==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 05-MAY-13 4KK5 . COMPND 2 MOLECULE: H(+)/CL(-) EXCHANGE TRANSPORTER CLCA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.-H.LIM,C.MILLER . 1749 6 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1286 73.5 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 . 342 19.6 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 . 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 . 148 8.5 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 . 576 32.9 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 2 2 4 0 3 3 2 0 2 1 0 1 0 4 2 4 4 2 0 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 . 9 5 12 4 10 15 3 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 9 1 0 2 0 0 0 0 0 0 1 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 0 130 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -0.2 49.2 -13.2 55.7 2 18 A R H > + 0 0 86 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.855 360.0 53.3 -68.4 -36.2 47.3 -10.5 57.6 3 19 A R H > S+ 0 0 169 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.772 107.5 50.5 -72.9 -27.4 50.6 -8.7 58.0 4 20 A Q H > S+ 0 0 112 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.908 106.6 54.1 -74.0 -43.8 51.2 -8.8 54.2 5 21 A L H X S+ 0 0 0 -4,-1.7 4,-3.6 1,-0.2 5,-0.2 0.871 105.9 53.2 -58.9 -39.0 47.8 -7.5 53.4 6 22 A I H X S+ 0 0 18 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.897 111.8 45.4 -62.7 -41.0 48.5 -4.5 55.7 7 23 A R H X S+ 0 0 164 -4,-1.2 4,-0.9 2,-0.2 -2,-0.2 0.936 116.7 45.9 -64.1 -46.8 51.6 -3.9 53.7 8 24 A Q H >< S+ 0 0 47 -4,-3.3 3,-0.5 2,-0.2 -2,-0.2 0.901 110.3 52.1 -64.9 -44.2 49.8 -4.4 50.4 9 25 A L H >< S+ 0 0 8 -4,-3.6 3,-1.6 1,-0.2 -1,-0.2 0.933 109.4 49.5 -58.6 -46.9 46.8 -2.2 51.4 10 26 A L H 3< S+ 0 0 56 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.704 114.6 46.3 -67.8 -19.5 49.0 0.7 52.3 11 27 A E T << S+ 0 0 72 -4,-0.9 3,-0.4 -3,-0.5 -1,-0.3 0.007 85.7 133.8-109.5 25.3 50.9 0.4 49.0 12 28 A R < + 0 0 13 -3,-1.6 -3,-0.1 1,-0.2 624,-0.0 -0.546 65.1 11.0 -82.5 142.6 47.8 0.1 46.9 13 29 A D S S+ 0 0 44 -2,-0.2 -1,-0.2 1,-0.1 -4,-0.0 0.971 76.1 136.0 57.1 62.6 47.4 2.0 43.6 14 30 A K - 0 0 105 -3,-0.4 -1,-0.1 852,-0.0 3,-0.1 -0.474 33.5-171.9-131.7 62.9 50.9 3.4 43.2 15 31 A T - 0 0 6 1,-0.1 5,-0.1 2,-0.1 -3,-0.0 -0.352 36.3 -99.3 -60.1 128.1 51.5 2.8 39.5 16 32 A P >> - 0 0 56 0, 0.0 4,-1.7 0, 0.0 3,-1.3 -0.276 26.6-129.6 -51.3 125.6 55.1 3.5 38.5 17 33 A L H 3> S+ 0 0 111 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.749 107.1 61.4 -52.3 -29.7 55.3 7.0 36.9 18 34 A A H 3> S+ 0 0 52 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.918 105.8 45.7 -63.0 -42.9 57.2 5.5 33.9 19 35 A I H <> S+ 0 0 8 -3,-1.3 4,-1.6 1,-0.2 -2,-0.2 0.903 110.6 53.2 -68.9 -41.0 54.2 3.3 33.1 20 36 A L H X S+ 0 0 7 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.905 111.1 45.7 -60.1 -45.0 51.7 6.1 33.5 21 37 A F H X S+ 0 0 127 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.898 112.2 50.6 -67.0 -42.2 53.5 8.4 31.1 22 38 A M H X S+ 0 0 18 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.761 104.2 59.4 -68.7 -24.4 54.0 5.6 28.5 23 39 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.884 102.9 52.3 -67.9 -37.4 50.3 4.8 28.8 24 40 A A H X S+ 0 0 22 -4,-1.3 4,-1.5 -3,-0.2 -2,-0.2 0.808 111.8 47.0 -66.8 -29.9 49.7 8.4 27.6 25 41 A V H X S+ 0 0 36 -4,-1.2 4,-2.5 2,-0.2 5,-0.2 0.933 110.4 50.3 -76.4 -48.6 52.0 7.8 24.7 26 42 A V H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.932 112.3 48.4 -53.3 -49.6 50.5 4.5 23.7 27 43 A G H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.924 109.8 51.4 -58.6 -47.3 47.0 6.0 23.8 28 44 A T H X S+ 0 0 36 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.908 115.1 42.3 -58.9 -44.2 48.0 