.943 104.3 51.8 -64.9 -51.1 48.9 0.3 14.2 140 156 A G H >X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.3 3,-0.5 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0.834 107.8 54.5 -67.9 -34.3 30.2 25.3 36.4 753 325 B A T <5S- 0 0 60 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.719 115.3-121.6 -69.9 -22.4 27.4 27.7 35.6 754 326 B G T 5 + 0 0 29 -4,-0.4 -3,-0.2 -3,-0.3 -2,-0.1 0.692 65.9 142.4 87.8 20.2 29.8 30.4 36.5 755 327 B N < + 0 0 112 -5,-1.9 2,-0.4 -6,-0.2 -4,-0.1 0.089 50.8 84.1 -80.5 23.5 27.6 31.8 39.3 756 328 B F S S- 0 0 34 -5,-0.2 5,-0.0 -6,-0.1 0, 0.0 -0.996 80.2-120.6-130.5 132.3 30.7 32.6 41.4 757 329 B S > - 0 0 77 -2,-0.4 4,-1.4 1,-0.1 5,-0.1 -0.232 32.5-107.8 -64.1 157.3 32.9 35.6 41.3 758 330 B M H > S+ 0 0 76 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.667 123.9 47.2 -60.6 -15.4 36.6 35.1 40.5 759 331 B G H > S+ 0 0 46 2,-0.2 4,-2.5 3,-0.1 -1,-0.2 0.914 103.3 55.6 -88.4 -57.2 37.1 36.0 44.1 760 332 B M H > S+ 0 0 71 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.715 109.0 54.7 -47.6 -23.1 34.5 33.8 45.7 761 333 B L H X S+ 0 0 2 -4,-1.4 4,-3.4 2,-0.2 -1,-0.2 0.981 106.1 45.4 -74.8 -64.3 36.3 31.0 43.9 762 334 B V H X S+ 0 0 80 -4,-1.0 4,-2.0 2,-0.2 5,-0.3 0.841 114.4 52.6 -47.5 -39.7 39.8 31.5 45.2 763 335 B F H X S+ 0 0 109 -4,-2.5 4,-2.8 2,-0.2 5,-0.4 0.998 111.2 43.7 -59.4 -69.0 38.3 31.9 48.7 764 336 B I H X S+ 0 0 1 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.852 111.7 56.6 -43.6 -45.9 36.4 28.6 48.5 765 337 B F H X S+ 0 0 38 -4,-3.4 4,-2.9 2,-0.2 3,-0.3 0.977 113.7 35.9 -50.9 -67.7 39.4 26.9 47.1 766 338 B V H X S+ 0 0 77 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.894 116.1 53.5 -53.6 -48.7 41.8 27.7 49.9 767 339 B A H X S+ 0 0 18 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 0.891 114.9 44.3 -54.3 -39.7 39.1 27.4 52.6 768 340 B R H X S+ 0 0 1 -4,-2.5 4,-2.7 -5,-0.4 5,-0.3 0.910 102.7 59.6 -74.0 -44.7 38.4 24.0 51.3 769 341 B V H X S+ 0 0 14 -4,-2.9 4,-1.4 -5,-0.2 -1,-0.2 0.875 114.9 44.4 -51.0 -32.6 42.0 22.8 50.8 770 342 B I H >X S+ 0 0 91 -4,-1.8 4,-2.0 -5,-0.2 3,-0.6 0.988 112.1 45.6 -72.5 -73.0 42.0 23.5 54.5 771 343 B T H 3< S+ 0 0 6 -4,-2.7 -199,-0.4 1,-0.2 4,-0.3 0.678 113.3 55.8 -46.2 -20.1 38.7 21.9 55.6 772 344 B T H 3X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 3,-0.4 0.934 110.6 38.4 -81.7 -49.4 39.6 18.9 53.5 773 345 B L H S+ 0 0 10 -4,-1.4 4,-3.0 -3,-0.6 5,-0.7 0.980 112.0 58.8 -62.0 -55.8 43.0 18.0 55.0 774 346 B L H <5S+ 0 0 48 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.714 