==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 04-JUN-12 4FG6 . COMPND 2 MOLECULE: H(+)/CL(-) EXCHANGE TRANSPORTER CLCA; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA SONNEI; . AUTHOR L.FENG,R.MACKINNON . 1749 6 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 68731.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1283 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.1 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 . 9 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 . 7 0.4 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 . 129 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 145 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 581 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 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 4 4 1 1 4 3 1 0 3 1 0 0 2 2 3 1 4 2 2 0 0 1 1 0 0 0 4 RESIDUES PER ALPHA HELIX . 1 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 7 13 3 11 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 1 9 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 0 147 0, 0.0 4,-2.8 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 -41.2 58.0 -27.4 50.2 2 18 A R H 3> + 0 0 73 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.779 360.0 55.4 -52.3 -28.7 56.2 -24.5 52.0 3 19 A R H 3> S+ 0 0 38 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.865 108.0 46.1 -77.5 -29.0 59.5 -22.6 51.5 4 20 A Q H <> S+ 0 0 107 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.918 111.9 51.3 -75.8 -47.6 59.5 -23.2 47.8 5 21 A L H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.938 109.9 49.9 -53.2 -52.5 55.8 -22.2 47.6 6 22 A I H X S+ 0 0 21 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.888 110.4 50.9 -53.6 -43.9 56.6 -19.0 49.5 7 23 A R H X S+ 0 0 168 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.912 112.6 46.1 -60.5 -41.3 59.5 -18.3 47.1 8 24 A Q H >< S+ 0 0 57 -4,-2.5 3,-0.7 2,-0.2 4,-0.4 0.916 111.0 50.2 -70.0 -48.0 57.2 -18.8 44.1 9 25 A L H >< S+ 0 0 13 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.967 111.6 49.4 -52.4 -56.7 54.3 -16.7 45.4 10 26 A L H 3< S+ 0 0 64 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.696 117.7 42.0 -57.1 -17.5 56.8 -13.9 46.1 11 27 A E T << S+ 0 0 102 -4,-0.7 3,-0.4 -3,-0.7 -1,-0.3 0.280 88.1 131.6-111.6 6.7 58.1 -14.4 42.5 12 28 A R < + 0 0 20 -3,-1.9 -3,-0.1 -4,-0.4 3,-0.1 -0.294 64.3 14.8 -66.4 147.3 54.7 -14.8 40.8 13 29 A D S S+ 0 0 38 1,-0.1 2,-0.4 857,-0.1 -1,-0.2 0.898 78.0 134.8 56.7 56.8 53.8 -12.8 37.6 14 30 A K + 0 0 121 -3,-0.4 -1,-0.1 852,-0.0 3,-0.0 -0.758 29.0 179.8-132.3 87.0 57.2 -11.6 36.5 15 31 A T - 0 0 7 -2,-0.4 5,-0.1 1,-0.1 2,-0.0 -0.751 38.7-101.8 -94.7 128.2 57.5 -12.2 32.8 16 32 A P >> - 0 0 63 0, 0.0 4,-1.4 0, 0.0 3,-1.4 -0.294 28.0-129.1 -46.3 125.0 60.7 -11.2 31.0 17 33 A L H 3> S+ 0 0 140 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.749 105.9 62.6 -51.8 -29.7 60.0 -7.8 29.2 18 34 A A H 3> S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.911 102.3 48.0 -63.3 -45.1 61.5 -9.3 26.0 19 35 A I H <> S+ 0 0 12 -3,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.884 112.3 50.7 -63.0 -40.3 58.8 -12.0 25.8 20 36 A L H X S+ 0 0 14 