9.0 21.7 29 45 A L H X S+ 0 0 65 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.944 114.5 49.2 -68.7 -48.8 49.5 6.8 19.0 30 46 A V H X S+ 0 0 1 -4,-3.1 4,-2.9 -5,-0.2 -2,-0.2 0.889 111.3 53.0 -57.6 -38.8 46.8 4.2 19.0 31 47 A G H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.976 111.4 42.3 -59.2 -59.3 44.3 7.0 18.7 32 48 A L H X S+ 0 0 71 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.879 115.9 51.3 -55.7 -41.3 45.9 8.6 15.7 33 49 A A H X S+ 0 0 21 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.934 110.7 46.8 -62.7 -46.5 46.4 5.2 14.2 34 50 A A H X S+ 0 0 6 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.836 113.7 49.9 -65.9 -32.6 42.8 4.3 14.7 35 51 A V H X S+ 0 0 6 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.939 110.9 47.8 -68.7 -48.1 41.8 7.6 13.3 36 52 A A H X S+ 0 0 45 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.871 110.9 52.5 -61.4 -38.6 44.0 7.2 10.2 37 53 A F H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.929 110.4 47.5 -61.3 -45.5 42.6 3.7 9.7 38 54 A D H X S+ 0 0 23 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.888 111.5 50.3 -64.9 -40.7 39.1 5.1 9.8 39 55 A K H X S+ 0 0 90 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.862 111.9 49.6 -63.9 -36.3 39.9 7.8 7.4 40 56 A G H X S+ 0 0 16 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.923 109.1 49.1 -69.8 -46.6 41.5 5.3 5.1 41 57 A V H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.898 112.3 50.0 -59.9 -41.5 38.5 2.9 5.1 42 58 A A H X S+ 0 0 47 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.926 108.5 52.3 -63.0 -45.9 36.1 5.7 4.4 43 59 A W H X S+ 0 0 143 -4,-1.9 4,-2.3 1,-0.2 3,-0.3 0.923 109.4 47.6 -58.4 -50.0 38.2 7.0 1.5 44 60 A L H X S+ 0 0 31 -4,-2.1 4,-2.3 1,-0.3 -1,-0.2 0.868 110.5 52.1 -61.7 -38.7 38.4 3.7 -0.3 45 61 A Q H X S+ 0 0 56 -4,-1.7 4,-1.0 1,-0.2 -1,-0.3 0.803 111.7 48.6 -67.5 -28.4 34.7 3.1 0.1 46 62 A N H X S+ 0 0 95 -4,-1.6 4,-1.8 -3,-0.3 -2,-0.2 0.834 108.3 52.4 -79.2 -34.2 34.1 6.6 -1.4 47 63 A Q H X S+ 0 0 82 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.924 108.0 51.5 -65.7 -44.6 36.5 5.9 -4.3 48 64 A R H X S+ 0 0 39 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.867 108.9 52.4 -58.0 -37.5 34.6 2.7 -5.2 49 65 A M H < S+ 0 0 134 -4,-1.0 4,-0.3 1,-0.2 -1,-0.2 0.879 107.1 51.0 -68.4 -38.3 31.4 4.7 -5.1 50 66 A G H < S+ 0 0 41 -4,-1.8 3,-0.5 1,-0.2 4,-0.4 0.779 106.9 56.4 -68.8 -25.5 32.8 7.3 -7.5 51 67 A A H >X S+ 0 0 27 -4,-1.5 3,-1.0 1,-0.2 4,-0.6 0.871 100.3 56.1 -73.4 -38.6 33.8 4.4 -9.8 52 68 A L T 3< S+ 0 0 22 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.551 105.3 54.7 -68.5 -10.4 30.2 3.1 -10.0 53 69 A V T 34 S+ 0 0 105 -3,-0.5 3,-0.4 -4,-0.3 -1,-0.3 0.525 96.7 63.0-103.1 -10.3 29.2 6.6 -11.2 54 70 A H T <4 S+ 0 0 174 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.1 0.628 121.1 25.5 -77.4 -17.2 31.8 6.4 -14.0 55 71 A T S < S+ 0 0 22 -4,-0.6 7,-0.3 2,-0.1 -1,-0.2 -0.057 79.9 136.2-134.0 31.5 29.7 3.5 -15.3 56 72 A A S S+ 0 0 67 -3,-0.4 3,-0.1 1,-0.2 -3,-0.1 0.458 71.4 52.4 -67.6 2.3 26.3 4.3 -13.8 57 73 A D S S+ 0 0 132 1,-0.2 2,-0.9 -3,-0.1 -1,-0.2 0.874 92.1 63.9 -97.1 -72.7 24.6 3.4 -17.1 58 74 A N > - 0 0 82 1,-0.2 4,-3.0 2,-0.1 5,-0.2 -0.420 69.3-165.7 -58.6 98.3 25.7 -0.1 -18.2 59 75 A Y H > S+ 0 0 121 -2,-0.9 4,-2.9 1,-0.2 5,-0.2 0.912 83.7 47.3 -59.9 -47.8 24.2 -2.0 -15.3 60 76 A P H 4 S+ 0 0 87 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.846 116.0 46.7 -64.9 -30.1 26.1 -5.3 -15.9 61 77 A L H >> S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 3,-0.7 0.909 114.1 46.8 -72.2 -43.6 29.3 -3.3 -16.2 62 78 A L H 3X S+ 0 0 4 -4,-3.0 4,-0.8 -7,-0.3 -3,-0.2 0.844 109.1 55.4 -66.2 -32.6 28.5 -1.3 -13.1 63 79 A L H 3X S+ 0 0 41 -4,-2.9 4,-0.9 -5,-0.2 -1,-0.3 0.719 111.4 47.4 -67.9 -20.1 27.7 -4.6 -11.4 64 80 A T H <> S+ 0 0 67 -3,-0.7 4,-3.4 -4,-0.5 5,-0.2 0.927 107.2 48.9 -87.9 -52.3 31.2 -5.8 -12.4 65 81 A V H X S+ 0 0 31 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.632 109.8 57.0 -68.0 -11.6 33.4 -2.9 -11.4 66 82 A A H X S+ 0 0 3 -4,-0.8 4,-1.4 -5,-0.3 -1,-0.2 0.917 112.3 40.1 -76.2 -49.7 31.6 -3.0 -8.1 67 83 A F H X S+ 0 0 72 -4,-0.9 4,-3.0 2,-0.2 3,-0.3 0.954 117.8 47.8 -59.3 -54.9 32.6 -6.6 -7.6 68 84 A L H X S+ 0 0 91 -4,-3.4 4,-3.2 1,-0.2 5,-0.3 0.907 107.4 54.3 -58.3 -47.9 36.1 -6.2 -9.0 69 85 A C H X S+ 0 0 43 -4,-1.1 4,-1.4 1,-0.2 -1,-0.2 0.870 117.4 37.7 -56.3 -39.4 37.0 -3.1 -7.0 70 86 A S H X S+ 0 0 0 -4,-1.4 4,-2.3 -3,-0.3 -1,-0.2 0.835 114.1 56.8 -80.3 -34.3 36.1 -4.9 -3.8 71 87 A A H X S+ 0 0 8 -4,-3.0 4,-2.7 212,-0.2 -2,-0.2 0.948 109.8 44.0 -60.1 -51.3 37.6 -8.2 -5.0 72 88 A V H X S+ 0 0 84 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.936 113.9 50.0 -60.2 -49.3 41.0 -6.7 -5.7 73 89 A L H X S+ 0 0 35 -4,-1.4 4,-1.1 -5,-0.3 -1,-0.2 0.859 112.2 48.5 -59.1 -38.1 41.0 -4.8 -2.4 74 90 A A H >X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 3,-0.6 0.948 109.7 51.2 -66.7 -49.7 40.0 -8.0 -0.5 75 91 A M H 3X S+ 0 0 58 -4,-2.7 4,-2.6 1,-0.3 -2,-0.2 0.897 108.1 52.8 -53.5 -44.9 42.7 -10.0 -2.2 76 92 A F H 3X S+ 0 0 97 -4,-2.5 4,-1.7 2,-0.2 -1,-0.3 0.814 112.0 46.8 -60.8 -32.1 45.3 -7.4 -1.3 77 93 A G H < + 0 0 0 -4,-1.3 3,-1.7 -5,-0.5 -1,-0.2 -0.505 48.5 178.0-163.3 86.9 51.5 -11.9 9.3 86 102 A P G > S+ 0 0 63 0, 0.0 3,-0.8 0, 0.0 -4,-0.1 0.676 85.5 65.4 -64.0 -17.6 49.1 -14.9 9.5 87 103 A E G 3 S+ 0 0 10 1,-0.2 8,-0.2 -6,-0.1 -5,-0.1 0.653 87.5 67.9 -79.6 -18.0 48.2 -13.7 13.0 88 104 A A G < S+ 0 0 0 -3,-1.7 -1,-0.2 -7,-0.2 2,-0.1 0.431 80.6 100.6 -83.8 0.3 46.7 -10.5 11.7 89 105 A G S < S+ 0 0 18 -3,-0.8 247,-0.2 -8,-0.1 3,-0.1 -0.440 76.3 15.7 -77.3 161.4 43.9 -12.5 10.2 90 106 A G S S- 0 0 11 245,-0.6 248,-1.5 246,-0.5 243,-0.1 -0.238 121.9 -35.4 71.1-163.0 40.5 -12.6 11.9 91 107 A S - 0 0 3 246,-0.2 46,-0.3 1,-0.1 -1,-0.2 0.980 62.5-146.1 -58.8 -63.0 39.5 -10.2 14.7 92 108 A G S > S+ 0 0 4 246,-0.1 4,-2.2 44,-0.1 5,-0.2 -0.012 78.5 95.4 112.8 -25.4 42.9 -9.8 16.4 93 109 A I H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.901 80.7 54.2 -61.4 -41.9 41.4 -9.5 19.8 94 110 A P H > S+ 0 0 10 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.874 109.4 49.8 -60.8 -31.4 41.9 -13.2 20.4 95 111 A E H > S+ 0 0 22 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.914 110.2 47.2 -72.5 -44.1 45.6 -12.8 19.6 96 112 A I H X S+ 0 0 2 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.827 110.5 55.3 -65.6 -31.1 46.0 -9.8 21.9 97 113 A E H X S+ 0 0 7 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.870 108.1 47.7 -65.6 -37.4 44.2 -11.8 24.5 98 114 A G H <>S+ 0 0 0 -4,-1.5 5,-2.8 1,-0.2 6,-0.9 0.816 106.9 57.5 -72.1 -31.0 46.8 -14.5 24.0 99 115 A A H ><5S+ 0 0 5 -4,-1.9 3,-1.3 4,-0.2 -1,-0.2 0.842 101.9 55.0 -67.0 -32.9 49.5 -11.9 24.3 100 116 A L H 3<5S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.708 106.4 50.8 -75.8 -19.4 48.3 -11.0 27.7 101 117 A E T 3<5S- 0 0 15 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.291 114.8-121.7 -93.4 7.2 48.6 -14.6 28.8 102 118 A D T < 5S+ 0 0 69 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.854 87.5 109.6 53.6 38.0 52.1 -14.5 27.4 103 119 A Q < + 0 0 56 -5,-2.8 -4,-0.2 1,-0.2 -1,-0.1 0.398 68.3 49.6-121.6 -4.2 51.1 -17.3 25.2 104 120 A R S S- 0 0 41 -6,-0.9 -1,-0.2 -9,-0.1 -2,-0.2 -0.997 84.1-118.1-138.4 135.7 51.1 -15.5 21.8 105 121 A P - 0 0 65 0, 0.0 2,-0.5 0, 0.0 -6,-0.1 -0.251 11.5-138.2 -72.3 158.4 53.8 -13.3 20.4 106 122 A V - 0 0 16 -7,-0.1 2,-2.3 35,-0.0 3,-0.2 -0.643 22.4-179.7-117.7 70.1 53.3 -9.6 19.6 107 123 A R >> + 0 0 70 -2,-0.5 4,-2.9 1,-0.2 3,-1.2 -0.435 