114.6 39.8 -43.8 -26.1 41.7 18.8 58.5 775 347 B C H 4>S+ 0 0 0 -3,-0.4 5,-1.1 -5,-0.4 -1,-0.3 0.798 122.1 36.2 -97.8 -35.6 39.1 16.2 57.9 776 348 B F H ><5S+ 0 0 0 -4,-2.3 3,-1.5 -3,-0.3 -2,-0.2 0.904 118.5 47.4 -85.3 -43.2 41.0 13.5 56.1 777 349 B S T 3<5S+ 0 0 5 -4,-3.0 -3,-0.2 1,-0.3 -1,-0.1 0.703 99.2 69.7 -70.0 -20.2 44.3 13.8 57.9 778 350 B S T 3 > S+ 0 0 3 2,-0.1 3,-1.3 3,-0.1 4,-1.0 0.967 81.5 37.5 -81.9 -68.5 37.6 11.2 46.8 786 358 B A H >> S+ 0 0 5 1,-0.3 4,-2.5 2,-0.2 3,-0.9 0.881 111.3 61.4 -53.3 -44.7 34.5 13.3 46.1 787 359 B P H 3> S+ 0 0 0 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.750 101.2 53.8 -58.1 -23.1 36.1 16.4 47.9 788 360 B M H <> S+ 0 0 1 -3,-1.3 4,-2.7 -4,-0.2 37,-0.3 0.784 107.3 51.9 -79.2 -27.6 38.8 16.3 45.3 789 361 B L H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 3,-0.9 0.973 105.5 48.0 -49.0 -68.5 38.0 29.0 32.7 801 373 B M H 3X S+ 0 0 38 -4,-2.5 4,-1.6 1,-0.3 5,-0.2 0.852 111.7 48.9 -41.2 -52.4 37.3 32.6 33.7 802 374 B V H 3X S+ 0 0 68 -4,-2.1 4,-1.8 1,-0.2 -1,-0.3 0.892 116.2 45.0 -58.7 -38.0 40.9 33.7 33.2 803 375 B A H <> + 0 0 41 -4,-2.0 3,-0.8 -5,-0.1 5,-0.6 -0.737 62.5 159.0-133.9 86.7 40.9 34.8 24.5 808 380 B P T 3 5S+ 0 0 36 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.744 74.9 64.9 -78.1 -22.5 37.5 36.3 23.5 809 381 B Q T 3 5S+ 0 0 31 1,-0.2 617,-0.7 -3,-0.1 -5,-0.1 0.399 93.2 60.5 -80.1 0.7 37.9 34.9 20.0 810 382 B Y T < 5S- 0 0 22 -3,-0.8 -1,-0.2 -6,-0.2 -6,-0.1 0.673 95.7-141.3 -95.8 -24.2 37.7 31.3 21.3 811 383 B H T 5 - 0 0 13 -3,-0.5 -2,-0.1 -4,-0.4 -7,-0.1 0.947 34.8-178.1 61.4 51.6 34.2 31.9 22.7 812 384 B L < - 0 0 14 -5,-0.6 2,-0.4 -8,-0.3 -1,-0.1 -0.227 24.7-147.4 -79.3 168.1 35.0 29.8 25.8 813 385 B E >> - 0 0 63 1,-0.1 3,-2.3 -140,-0.0 4,-0.7 -0.973 16.8-136.5-137.7 116.6 32.7 29.0 28.7 814 386 B A H >> S+ 0 0 14 -2,-0.4 3,-2.5 1,-0.3 4,-1.8 0.890 100.8 70.5 -39.3 -50.5 34.2 28.6 32.1 815 387 B G H 3> S+ 0 0 0 -63,-0.5 4,-2.4 1,-0.3 -1,-0.3 0.748 90.4 57.4 -38.4 -39.7 32.1 25.5 32.5 816 388 B T H <> S+ 0 0 2 -3,-2.3 4,-0.6 1,-0.2 -1,-0.3 0.801 110.1 43.7 -68.7 -27.1 34.0 23.5 30.0 817 389 B F H < S+ 0 0 0 -4,-1.5 3,-1.2 -3,-0.4 4,-0.4 0.424 90.4 94.3-105.0 -0.1 39.3 19.8 35.7 822 394 B M T 3< S+ 0 0 1 -4,-0.7 -30,-0.4 1,-0.3 -29,-0.4 0.825 102.0 30.0 -61.0 -30.6 36.6 18.2 37.8 823 395 B G T 3 S+ 0 0 12 -4,-0.4 4,-0.4 -3,-0.2 -1,-0.3 0.224 93.9 100.5-111.9 15.0 38.5 14.9 37.6 824 396 B A S <> S+ 0 0 1 -3,-1.2 4,-1.3 1,-0.2 -2,-0.1 0.681 80.4 51.4 -73.6 -19.9 41.9 16.5 