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.941 110.9 47.0 -62.2 -49.5 56.1 -9.4 26.4 21 37 A F H X S+ 0 0 127 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.874 112.6 50.1 -63.1 -34.2 57.4 -7.1 23.7 22 38 A M H X S+ 0 0 28 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.802 106.0 55.9 -76.3 -23.9 57.6 -10.1 21.3 23 39 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.849 107.3 51.0 -72.3 -32.0 54.1 -11.0 22.2 24 40 A A H X S+ 0 0 17 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.967 111.1 45.9 -67.3 -51.2 53.1 -7.5 21.1 25 41 A V H X S+ 0 0 45 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.875 113.8 50.2 -58.9 -39.2 55.0 -7.8 17.8 26 42 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.964 108.9 50.9 -62.9 -55.7 53.4 -11.3 17.3 27 43 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.925 110.7 49.9 -47.8 -47.6 49.9 -9.9 18.0 28 44 A T H X S+ 0 0 40 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.937 113.4 44.7 -59.8 -47.0 50.5 -7.1 15.5 29 45 A L H X S+ 0 0 66 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.900 113.8 48.7 -64.7 -44.5 51.7 -9.5 12.7 30 46 A V H X S+ 0 0 1 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.893 112.2 50.9 -61.2 -41.2 48.9 -12.1 13.3 31 47 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.942 111.1 46.1 -63.9 -45.6 46.4 -9.3 13.2 32 48 A L H X S+ 0 0 77 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.903 113.6 50.4 -64.2 -37.2 47.6 -7.9 10.0 33 49 A A H X S+ 0 0 25 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.893 109.6 49.7 -68.5 -38.8 47.7 -11.4 8.5 34 50 A A H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.870 111.7 48.9 -68.2 -37.4 44.2 -12.2 9.5 35 51 A V H X S+ 0 0 10 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.961 112.3 47.8 -64.7 -53.3 43.0 -8.9 8.0 36 52 A A H X S+ 0 0 49 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.904 113.8 48.6 -51.9 -47.6 44.8 -9.5 4.7 37 53 A F H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.938 110.8 48.8 -59.8 -53.8 43.4 -13.1 4.7 38 54 A D H X S+ 0 0 35 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.913 113.0 48.6 -53.3 -43.6 39.8 -12.0 5.4 39 55 A K H X S+ 0 0 97 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.907 109.8 51.1 -66.7 -42.2 40.0 -9.3 2.7 40 56 A G H X S+ 0 0 22 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.924 111.3 48.4 -61.4 -44.9 41.4 -11.7 0.1 41 57 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.940 112.4 47.8 -58.7 -53.2 38.7 -14.2 0.8 42 58 A A H X S+ 0 0 44 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.884 110.5 53.1 -55.0 -39.4 36.0 -11.5 0.5 43 59 A W H X S+ 0 0 146 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.849 109.9 48.0 -65.9 -38.8 37.5 -10.3 -2.7 44 60 A L H X S+ 0 0 36 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.920 110.8 48.4 -69.2 -46.6 37.4 -13.8 -4.2 45 61 A Q H X S+ 0 0 69 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.866 113.9 51.2 -61.0 -31.5 33.8 -14.4 -3.3 46 62 A N H X S+ 0 0 98 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.981 109.5 46.4 -67.8 -60.4 33.1 -11.0 -4.8 47 63 A Q H X S+ 0 0 93 -4,-2.7 4,-1.2 1,-0.2 3,-0.5 0.899 113.6 50.8 -48.5 -48.4 34.9 -11.7 -8.1 48 64 A R H >X S+ 0 0 36 -4,-2.7 4,-1.3 1,-0.2 3,-0.7 0.925 110.9 46.4 -57.2 -48.6 33.1 -15.1 -8.3 49 65 A M H 3< S+ 0 0 89 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.697 110.6 57.2 -70.3 -11.0 29.7 -13.5 -7.7 50 66 A G H >X S+ 0 0 40 -4,-1.4 4,-0.8 -3,-0.5 3,-0.7 0.705 99.7 55.9 -88.8 -24.1 30.7 -10.9 -10.3 51 67 A A H > - 0 0 86 1,-0.2 4,-1.3 2,-0.1 3,-1.1 -0.596 69.8-164.7 -79.7 84.3 22.8 -19.0 -20.2 59 75 A Y H 3> S+ 0 0 125 -2,-1.5 4,-2.6 1,-0.3 3,-0.3 0.792 87.5 50.1 -37.9 -47.9 21.5 -20.6 -16.9 60 76 A P H 3> S+ 0 0 79 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.906 109.6 52.1 -62.7 -36.5 23.3 -23.9 -17.6 61 77 A L H <> S+ 0 0 73 -3,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.737 108.8 53.1 -68.2 -23.2 26.5 -22.0 -18.3 62 78 A L H X S+ 0 0 13 -4,-1.3 4,-2.5 -3,-0.3 5,-0.3 0.969 108.4 45.5 -73.8 -58.8 25.8 -20.3 -14.9 63 79 A L H X S+ 0 0 46 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.652 116.9 51.6 -57.7 -12.6 25.5 -23.5 -13.0 64 80 A T H X S+ 0 0 65 -4,-0.8 4,-2.8 -5,-0.2 -2,-0.2 0.915 109.5 43.2 -89.9 -52.2 28.6 -24.5 -14.9 65 81 A V H X S+ 0 0 27 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.787 110.2 57.3 -67.0 -27.8 30.9 -21.5 -14.3 66 82 A A H X S+ 0 0 8 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.976 113.4 41.0 -63.3 -50.1 30.0 -21.4 -10.6 67 83 A F H X S+ 0 0 73 -4,-0.6 4,-2.6 -5,-0.3 -2,-0.2 0.906 114.3 50.6 -61.7 -54.8 31.1 -25.0 -10.3 68 84 A L H X S+ 0 0 98 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.935 112.4 47.7 -52.8 -49.5 34.2 -24.6 -12.5 69 85 A C H X S+ 0 0 48 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.938 115.6 43.1 -56.7 -50.2 35.4 -21.5 -10.4 70 86 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.852 114.2 52.3 -64.7 -34.7 34.8 -23.2 -7.1 71 87 A A H X S+ 0 0 9 -4,-2.6 4,-3.0 -5,-0.2 5,-0.2 0.935 108.7 49.2 -68.2 -47.1 36.4 -26.4 -8.4 72 88 A V H X S+ 0 0 87 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.875 115.0 45.2 -62.9 -34.3 39.5 -24.6 -9.6 73 89 A L H X S+ 0 0 37 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.934 114.4 46.6 -76.1 -43.3 39.9 -22.8 -6.3 74 90 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.942 113.5 49.9 -59.9 -50.5 39.3 -25.9 -4.1 75 91 A M H X S+ 0 0 54 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.916 107.5 53.5 -55.2 -49.0 41.7 -27.9 -6.3 76 92 A F H X S+ 0 0 95 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.881 112.5 47.1 -54.5 -36.7 44.3 -25.1 -5.9 77 93 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.970 112.0 44.9 -68.5 -57.8 43.9 -25.4 -2.2 78 94 A Y H X S+ 0 0 2 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.856 115.1 52.4 -54.6 -39.5 44.0 -29.2 -1.8 79 95 A F H X S+ 0 0 76 -4,-2.6 4,-2.9 -5,-0.3 5,-0.5 0.995 107.0 49.3 -59.4 -66.8 47.0 -29.2 -4.1 80 96 A L H X>S+ 0 0 28 -4,-2.4 4,-1.5 -5,-0.2 5,-1.0 0.811 118.7 41.5 -42.9 -38.7 49.0 -26.5 -2.2 81 97 A V H <5S+ 0 0 2 -4,-2.2 4,-0.3 3,-0.2 -2,-0.2 0.981 116.7 43.8 -74.9 -59.8 48.4 -28.5 1.0 82 98 A R H <5S+ 0 0 75 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.765 122.4 40.5 -57.1 -27.5 48.9 -32.1 -0.2 83 99 A K H <5S+ 0 0 126 -4,-2.9 -1,-0.2 -5,-0.3 -3,-0.2 