11.0 164.9 -76.0 77.1 55.1 -9.2 16.3 108 124 A W H 3> + 0 0 58 -2,-2.3 4,-1.6 1,-0.3 -1,-0.2 0.826 67.0 65.0 -66.7 -33.5 54.4 -5.5 15.9 109 125 A W H 34 S+ 0 0 140 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.752 118.2 28.1 -60.4 -22.4 57.0 -4.9 13.2 110 126 A R H <> S+ 0 0 96 -3,-1.2 4,-2.0 2,-0.1 -2,-0.2 0.828 122.0 46.0-103.4 -48.3 54.9 -7.2 11.0 111 127 A V H X>S+ 0 0 0 -4,-2.9 4,-4.5 1,-0.2 5,-0.6 0.892 101.2 66.2 -70.5 -40.3 51.3 -6.9 12.2 112 128 A L H X5S+ 0 0 32 -4,-1.6 4,-1.4 -5,-0.3 5,-0.2 0.910 114.1 30.0 -48.2 -52.8 51.2 -3.1 12.4 113 129 A P H >5S+ 0 0 57 0, 0.0 4,-2.2 0, 0.0 5,-0.4 0.891 123.3 50.8 -76.9 -33.7 51.6 -2.7 8.7 114 130 A V H X5S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.945 115.3 40.0 -66.3 -48.1 49.8 -5.9 7.8 115 131 A K H X5S+ 0 0 0 -4,-4.5 4,-2.9 3,-0.2 5,-0.4 0.934 117.8 49.1 -66.9 -46.7 46.7 -5.3 10.0 116 132 A F H XS+ 0 0 0 -4,-2.9 4,-3.5 -5,-0.3 5,-0.7 0.867 107.8 64.7 -69.1 -35.9 42.1 -4.3 7.2 120 136 A L H X5S+ 0 0 23 -4,-1.9 4,-0.8 -5,-0.4 -1,-0.2 0.791 107.1 44.1 -55.4 -29.3 42.2 -1.2 5.1 121 137 A G H X5S+ 0 0 2 -4,-0.8 4,-1.1 -3,-0.4 -2,-0.2 0.923 118.5 39.4 -82.3 -49.5 41.5 -3.5 2.1 122 138 A T H <>S+ 0 0 0 -4,-1.9 5,-2.0 2,-0.2 4,-0.4 0.957 124.3 38.9 -66.0 -51.4 38.9 -5.7 3.6 123 139 A L H ><5S+ 0 0 6 -4,-3.5 3,-1.5 214,-0.3 -3,-0.2 0.929 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0.896 109.0 51.8 -63.5 -39.7 13.1 -6.4 5.4 317 333 A L H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.920 110.3 47.7 -62.0 -45.3 14.4 -7.1 8.9 318 334 A V H X S+ 0 0 83 -4,-1.9 4,-2.1 2,-0.2 5,-0.3 0.913 114.9 47.3 -60.1 -43.4 14.1 -10.8 8.3 319 335 A F H X S+ 0 0 98 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.973 113.3 46.7 -60.3 -55.7 15.9 -10.3 5.0 320 336 A I H X S+ 0 0 0 -4,-3.7 4,-1.4 2,-0.2 -2,-0.2 0.876 114.0 49.4 -56.9 -40.4 18.6 -8.1 6.5 321 337 A F H >X S+ 0 0 32 -4,-2.8 4,-2.6 -5,-0.2 3,-0.7 0.992 115.5 38.9 -63.6 -64.1 19.2 -10.5 9.4 322 338 A V H 3X S+ 0 0 82 -4,-2.1 4,-2.0 1,-0.3 -2,-0.2 0.900 117.8 50.9 -51.3 -46.5 19.5 -13.7 7.5 323 339 A A H 3X S+ 0 0 17 -4,-2.9 4,-1.7 -5,-0.3 -1,-0.3 0.767 113.7 45.1 -67.0 -25.5 21.5 -12.0 4.7 324 340 A R H S+ 0 0 0 -4,-0.5 5,-0.8 -3,-0.3 4,-0.3 0.852 124.2 32.6 -91.2 -38.0 33.7 -12.4 6.0 332 348 A F H ><5S+ 0 0 1 -4,-2.8 3,-1.4 2,-0.2 -3,-0.2 0.914 117.8 49.8 -86.7 -46.2 35.0 -13.2 9.4 333 349 A S T 3<5S+ 0 0 6 -4,-2.1 -3,-0.2 -5,-0.4 -1,-0.1 0.711 98.4 70.5 -67.3 -19.3 35.3 -17.0 9.2 334 350 A S T 3 5S- 0 0 2 -5,-0.5 -1,-0.3 -4,-0.2 -2,-0.2 0.789 115.3-112.5 -67.4 -27.4 37.3 -16.6 6.0 335 351 A G T < 5 + 0 0 18 -3,-1.4 -245,-0.6 -4,-0.3 -2,-0.1 0.522 60.2 158.0 106.4 9.9 40.1 -15.1 8.0 336 352 A A < - 0 0 0 -5,-0.8 2,-0.8 -247,-0.2 -246,-0.5 -0.349 54.8 -99.4 -62.6 143.9 39.9 -11.6 6.6 337 353 A P S S+ 0 0 0 0, 0.0 -214,-0.3 0, 0.0 2,-0.2 -0.576 84.1 92.6 -67.2 107.7 41.5 -9.0 8.8 338 354 A G S S- 0 0 0 -248,-1.5 -207,-0.2 -2,-0.8 -3,-0.1 -0.713 70.3-100.8 167.1 141.7 38.5 -7.4 10.6 339 355 A G B -A 130 0A 0 -209,-1.8 -209,-1.9 -2,-0.2 -249,-0.1 -0.202 6.1-153.4 -72.8 163.4 36.5 -7.8 13.8 340 356 A I S > S+ 0 0 1 -211,-0.2 4,-0.7 2,-0.1 -1,-0.1 0.355 79.7 91.7-109.3 -2.8 33.1 -9.5 14.2 341 357 A F T >4 S+ 0 0 2 1,-0.2 3,-0.7 2,-0.2 4,-0.2 0.942 87.9 38.0 -59.7 -57.3 32.4 -7.2 17.1 342 358 A A T >> S+ 0 0 3 1,-0.2 3,-2.1 2,-0.2 4,-1.3 0.879 109.9 57.8 -69.4 -41.3 30.6 -4.4 15.3 343 359 A P H 3> S+ 0 0 0 0, 0.0 4,-1.3 0, 0.0 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-1,-0.2 0.924 109.2 45.4 -54.8 -48.4 12.0 -7.6 15.1 355 371 A F H X S+ 0 0 34 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.891 111.2 54.9 -61.1 -40.3 11.1 -8.6 18.6 356 372 A G H X S+ 0 0 0 -4,-2.3 4,-1.8 14,-0.3 -2,-0.2 0.838 105.1 52.3 -64.3 -34.4 10.0 -5.0 19.2 357 373 A M H X S+ 0 0 45 