37.3 825 397 B L H > S+ 0 0 2 -4,-0.4 4,-3.5 -37,-0.3 6,-0.4 0.914 102.6 57.0 -82.5 -44.1 42.8 15.9 41.0 826 398 B L H 4 S+ 0 0 1 1,-0.2 6,-1.6 -4,-0.2 -1,-0.2 0.712 110.6 51.5 -55.8 -14.9 41.8 12.3 40.9 827 399 B A H 4 S+ 0 0 0 -4,-0.4 -1,-0.2 4,-0.2 -2,-0.2 0.860 117.4 30.9 -90.9 -40.0 44.4 12.3 38.2 828 400 B A H < S+ 0 0 0 -4,-1.3 44,-0.2 -3,-0.3 -2,-0.2 0.758 129.2 36.4 -90.1 -28.2 47.4 14.0 39.9 829 401 B S S < S+ 0 0 0 -4,-3.5 43,-1.2 -5,-0.1 -3,-0.2 0.857 131.6 21.4 -83.9 -91.2 46.6 12.8 43.4 830 402 B I S S- 0 0 2 41,-0.2 -3,-0.1 -5,-0.2 -4,-0.1 0.574 97.6-140.8 -55.2 -8.3 45.3 9.2 43.3 831 403 B R + 0 0 6 -6,-0.4 -4,-0.2 1,-0.1 -1,-0.1 0.673 61.9 121.7 51.2 29.6 47.0 9.0 39.9 832 404 B A > + 0 0 1 -6,-1.6 4,-1.0 1,-0.2 -1,-0.1 -0.837 26.3 163.6-121.5 89.3 44.2 7.0 38.2 833 405 B P H > + 0 0 9 0, 0.0 4,-2.7 0, 0.0 5,-0.4 0.949 68.2 61.2 -70.2 -56.4 42.9 9.0 35.2 834 406 B L H > S+ 0 0 0 1,-0.3 4,-1.2 2,-0.2 5,-0.1 0.828 110.0 44.6 -44.3 -36.5 41.0 6.4 33.2 835 407 B T H > S+ 0 0 4 2,-0.2 4,-1.7 -209,-0.1 -1,-0.3 0.876 114.9 50.3 -77.4 -34.3 38.7 6.0 36.2 836 408 B G H X S+ 0 0 2 -4,-1.0 4,-2.6 -3,-0.4 3,-0.3 0.975 108.6 47.7 -65.2 -57.5 38.4 9.7 36.7 837 409 B I H X S+ 0 0 11 -4,-2.7 4,-2.0 1,-0.3 -1,-0.2 0.891 117.0 45.5 -52.3 -42.4 37.6 10.7 33.1 838 410 B I H X S+ 0 0 2 -4,-1.2 4,-1.0 -5,-0.4 -1,-0.3 0.817 109.5 54.1 -74.3 -27.1 34.9 8.0 33.1 839 411 B L H < S+ 0 0 1 -4,-1.7 4,-0.3 -3,-0.3 -2,-0.2 0.938 114.8 40.6 -70.4 -43.5 33.5 8.9 36.5 840 412 B V H >X>S+ 0 0 3 -4,-2.6 3,-4.6 2,-0.2 4,-2.9 0.995 112.3 52.7 -62.5 -67.6 33.0 12.5 35.5 841 413 B L H 3X5S+ 0 0 15 -4,-2.0 4,-0.9 1,-0.3 -1,-0.2 0.747 109.1 54.4 -38.3 -31.5 31.7 11.8 32.0 842 414 B E H 3<5S+ 0 0 9 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.571 117.4 33.2 -83.8 -13.2 29.2 9.4 33.8 843 415 B M H <45S+ 0 0 19 -3,-4.6 -176,-0.3 -4,-0.3 -2,-0.2 0.636 126.0 38.2-114.0 -27.2 27.9 12.2 36.1 844 416 B T H <5S- 0 0 6 -4,-2.9 -175,-0.2 -176,-0.1 -3,-0.2 0.639 86.3-151.5 -98.4 -20.3 28.2 15.2 33.9 845 417 B D << + 0 0 54 -4,-0.9 -3,-0.1 -5,-0.6 -4,-0.1 0.903 49.0 134.3 50.1 49.0 27.1 13.5 30.7 846 418 B N > + 0 0 0 1,-0.1 3,-2.9 -5,-0.1 4,-0.4 -0.368 17.9 163.4-123.4 55.4 29.1 15.9 28.5 847 419 B Y G > + 0 0 26 1,-0.3 3,-1.1 -6,-0.2 4,-0.3 0.672 66.2 73.6 -48.6 -20.6 30.8 13.5 26.1 848 420 B Q G 3 S+ 0 0 34 1,-0.2 -173,-0.4 2,-0.1 -1,-0.3 0.537 94.4 53.7 -74.8 -1.9 31.6 16.3 23.7 849 421 B L G <> S+ 0 0 1 -3,-2.9 4,-2.8 1,-0.1 5,-0.3 0.508 75.2 109.0-104.2 -9.6 34.3 17.4 26.1 850 422 B I H <> S+ 0 0 1 -3,-1.1 4,-2.1 -4,-0.4 5,-0.2 0.786 74.9 52.4 -36.7 -48.5 35.9 14.0 26.3 851 423 B L H > S+ 0 0 2 -4,-0.3 4,-2.5 1,-0.2 3,-0.3 0.965 114.0 41.0 -60.8 -53.6 39.0 15.1 24.3 852 424 B P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.934 111.0 59.6 -59.6 -40.5 39.7 18.1 26.5 853 425 B M H X S+ 0 0 6 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.876 111.4 39.8 -51.4 -43.7 38.9 16.0 29.6 854 426 B I H X S+ 0 0 0 -4,-2.1 4,-4.1 -3,-0.3 5,-0.4 0.943 113.1 53.7 -72.3 -49.6 41.6 13.5 28.7 855 427 B I H X S+ 0 0 16 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.792 114.6 42.9 -57.0 -32.2 44.2 16.1 27.6 856 428 B T H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.969 118.4 43.9 -75.2 -60.9 43.7 17.9 30.9 857 429 B G H X S+ 0 0 4 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.806 115.2 48.0 -52.3 -38.3 43.8 14.7 33.0 858 430 B L H X S+ 0 0 11 -4,-4.1 4,-1.9 1,-0.2 -1,-0.2 0.923 108.8 53.4 -71.2 -43.8 46.7 13.2 31.1 859 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48.3-109.6-123.2 151.0 26.7 52.4 -28.3 1741 198 F K T 3 S+ 0 0 141 -56,-0.6 -55,-0.1 -2,-0.3 -1,-0.1 0.741 113.1 65.2 -42.4 -32.4 30.0 50.9 -29.3 1742 199 F T T 3 S+ 0 0 51 -60,-0.1 2,-0.3 1,-0.1 -1,-0.3 0.810 110.7 28.4 -63.9 -33.7 28.1 48.2 -31.3 1743 200 F S < - 0 0 40 -3,-2.0 -3,-0.2 1,-0.1 4,-0.1 -0.945 54.2-157.3-132.1 148.5 26.6 50.6 -33.9 1744 201 F T S S+ 0 0 141 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.779 86.8 73.0 -89.5 -35.9 27.7 54.0 -35.3 1745 202 F S S S- 0 0 84 1,-0.1 -1,-0.2 -6,-0.0 -5,-0.1 -0.728 97.5-115.6 -84.7 96.8 24.2 54.9 -36.2 1746 203 F P - 0 0 55 0, 0.0 2,-0.6 0, 0.0 -7,-0.2 0.207 20.6-123.6 -29.8 144.9 22.3 55.7 -33.0 1747 204 F I E -U 1738 0b 55 -9,-3.2 -9,-3.2 -4,-0.1 2,-0.3 -0.900 37.4-168.5 -98.2 122.0 19.4 53.4 -32.0 1748 205 F V E -U 1737 0b 75 -2,-0.6 2,-0.3 -11,-0.2 -11,-0.3 -0.846 16.8-176.7-118.0 151.5 16.3 55.6 -31.7 1749 206 F K E +U 1736 0b 100 -13,-3.8 -13,-3.1 -2,-0.3 2,-0.3 -0.882 13.4 159.6-151.6 118.1 12.8 55.0 -30.3 1750 207 F S E -U 1735 0b 58 -2,-0.3 2,-0.3 -15,-0.3 -15,-0.3 -0.897 18.1-174.0-136.5 163.6 9.8 57.4 -30.2 1751 208 F F E -U 1734 0b 19 -17,-2.0 -17,-1.7 -2,-0.3 2,-0.4 -0.866 19.3-139.6-142.0 167.2 6.1 57.6 -29.9 1752 209 F N E -U 1733 0b 72 -2,-0.3 -19,-0.2 -19,-0.2 -296,-0.1 -1.000 17.2-125.6-141.3 139.0 3.8 60.7 -30.3 1753 210 F R 0 0 83 -21,-0.9 -1,-0.2 -2,-0.4 -21,-0.1 0.912 360.0 360.0 -42.1 -64.8 0.7 61.8 -28.3 1754 211 F A 0 0 132 -3,-0.1 -1,-0.2 0, 0.0 -22,-0.0 -0.512 360.0 360.0 -64.3 360.0 -1.6 62.0 -31.3