0.890 131.6 15.6 -92.3 -44.9 52.0 -31.1 -2.2 84 100 A Y T <5S+ 0 0 116 -4,-1.5 -3,-0.2 -5,-0.5 -2,-0.1 0.912 133.4 13.1 -99.1 -56.4 53.8 -28.7 0.2 85 101 A A > < + 0 0 0 -5,-1.0 3,-1.8 -4,-0.3 -1,-0.2 -0.751 52.2 179.5-131.2 90.9 52.4 -28.8 3.8 86 102 A P G > S+ 0 0 55 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.718 83.0 65.5 -54.1 -28.8 50.2 -31.9 4.6 87 103 A E G 3 S+ 0 0 12 1,-0.2 8,-0.2 -6,-0.1 -5,-0.1 0.712 85.2 69.4 -69.5 -27.8 49.9 -30.6 8.2 88 104 A A G < S+ 0 0 0 -3,-1.8 2,-0.5 -7,-0.2 -1,-0.2 0.237 77.5 115.3 -76.9 14.2 48.0 -27.4 7.0 89 105 A G S < S- 0 0 29 -3,-0.9 3,-0.3 248,-0.1 2,-0.2 -0.765 73.8 -8.5 -91.1 125.4 45.1 -29.8 6.2 90 106 A G S S- 0 0 9 -2,-0.5 248,-1.6 245,-0.4 243,-0.1 -0.609 120.9 -20.4 95.8-149.3 41.9 -29.4 8.2 91 107 A S - 0 0 5 -2,-0.2 46,-0.3 246,-0.2 -1,-0.2 0.958 65.2-150.6 -62.8 -56.5 41.4 -27.2 11.3 92 108 A G S > S+ 0 0 2 -3,-0.3 4,-2.0 44,-0.1 5,-0.1 0.075 72.5 99.2 103.5 -22.6 45.1 -26.8 12.3 93 109 A I H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.920 79.4 51.9 -62.9 -47.4 44.2 -26.4 16.0 94 110 A P H > S+ 0 0 7 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.946 109.5 51.1 -54.6 -49.3 45.0 -30.1 16.8 95 111 A E H > S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.898 110.5 48.4 -53.1 -45.0 48.4 -29.7 15.2 96 112 A I H X S+ 0 0 4 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.863 109.2 52.4 -66.8 -34.1 49.0 -26.5 17.3 97 113 A E H X S+ 0 0 10 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.909 108.9 51.9 -64.9 -38.1 48.0 -28.3 20.5 98 114 A G H ><>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 3,-0.6 0.914 106.8 52.2 -62.2 -46.4 50.5 -31.0 19.5 99 115 A A H ><5S+ 0 0 9 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.813 106.1 54.0 -61.0 -31.3 53.1 -28.3 19.1 100 116 A L H 3<5S+ 0 0 1 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.754 108.8 49.2 -72.1 -25.9 52.3 -27.1 22.6 101 117 A E T <<5S- 0 0 15 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.303 115.5-121.6 -90.4 4.2 52.9 -30.7 23.7 102 118 A D T < 5S+ 0 0 69 -3,-1.0 -3,-0.2 2,-0.2 -2,-0.1 0.782 87.1 111.6 57.7 31.0 56.2 -30.6 21.8 103 119 A Q < + 0 0 61 -5,-2.8 -4,-0.2 1,-0.2 -5,-0.1 0.381 69.2 46.4-112.2 0.5 54.8 -33.6 19.8 104 120 A R S S- 0 0 47 -6,-0.5 -1,-0.2 -8,-0.1 -2,-0.2 -0.996 81.1-118.9-147.6 134.3 54.4 -31.8 16.5 105 121 A P - 0 0 84 0, 0.0 2,-0.4 0, 0.0 -6,-0.1 -0.285 12.0-138.2 -71.0 160.1 56.7 -29.5 14.5 106 122 A V - 0 0 12 -7,-0.1 2,-2.5 34,-0.0 3,-0.2 -0.679 21.7-179.7-118.7 75.5 55.9 -26.0 13.5 107 123 A R >> + 0 0 72 -2,-0.4 4,-3.0 1,-0.2 3,-1.6 -0.444 12.2 164.2 -75.7 69.0 57.1 -25.7 9.9 108 124 A W H 3> + 0 0 57 -2,-2.5 4,-2.1 1,-0.3 -1,-0.2 0.839 67.1 66.7 -57.7 -35.7 56.1 -22.1 9.5 109 125 A W H 34 S+ 0 0 142 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.687 117.8 27.5 -60.7 -15.8 58.2 -21.6 6.4 110 126 A R H <> S+ 0 0 102 -3,-1.6 4,-2.1 3,-0.1 -2,-0.2 0.781 121.9 48.2-108.8 -55.2 55.8 -24.0 4.8 111 127 A V H X>S+ 0 0 0 -4,-3.0 4,-4.2 3,-0.2 5,-0.5 0.896 104.6 60.3 -57.8 -47.9 52.5 -23.6 6.7 112 128 A L H X5S+ 0 0 30 -4,-2.1 4,-1.9 1,-0.2 5,-0.3 0.957 114.2 32.5 -49.6 -62.2 52.4 -19.8 6.5 113 129 A P H >5S+ 0 0 60 0, 0.0 