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.935 113.2 42.7 -67.6 -47.0 7.6 -5.1 16.2 358 374 A V H X S+ 0 0 66 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.902 113.8 53.3 -63.9 -39.6 5.9 -8.2 17.4 359 375 A A H X S+ 0 0 4 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.834 105.0 55.6 -66.3 -33.0 5.9 -6.8 20.9 360 376 A V H < S+ 0 0 48 -4,-1.8 -1,-0.2 1,-0.2 8,-0.2 0.937 112.8 39.2 -64.7 -47.5 4.2 -3.6 19.8 361 377 A E H < S+ 0 0 148 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.798 113.9 54.4 -75.7 -28.6 1.2 -5.4 18.1 362 378 A L H < S+ 0 0 95 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.778 120.4 28.4 -77.5 -26.7 0.8 -8.0 20.8 363 379 A F ><> + 0 0 42 -4,-1.4 3,-1.1 -5,-0.2 5,-0.6 -0.681 56.4 163.8-138.3 82.8 0.6 -5.5 23.6 364 380 A P G > 5S+ 0 0 37 0, 0.0 3,-0.7 0, 0.0 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153.0 34.2 -11.8 60.2 550 122 B V - 0 0 17 -2,-0.1 2,-2.1 -7,-0.1 3,-0.2 -0.745 20.7-179.2-112.1 80.9 30.7 -11.3 58.9 551 123 B R >> + 0 0 68 -2,-0.7 4,-3.4 1,-0.2 3,-1.4 -0.498 11.6 165.0 -82.1 74.0 28.5 -11.4 62.0 552 124 B W H 3> + 0 0 57 -2,-2.1 4,-1.8 1,-0.3 -1,-0.2 0.848 68.4 63.8 -63.3 -36.2 25.2 -10.9 60.2 553 125 B W H 34 S+ 0 0 142 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.757 119.3 27.4 -58.8 -23.8 23.1 -12.0 63.1 554 126 B R H <> S+ 0 0 97 -3,-1.4 4,-1.7 2,-0.1 -2,-0.2 0.816 122.4 47.9-102.3 -45.8 24.5 -8.9 64.9 555 127 B V H X>S+ 0 0 0 -4,-3.4 4,-4.3 1,-0.2 5,-0.5 0.913 100.9 63.9 -69.3 -44.5 25.3 -6.4 62.1 556 128 B L H X5S+ 0 0 32 -4,-1.8 4,-1.6 1,-0.2 5,-0.2 0.895 113.9 31.3 -47.9 -52.9 22.0 -6.6 60.2 557 129 B P H >5S+ 0 0 56 0, 0.0 4,-2.2 0, 0.0 5,-0.4 0.887 122.1 51.2 -77.2 -32.5 19.9 -5.2 63.0 558 130 B V H X5S+ 0 0 2 -4,-1.7 4,-2.3 2,-0.2 5,-0.3 0.936 115.6 39.6 -66.7 -47.0 22.6 -3.0 64.4 559 131 B K H X5S+ 0 0 0 -4,-4.3 4,-3.1 3,-0.2 5,-0.4 0.938 117.6 49.1 -68.7 -47.9 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B V H X S+ 0 0 0 -4,-4.8 4,-1.9 -5,-0.3 -1,-0.2 0.933 117.2 43.4 -69.0 -45.0 26.7 -2.0 51.3 581 153 B Q H X S+ 0 0 1 -4,-2.3 4,-2.1 -5,-0.5 -2,-0.2 0.946 118.0 44.6 -64.3 -49.5 27.6 -3.5 54.7 582 154 B I H X S+ 0 0 8 -4,-3.5 4,-3.3 -5,-0.3 5,-0.2 0.923 109.0 59.5 -58.0 -45.6 24.2 -4.9 55.2 583 155 B G H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.4 27,-0.3 0.898 106.7 45.6 -50.6 -47.6 24.2 -6.1 51.6 584 156 B G H X S+ 0 0 0 -4,-1.9 4,-2.5 25,-0.3 -1,-0.2 0.935 111.9 50.3 -65.6 -48.5 27.2 -8.2 52.2 585 157 B N H X S+ 0 0 2 -4,-2.1 4,-3.8 2,-0.2 -2,-0.2 0.948 108.8 52.9 -53.5 -47.7 25.9 -9.7 55.5 586 158 B I H X S+ 0 0 11 -4,-3.3 4,-2.2 1,-0.3 5,-0.2 0.917 109.9 48.7 -54.5 -44.3 22.7 -10.5 53.7 587 159 B G H X S+ 0 0 0 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.3 0.887 114.5 45.4 -60.2 -40.8 24.7 -12.3 51.1 588 160 B R H X S+ 0 0 60 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.872 108.1 59.5 -68.2 -38.9 26.6 -14.1 53.9 589 161 B M H X S+ 0 0 38 -4,-3.8 4,-2.7 1,-0.2 -2,-0.2 0.929 107.9 41.9 -57.5 -51.0 23.3 -14.8 55.6 590 162 B V H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.727 109.5 60.8 -72.8 -20.1 21.8 -16.8 52.8 591 163 B L H <>S+ 0 0 6 -4,-0.9 5,-1.9 -5,-0.2 4,-0.4 0.931 111.6 38.9 -67.4 -45.6 25.2 -18.5 52.3 592 164 B D H <5S+ 0 0 49 -4,-2.2 3,-0.4 3,-0.2 -2,-0.2 0.931 115.0 52.7 -68.8 -48.2 25.0 -19.9 55.8 593 165 B I H <5S+ 0 0 97 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.904 120.2 32.7 -56.2 -46.8 21.3 -20.6 55.7 594 166 B F T <5S- 0 0 115 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.453 106.4-132.2 -91.5 -2.1 21.5 -22.6 52.5 595 167 B R T 5 - 0 0 212 -3,-0.4 2,-0.6 -4,-0.4 -3,-0.2 0.872 29.7-171.8 55.2 46.1 25.0 -23.8 53.5 596 168 B L < - 0 0 35 -5,-1.9 2,-0.3 -6,-0.2 -1,-0.2 -0.595 10.5-151.6 -72.5 116.4 26.6 -23.1 50.2 597 169 B K + 0 0 206 -2,-0.6 4,-0.2 4,-0.1 2,-0.1 -0.640 45.2 63.9 -95.1 146.5 30.1 -24.6 50.4 598 170 B G S > S- 0 0 40 -2,-0.3 4,-1.6 2,-0.1 5,-0.1 -0.271 78.3 -99.4 123.0 151.8 33.1 -23.4 48.5 599 171 B D H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.858 117.7 58.4 -68.6 -37.1 35.3 -20.3 48.2 600 172 B E H > S+ 0 0 57 1,-0.2 4,-3.5 2,-0.2 42,-0.2 0.936 107.3 45.9 -60.0 -48.0 33.5 -19.1 45.1 601 173 B A H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 5,-0.4 0.921 112.4 49.0 -62.1 -47.8 30.1 -18.9 46.8 602 174 B R H < S+ 0 0 48 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.812 119.4 39.9 -64.4 -30.8 31.4 -17.2 50.0 603 175 B H H X S+ 0 0 4 -4,-1.9 4,-1.4 -5,-0.1 -2,-0.2 0.877 119.2 44.6 -85.5 -41.7 33.2 -14.6 47.8 604 176 B T H >X S+ 0 0 0 -4,-3.5 4,-2.9 36,-0.3 3,-1.2 0.997 114.2 45.2 -63.9 -65.8 30.5 -14.2 45.2 605 177 B L H 3X S+ 0 0 1 -4,-2.0 4,-0.9 1,-0.3 -1,-0.2 0.750 114.0 52.2 -54.5 -26.7 27.4 -13.9 47.3 606 178 B L H 3> S+ 0 0 3 -5,-0.4 4,-1.4 -4,-0.4 -1,-0.3 0.847 113.7 43.7 -75.3 -35.0 29.3 -11.6 49.6 607 179 B A H X S+ 0 0 0 -4,-1.8 4,-0.8 -3,-0.2 3,-0.7 0.895 115.5 53.9 -69.5 -39.9 25.5 0.3 46.4 615 187 B A H >X>S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 5,-1.5 0.928 109.3 45.9 -59.2 -48.6 23.2 -0.1 43.5 616 188 B A H 3<5S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.569 108.6 58.7 -75.1 -7.5 20.0 0.1 45.6 617 189 B A H <<5S+ 0 0 8 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.658 124.3 17.7 -91.0 -17.9 21.5 3.1 47.4 618 190 B F H <<5S- 0 0 6 -3,-1.0 -2,-0.2 -4,-0.8 48,-0.2 0.393 97.8-116.2-132.5 -3.7 21.9 5.2 44.3 619 191 B N T <5S+ 0 0 41 -4,-1.8 -3,-0.2 1,-0.2 -4,-0.1 0.884 76.9 132.9 55.6 39.2 19.7 3.5 41.7 620 192 B A >< + 0 0 0 -5,-1.5 4,-1.4 -6,-0.3 -1,-0.2 -0.775 28.7 170.3-125.2 84.0 23.0 2.9 40.0 621 193 B P H > S+ 0 0 1 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.915 80.9 47.3 -59.3 -48.6 23.3 -0.7 38.8 622 194 B L H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.936 109.6 52.1 -60.4 -49.4 26.4 -0.2 36.8 623 195 B A H > S+ 0 0 0 215,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.797 107.2 56.4 -60.2 -28.6 28.3 1.7 39.5 624 196 B G H X S+ 0 0 0 -4,-1.4 4,-1.3 2,-0.2 3,-0.4 0.974 110.6 40.0 -65.8 -56.7 27.5 -1.1 41.9 625 197 B I H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 3,-0.3 0.876 115.3 53.9 -60.5 -38.4 29.1 -3.9 39.8 626 198 B L H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 5,-0.3 0.816 102.3 58.5 -67.0 -29.5 31.9 -1.6 39.0 627 199 B F H X>S+ 0 0 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-2,-0.2 0.880 113.8 50.9 -62.6 -37.2 34.1 22.4 44.9 796 368 B G H X S+ 0 0 0 -4,-2.4 4,-2.9 22,-0.2 22,-0.3 0.936 108.1 49.5 -66.2 -48.8 33.4 21.9 41.2 797 369 B T H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.893 108.0 55.9 -57.1 -42.0 30.8 24.6 40.9 798 370 B A H X S+ 0 0 19 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.939 110.6 43.8 -54.3 -50.8 33.2 27.0 42.6 799 371 B F H X S+ 0 0 34 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.896 112.0 55.2 -60.2 -41.7 35.8 26.2 40.0 800 372 B G H X S+ 0 0 0 -4,-2.9 4,-2.0 14,-0.2 -2,-0.2 0.857 104.7 52.6 -61.1 -37.7 33.1 26.6 37.4 801 373 B M H X S+ 0 0 45 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.911 112.0 44.5 -65.5 -43.5 32.2 30.0 38.6 802 374 B V H X S+ 0 0 66 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.898 112.4 53.1 -67.1 -38.9 35.8 31.2 38.4 803 375 B A H X S+ 0 0 3 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.860 103.4 57.9 -65.3 -36.3 36.2 29.6 35.0 804 376 B V H < S+ 0 0 43 -4,-2.0 -1,-0.2 1,-0.2 8,-0.2 0.906 112.6 37.5 -61.9 -44.2 33.1 31.3 33.6 805 377 B E H < S+ 0 0 149 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.748 114.0 55.6 -82.5 -24.1 34.4 34.8 34.3 