4,-1.8 0, 0.0 5,-0.4 0.900 125.9 45.4 -66.8 -32.4 52.4 -19.5 2.7 114 130 A V H X5S+ 0 0 6 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.940 113.9 44.9 -73.4 -49.4 50.4 -22.8 2.3 115 131 A K H X5S+ 0 0 0 -4,-4.2 4,-2.0 -5,-0.2 5,-0.2 0.897 117.5 48.0 -63.8 -35.3 47.8 -22.2 4.9 116 132 A F H XS+ 0 0 0 -4,-2.0 4,-3.7 -5,-0.3 5,-0.5 0.861 107.9 63.5 -66.4 -36.5 42.7 -21.4 2.7 120 136 A L H X5S+ 0 0 24 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.865 105.4 47.6 -52.7 -40.3 42.2 -18.4 0.5 121 137 A G H X5S+ 0 0 2 -4,-1.4 4,-0.6 2,-0.2 -1,-0.2 0.933 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316 A G S > S+ 0 0 2 -3,-0.2 4,-0.7 46,-0.1 3,-0.3 0.253 78.1 114.2 101.0 -14.4 27.0 -19.5 7.7 301 317 A F T >4 S+ 0 0 40 1,-0.2 3,-0.9 2,-0.2 -3,-0.0 0.867 72.9 59.0 -53.6 -42.8 27.4 -16.1 9.3 302 318 A N T 3> S+ 0 0 138 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.902 105.3 46.8 -55.2 -44.9 24.9 -14.6 6.8 303 319 A L H 3> S+ 0 0 9 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.547 95.2 79.2 -78.7 -8.5 22.0 -16.9 7.7 304 320 A I H S+ 0 0 40 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.900 116.3 49.6 -54.0 -41.9 20.7 -13.0 12.0 306 322 A I H X>S+ 0 0 69 -4,-0.6 5,-2.0 2,-0.2 4,-0.7 0.923 112.3 45.3 -60.4 -53.4 17.9 -14.2 9.7 307 323 A A H ><5S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 5,-0.2 0.897 112.0 52.8 -58.7 -43.7 17.3 -17.5 11.5 308 324 A T H 3<5S+ 0 0 6 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.837 105.5 54.8 -61.0 -37.4 17.5 -15.7 14.9 309 325 A A H 3<5S- 0 0 67 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.651 115.4-115.8 -72.0 -14.7 14.8 -13.2 13.8 310 326 A G T <<5S+ 0 0 34 -3,-0.9 -3,-0.2 -4,-0.7 -2,-0.1 0.752 74.5 133.4 84.6 26.8 12.4 -16.0 12.9 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H <>S+ 0 0 0 -4,-2.2 5,-0.9 -5,-0.2 -1,-0.2 0.901 120.7 37.8 -77.4 -44.9 34.1 -30.1 3.6 332 348 A F H ><5S+ 0 0 5 -4,-2.8 3,-1.8 -5,-0.2 4,-0.2 0.950 115.6 50.1 -72.2 -55.2 35.9 -30.5 6.9 333 349 A S H 3<5S+ 0 0 4 -4,-2.1 -1,-0.2 -5,-0.4 -3,-0.2 0.769 96.2 73.7 -55.0 -29.1 36.4 -34.3 6.9 334 350 A S T 3<5S- 0 0 2 -4,-0.7 -1,-0.3 -5,-0.4 -2,-0.1 0.478 113.4-112.3 -66.7 -3.2 37.9 -34.0 3.3 335 351 A G T < 5 + 0 0 19 -3,-1.8 -245,-0.4 1,-0.3 -2,-0.1 0.637 63.1 156.4 80.1 11.1 41.0 -32.5 4.8 336 352 A A < - 0 0 0 -5,-0.9 2,-0.5 -247,-0.2 -1,-0.3 -0.488 53.0-101.2 -67.5 142.4 40.4 -29.1 3.2 337 353 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -246,-0.2 -0.567 77.7 91.4 -68.1 113.5 42.1 -26.2 5.0 338 354 A G - 0 0 0 -248,-1.6 -207,-0.2 -2,-0.5 2,-0.1 -0.915 67.8 -91.1 171.5 167.3 39.5 -24.4 7.2 339 355 A G B -A 130 0A 0 -209,-2.1 -209,-1.7 -2,-0.3 -249,-0.0 -0.407 11.0-155.4 -94.9 169.8 37.9 -24.1 10.6 340 356 A I S > S+ 0 0 3 -211,-0.2 4,-1.6 -2,-0.1 5,-0.1 0.366 74.4 90.4-123.2 0.4 34.7 -25.8 12.0 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4,-2.8 1,-0.2 5,-0.3 0.885 109.4 46.2 -72.9 -45.8 22.9 12.2 70.1 506 78 B L H X S+ 0 0 7 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.869 110.6 52.3 -69.7 -33.6 22.7 10.9 66.6 507 79 B L H X S+ 0 0 38 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.842 112.9 48.5 -67.9 -24.9 26.4 11.1 66.1 