806 378 B L H < S+ 0 0 96 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.801 120.8 26.9 -77.4 -29.7 38.0 34.1 33.4 807 379 B F ><> + 0 0 39 -4,-1.7 3,-1.0 -5,-0.2 5,-0.6 -0.703 57.3 164.3-137.4 84.0 37.0 32.8 29.9 808 380 B P G > 5S+ 0 0 35 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.684 78.9 67.7 -70.0 -15.0 33.8 34.2 28.5 809 381 B Q G 3 5S+ 0 0 32 1,-0.2 617,-0.6 -3,-0.1 826,-0.1 0.695 90.6 59.7 -78.5 -19.5 35.1 32.9 25.1 810 382 B Y G < 5S- 0 0 20 -3,-1.0 -1,-0.2 -7,-0.2 -6,-0.1 0.578 99.5-139.5 -81.5 -9.7 34.6 29.3 26.3 811 383 B H T < 5 - 0 0 7 -3,-0.7 -2,-0.1 -4,-0.3 -7,-0.1 0.936 35.5-166.8 50.1 54.3 30.9 30.1 26.8 812 384 B L < - 0 0 15 -5,-0.6 2,-0.5 -8,-0.2 -1,-0.1 -0.306 28.4-154.8 -79.9 153.8 31.1 28.1 30.0 813 385 B E >> - 0 0 49 1,-0.1 3,-2.1 -140,-0.1 4,-0.5 -0.995 15.7-145.2-121.9 119.4 28.3 26.7 32.2 814 386 B A H >> S+ 0 0 15 -2,-0.5 4,-1.2 1,-0.3 3,-0.7 0.779 92.6 73.2 -57.4 -27.9 29.6 26.2 35.8 815 387 B G H 3> S+ 0 0 1 1,-0.2 4,-1.7 -63,-0.2 -1,-0.3 0.657 87.2 62.8 -62.1 -17.4 27.4 23.2 36.2 816 388 B T H <> S+ 0 0 1 -3,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.901 103.4 46.7 -74.6 -40.5 29.7 21.2 33.9 817 389 B F H X S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.2 4,-0.7 0.601 95.2 86.8 -84.5 -11.4 34.0 17.5 40.2 822 394 B M H 3< S+ 0 0 2 -4,-1.3 -30,-0.4 1,-0.3 -29,-0.3 0.894 101.7 28.0 -61.2 -44.8 31.1 15.5 41.7 823 395 B G T 3X S+ 0 0 6 -4,-0.7 4,-1.1 -3,-0.3 -1,-0.3 -0.006 100.9 93.3-102.1 28.8 32.8 12.1 41.6 824 396 B A H <> S+ 0 0 0 -3,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.810 79.9 51.4 -92.2 -34.2 36.3 13.7 41.9 825 397 B L H X>S+ 0 0 0 -4,-0.7 4,-3.6 -37,-0.4 5,-0.9 0.866 112.0 50.3 -68.6 -35.8 36.6 13.5 45.7 826 398 B L H >>S+ 0 0 1 -4,-0.3 5,-1.4 3,-0.2 6,-1.0 0.943 112.2 47.6 -59.0 -47.8 35.7 9.8 45.3 827 399 B A H <5S+ 0 0 0 -4,-1.1 -2,-0.2 4,-0.2 -1,-0.2 0.858 122.0 35.3 -60.3 -36.4 38.4 9.7 42.6 828 400 B A H <5S+ 0 0 1 -4,-2.4 -2,-0.2 3,-0.1 -3,-0.2 0.875 129.8 25.2 -90.4 -42.4 40.9 11.5 44.9 829 401 B S H <5S+ 0 0 0 -4,-3.6 43,-2.6 -5,-0.2 -3,-0.2 0.881 132.3 32.5 -93.4 -45.7 40.1 10.2 48.4 830 402 B I T < + 0 0 2 -6,-1.0 4,-2.1 1,-0.1 5,-0.1 -0.618 26.6 159.6-131.0 74.9 37.9 4.5 42.7 833 405 B P H > + 0 0 7 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.891 69.6 54.7 -66.5 -44.3 37.6 6.8 39.8 834 406 B L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.894 113.0 43.7 -59.4 -41.4 35.9 4.4 37.3 835 407 B T H > S+ 0 0 0 2,-0.2 4,-2.2 -209,-0.2 -1,-0.2 0.906 115.2 49.2 -69.8 -41.7 33.2 3.7 39.8 836 408 B G H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.920 112.7 46.5 -62.8 -45.9 32.8 7.3 40.7 837 409 B I H X S+ 0 0 4 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.933 115.0 45.8 -63.7 -46.9 32.6 8.5 37.1 838 410 B I H X S+ 0 0 2 -4,-2.1 4,-2.2 -5,-0.3 -215,-0.2 0.848 111.8 54.6 -66.2 -31.2 30.1 5.8 36.1 839 411 B L H X S+ 0 0 0 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.967 109.4 44.5 -64.3 -54.0 28.1 6.6 39.3 840 412 B V H X S+ 0 0 2 -4,-2.6 4,-3.1 1,-0.2 5,-0.5 0.882 112.5 53.8 -58.2 -40.3 27.8 10.3 38.4 841 413 B L H X S+ 0 0 7 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.927 108.8 48.5 -58.7 -46.2 26.9 9.3 34.9 842 414 B E H < S+ 0 0 11 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.686 119.0 40.6 -69.0 -18.0 24.2 7.1 36.1 843 415 B M H < S+ 0 0 19 -4,-1.1 -176,-0.3 -3,-0.4 -2,-0.2 0.772 125.6 29.2-101.5 -32.2 22.9 9.8 38.4 844 416 B T H < S- 0 0 5 -4,-3.1 -174,-0.3 -5,-0.2 -175,-0.2 0.675 83.7-147.5-104.8 -21.3 23.2 12.9 36.2 845 417 B D < + 0 0 44 -4,-2.1 2,-0.3 -5,-0.5 3,-0.1 0.851 52.6 132.7 56.5 39.0 22.7 11.4 32.7 846 418 B N > + 0 0 1 -6,-0.2 3,-1.9 1,-0.1 -1,-0.1 -0.514 18.2 161.8-114.1 64.0 25.0 14.0 31.1 847 419 B Y G > + 0 0 21 1,-0.3 3,-2.1 -2,-0.3 4,-0.2 0.715 64.3 75.9 -58.9 -22.4 27.2 11.6 29.0 848 420 B Q G 3 S+ 0 0 33 1,-0.3 -173,-0.5 -3,-0.1 -1,-0.3 0.412 93.1 55.2 -71.4 4.9 28.3 14.5 26.8 849 421 B L G <> S+ 0 0 0 -3,-1.9 4,-3.0 -175,-0.1 -1,-0.3 0.084 71.7 112.9-117.8 19.4 30.5 15.4 29.7 850 422 B I H <> S+ 0 0 0 -3,-2.1 4,-3.0 1,-0.2 5,-0.2 0.871 75.8 51.6 -64.8 -36.4 32.2 12.1 29.9 851 423 B L H > S+ 0 0 7 -4,-0.2 4,-2.8 2,-0.2 5,-0.2 0.932 112.6 44.5 -66.9 -46.9 35.6 13.5 28.8 852 424 B P H > S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.946 116.6 47.8 -57.0 -46.6 35.5 16.2 31.4 853 425 B M H X S+ 0 0 5 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.901 115.6 43.7 -61.2 -43.8 34.4 13.7 34.0 854 426 B I H X S+ 0 0 2 -4,-3.0 4,-2.4 -5,-0.2 5,-0.2 0.917 115.9 47.3 -69.5 -42.4 37.0 11.2 33.1 855 427 B I H X S+ 0 0 14 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.923 114.4 45.4 -66.3 -45.5 39.8 13.8 32.8 856 428 B T H X S+ 0 0 0 -4,-2.8 4,-1.3 -5,-0.2 -1,-0.2 0.905 114.9 49.0 -64.2 -41.5 39.0 15.4 36.1 857 429 B G H X S+ 0 0 1 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.891 114.4 44.2 -65.0 -39.6 38.6 12.1 37.8 858 430 B L H X S+ 0 0 7 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.804 109.7 55.0 -77.7 -29.4 41.9 10.8 36.5 859 431 B G H X S+ 0 0 2 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.771 109.8 50.7 -70.5 -26.0 43.7 14.1 37.3 860 432 B A H X S+ 0 0 0 -4,-1.3 4,-2.4 -5,-0.2 -2,-0.2 0.957 110.9 44.7 -71.4 -53.7 42.4 13.5 40.8 861 433 B T H X S+ 0 0 1 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.788 113.5 52.4 -64.9 -29.6 43.7 9.9 41.1 862 434 B L H X S+ 0 0 37 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.962 114.6 38.6 -70.2 -53.3 47.0 10.8 39.6 863 435 B L H X S+ 0 0 41 -4,-1.5 4,-1.0 1,-0.2 -2,-0.2 0.782 111.3 60.8 -69.8 -26.8 47.8 13.7 41.9 864 436 B A H <>S+ 0 0 0 -4,-2.4 5,-1.9 2,-0.2 -1,-0.2 0.895 111.9 39.6 -63.9 -39.4 46.3 11.8 44.8 865 437 B Q H ><5S+ 0 0 22 -4,-1.4 3,-2.0 -5,-0.2 -2,-0.2 0.954 114.6 51.4 -70.5 -52.2 49.0 9.2 44.2 866 438 B F H 3<5S+ 0 0 90 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.582 107.3 54.8 -67.8 -10.9 51.8 11.6 43.4 867 439 B T T 3<5S- 0 0 59 -4,-1.0 -1,-0.3 -176,-0.2 -2,-0.1 0.146 121.3-102.9-107.3 17.5 51.1 13.6 46.6 868 440 B G T < 5S+ 0 0 59 -3,-2.0 2,-0.2 1,-0.2 -3,-0.2 0.914 71.0 143.5 67.5 46.3 51.4 10.5 48.9 869 441 B G < - 0 0 11 -5,-1.9 -1,-0.2 -4,-0.2 -40,-0.1 -0.613 32.9-147.9-106.4 172.2 47.7 9.8 49.6 870 442 B K - 0 0 79 -2,-0.2 2,-0.3 -41,-0.1 5,-0.1 -0.972 33.3 -81.1-141.0 154.0 46.0 6.4 49.9 871 443 B P >> - 0 0 1 0, 0.0 4,-2.4 0, 0.0 3,-0.8 -0.418 40.5-144.6 -52.6 112.5 42.6 4.8 49.2 872 444 B L H 3> S+ 0 0 0 -43,-2.6 4,-1.3 -2,-0.3 -42,-0.2 0.849 97.0 50.2 -52.1 -43.3 40.6 5.8 52.2 873 445 B Y H 3> S+ 0 0 0 -43,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.811 116.3 41.1 -70.3 -29.3 38.7 2.6 52.4 874 446 B S H <> S+ 0 0 4 -3,-0.8 4,-1.4 2,-0.2 -2,-0.2 0.690 110.8 57.5 -88.7 -20.6 41.9 0.5 52.3 875 447 B A H X S+ 0 0 9 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.731 108.9 47.7 -77.3 -22.7 43.6 2.9 54.6 876 448 B I H X S+ 0 0 16 -4,-1.3 4,-2.6 -5,-0.3 5,-0.2 0.887 110.2 49.1 -82.0 -43.9 40.9 2.2 57.1 877 449 B L H X S+ 0 0 4 -4,-1.3 4,-2.9 1,-0.2 5,-0.2 0.854 110.5 53.4 -63.1 -34.3 41.0 -1.5 56.8 878 450 B A H X S+ 0 0 2 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.904 108.6 49.2 -66.1 -43.0 44.8 -1.3 57.2 879 451 B R H X S+ 0 0 83 -4,-1.1 4,-2.1 2,-0.2 3,-0.2 0.966 116.4 41.6 -55.8 -57.8 44.2 0.7 60.5 880 452 B T H X S+ 0 0 45 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.914 114.3 50.2 -60.0 -47.9 41.8 -1.8 61.8 881 453 B L H X S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.793 114.2 45.7 -64.9 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