508 80 B T H X S+ 0 0 69 -4,-1.2 4,-3.1 2,-0.2 -2,-0.2 0.955 112.7 42.7 -79.6 -52.3 26.7 9.1 69.3 509 81 B V H X S+ 0 0 34 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.832 114.0 55.4 -63.8 -29.2 24.1 6.3 68.5 510 82 B A H X S+ 0 0 6 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.2 0.958 112.9 40.7 -64.6 -51.6 25.7 6.2 65.1 511 83 B F H X S+ 0 0 74 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.975 116.8 48.9 -59.2 -59.5 29.1 5.6 66.6 512 84 B L H X S+ 0 0 93 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.879 108.1 50.4 -47.9 -56.4 27.9 3.2 69.3 513 85 B C H X S+ 0 0 43 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.910 116.1 42.7 -52.4 -45.0 25.8 0.9 67.1 514 86 B S H X S+ 0 0 1 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.2 0.795 113.5 52.7 -71.6 -32.7 28.7 0.4 64.7 515 87 B A H X S+ 0 0 9 -4,-2.0 4,-3.0 212,-0.2 5,-0.2 0.938 109.5 48.3 -68.8 -49.2 31.1 0.1 67.5 516 88 B V H X S+ 0 0 85 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.877 115.6 44.5 -60.7 -35.9 29.1 -2.7 69.2 517 89 B L H X S+ 0 0 37 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.908 114.1 49.1 -77.8 -36.9 28.7 -4.6 65.9 518 90 B A H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.928 113.2 47.1 -64.1 -47.3 32.4 -4.1 65.0 519 91 B M H X S+ 0 0 57 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.920 109.1 53.5 -61.0 -48.3 33.5 -5.3 68.4 520 92 B F H X S+ 0 0 93 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.861 112.5 47.6 -55.1 -33.1 31.1 -8.3 68.2 521 93 B G H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.940 113.6 42.4 -73.8 -51.8 32.8 -9.1 64.9 522 94 B Y H X S+ 0 0 2 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.850 116.4 52.3 -61.0 -38.5 36.4 -8.8 65.9 523 95 B F H X S+ 0 0 77 -4,-2.8 4,-2.6 -5,-0.3 5,-0.4 0.996 107.1 49.5 -59.2 -64.6 35.6 -10.6 69.1 524 96 B L H X>S+ 0 0 29 -4,-2.3 4,-1.1 -5,-0.2 5,-0.8 0.790 118.2 42.8 -46.6 -31.3 33.9 -13.5 67.3 525 97 B V H X5S+ 0 0 2 -4,-1.6 4,-0.9 3,-0.2 7,-0.2 0.962 113.5 45.8 -81.0 -56.1 37.0 -13.8 65.1 526 98 B R H <5S+ 0 0 72 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.788 119.7 41.6 -57.8 -32.6 39.9 -13.3 67.6 527 99 B K H <5S+ 0 0 121 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.917 130.6 17.3 -85.6 -46.8 38.4 -15.8 70.1 528 100 B Y H <5S+ 0 0 110 -4,-1.1 -3,-0.2 -5,-0.4 -2,-0.1 0.885 134.3 11.8 -97.8 -50.0 37.1 -18.6 67.9 529 101 B A ><< + 0 0 0 -4,-0.9 3,-2.2 -5,-0.8 4,-0.3 -0.656 50.1 174.2-137.0 88.1 38.7 -18.4 64.4 530 102 B P G > S+ 0 0 60 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.796 84.3 65.1 -54.1 -31.2 41.7 -16.1 63.9 531 103 B E G 3 S+ 0 0 14 1,-0.2 8,-0.1 -6,-0.1 -5,-0.1 0.531 93.4 63.5 -71.1 -10.6 42.0 -17.5 60.4 532 104 B A G < S+ 0 0 0 -3,-2.2 -1,-0.2 -7,-0.2 2,-0.1 0.582 77.2 91.5 -95.7 -14.1 38.6 -16.0 59.5 533 105 B G S < S+ 0 0 18 -3,-1.0 247,-0.2 -4,-0.3 3,-0.2 -0.526 76.9 36.0 -82.3 161.5 39.2 -12.3 59.8 534 106 B G B S-b 781 0B 12 246,-1.1 248,-1.1 1,-0.2 249,-0.1 -0.419 119.6 -52.5 87.2-175.7 40.4 -10.5 56.6 535 107 B S - 0 0 3 246,-0.2 46,-0.4 -2,-0.1 -1,-0.2 0.907 63.0-150.1 -63.2 -41.0 39.1 -11.4 53.1 536 108 B G > + 0 0 3 -3,-0.2 4,-1.6 246,-0.1 5,-0.1 0.493 63.3 117.6 82.2 3.0 40.1 -15.1 53.7 537 109 B I H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.928 74.3 51.1 -64.9 -41.2 40.7 -15.6 50.1 538 110 B P H > S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.879 104.8 58.1 -62.3 -40.0 44.4 -16.4 50.8 539 111 B E H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.946 107.9 45.6 -52.0 -54.0 43.4 -18.9 53.4 540 112 B I H X S+ 0 0 5 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.803 109.6 55.3 -60.3 -33.0 41.4 -20.8 50.7 541 113 B E H X S+ 0 0 13 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.934 108.1 49.3 -66.7 -39.9 44.3 -20.6 48.3 542 114 B G H ><>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 3,-0.5 0.941 109.3 51.7 -60.2 -49.1 46.5 -22.2 51.0 543 115 B A H ><5S+ 0 0 6 -4,-2.5 3,-0.8 1,-0.3 -1,-0.2 0.837 106.5 53.1 -58.8 -34.7 43.9 -24.9 51.4 544 116 B L H 3<5S+ 0 0 0 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.819 111.2 47.1 -70.3 -26.2 43.9 -25.5 47.7 545 117 B E T <<5S- 0 0 14 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.428 116.6-120.8 -89.1 -1.7 47.7 -25.9 48.1 546 118 B D T < 5S+ 0 0 60 -3,-0.8 -3,-0.2 -4,-0.3 -2,-0.1 0.841 86.7 112.6 63.4 33.6 47.0 -28.2 51.1 547 119 B Q S > + 0 0 74 -2,-0.4 4,-3.3 1,-0.2 3,-1.9 -0.385 14.1 162.9 -73.6 67.5 38.0 -25.4 60.0 552 124 B W H 3> + 0 0 53 -2,-2.8 4,-1.8 1,-0.3 -1,-0.2 0.822 67.4 64.5 -58.7 -33.0 34.5 -25.0 58.7 553 125 B W H 34 S+ 0 0 143 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.705 119.5 26.6 -63.6 -18.8 32.9 -25.9 62.1 554 126 B R H <> S+ 0 0 100 -3,-1.9 4,-1.9 3,-0.1 -2,-0.2 0.788 123.5 47.8-105.5 -56.5 34.5 -22.7 63.3 555 127 B V H X>S+ 0 0 0 -4,-3.3 4,-3.7 2,-0.2 5,-0.5 0.899 103.7 60.5 -55.3 -50.2 34.8 -20.5 60.3 556 128 B L H X5S+ 0 0 27 -4,-1.8 4,-2.1 -5,-0.2 5,-0.2 0.952 113.7 33.1 -47.8 -63.2 31.2 -20.9 59.0 557 129 B P H >5S+ 0 0 60 0, 0.0 4,-2.1 0, 0.0 5,-0.4 0.894 123.9 47.8 -66.3 -28.1 29.4 -19.5 62.0 558 130 B V H X5S+ 0 0 6 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.974 113.6 43.6 -74.4 -53.4 32.2 -17.0 62.8 559 131 B K H X5S+ 0 0 0 -4,-3.7 4,-2.4 3,-0.2 5,-0.3 0.885 118.2 48.7 -58.4 -42.4 32.7 -15.6 59.2 560 132 B F H XX S+ 0 0 0 -4,-3.0 4,-1.9 -5,-0.4 3,-0.8 0.972 109.2 40.2 -69.7 -52.0 31.3 -12.0 62.2 563 135 B G H 3X>S+ 0 0 0 -4,-2.4 4,-4.1 -5,-0.3 5,-0.7 0.865 105.9 67.4 -63.5 -35.1 30.9 -10.2 58.9 564 136 B L H 3X5S+ 0 0 27 -4,-2.1 4,-0.9 -5,-0.3 -1,-0.2 0.836 106.2 42.7 -52.0 -37.3 27.3 -9.5 59.7 565 137 B G H S+ 0 0 0 -4,-1.9 5,-1.8 2,-0.2 -2,-0.2 0.914 123.3 37.8 -69.7 -46.0 31.4 -5.6 60.4 567 139 B L H ><5S+ 0 0 8 -4,-4.1 3,-2.0 1,-0.2 -3,-0.2 0.943 117.2 51.9 -71.0 -43.0 29.4 -5.2 57.1 568 140 B G H 3< S+ 0 0 73 207,-0.2 4,-2.8 2,-0.1 5,-0.3 0.562 94.7 89.1 -92.3 -10.1 30.9 -9.3 50.9 576 148 B A H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.939 87.0 44.0 -49.8 -73.4 33.4 -11.0 48.5 577 149 B G H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.911 115.5 47.2 -28.9 -70.9 35.7 -12.3 51.2 578 150 B P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.910 116.0 44.1 -47.1 -54.4 33.0 -13.6 53.5 579 151 B T H X S+ 0 0 5 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.853 114.4 48.7 -65.2 -41.0 31.0 -15.4 50.7 580 152 B V H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.931 116.4 42.3 -62.7 -45.3 34.1 -16.9 49.0 581 153 B Q H X S+ 0 0 2 -4,-2.8 4,-2.8 -46,-0.4 5,-0.2 0.947 115.8 47.8 -69.6 -48.1 35.5 -18.3 52.3 582 154 B I H X S+ 0 0 14 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.854 112.1 54.3 -59.7 -31.4 32.1 -19.5 53.6 583 155 B G H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.3 27,-0.3 0.973 109.7 43.3 -66.3 -56.5 31.7 -21.0 50.1 584 156 B G H X S+ 0 0 0 -4,-2.6 4,-1.9 25,-0.3 -2,-0.2 0.922 114.7 50.7 -54.7 -46.3 34.9 -23.0 50.3 585 157 B N H X S+ 0 0 3 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.871 107.4 53.1 -61.3 -37.6 34.2 -24.0 53.8 586 158 B I H X S+ 0 0 9 -4,-2.1 4,-2.4 -5,-0.2 5,-0.3 0.922 107.2 53.8 -63.2 -39.4 30.7 -25.2 52.8 587 159 B G H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.876 110.2 45.6 -64.2 -33.4 32.4 -27.3 50.2 588 160 B R H X S+ 0 0 74 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.924 109.4 55.4 -74.0 -44.4 34.7 -28.9 52.8 589 161 B M H X S+ 0 0 41 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.889 112.2 42.3 -54.6 -41.5 31.7 -29.5 55.1 590 162 B V H X S+ 0 0 5 -4,-2.4 4,-1.6 2,-0.2 6,-0.3 0.881 111.1 56.0 -74.6 -38.4 29.9 -31.4 52.4 591 163 B L H <>S+ 0 0 12 -4,-1.9 5,-1.2 -5,-0.3 -2,-0.2 0.921 113.5 41.9 -55.5 -44.6 33.0 -33.2 51.4 592 164 B D H ><5S+ 0 0 55 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.915 109.9 56.0 -69.7 -42.8 33.4 -34.4 55.0 593 165 B I H 3<5S+ 0 0 105 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.749 115.9 37.2 -66.4 -22.7 29.7 -35.2 55.5 594 166 B F T 3<5S- 0 0 104 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.246 101.6-132.3-113.6 13.6 29.7 -37.6 52.5 595 167 B R T < 5 - 0 0 226 -3,-1.4 -3,-0.2 1,-0.2 -4,-0.1 0.703 35.7-177.0 41.7 30.8 33.2 -38.9 53.1 596 168 B L < - 0 0 46 -5,-1.2 2,-0.3 -6,-0.3 -1,-0.2 -0.304 14.4-141.4 -55.4 135.6 34.0 -38.4 49.4 597 169 B K + 0 0 201 -3,-0.1 4,-0.3 4,-0.1 2,-0.1 -0.706 45.4 49.2-109.4 157.4 37.5 -39.7 48.8 598 170 B G S > S- 0 0 40 -2,-0.3 4,-0.9 2,-0.1 -2,-0.0 -0.198 77.3 -90.0 107.3 162.4 40.5 -38.5 46.7 599 171 B D H >> S+ 0 0 100 2,-0.2 4,-1.9 1,-0.1 3,-0.6 0.956 118.5 57.1 -68.3 -57.1 42.6 -35.4 45.9 600 172 B E H 3> S+ 0 0 56 1,-0.2 4,-2.7 2,-0.2 42,-0.2 0.868 103.8 51.4 -42.1 -51.0 40.4 -34.3 43.0 601 173 B A H 3> S+ 0 0 4 -4,-0.3 4,-2.6 1,-0.2 5,-0.3 0.868 109.6 49.7 -62.2 -39.6 37.1 -34.1 45.1 602 174 B R H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 3,-0.6 0.919 114.9 52.9 -68.6 -46.6 32.1 -14.9 44.3 615 187 B A H 3X>S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-1.1 0.972 112.3 43.0 -52.1 -54.8 29.3 -15.5 41.8 616 188 B A H 3<5S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.597 111.4 58.7 -73.7 -4.4 26.5 -15.2 44.3 617 189 B A H <<5S+ 0 0 12 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.881 126.5 12.7 -87.7 -41.6 28.3 -12.2 45.8 618 190 B F H <5S- 0 0 7 -4,-2.3 -2,-0.2 -3,-0.3 48,-0.2 0.368 99.1-116.5-113.5 3.0 28.4 -10.0 42.7 619 191 B N T <5S+ 0 0 36 -4,-2.4 -3,-0.2 -5,-0.3 -4,-0.2 0.909 75.2 133.2 58.1 42.8 25.9 -12.0 40.5 620 192 B A >< + 0 0 1 -5,-1.1 4,-2.7 -6,-0.4 5,-0.2 -0.667 28.2 171.3-127.3 75.5 28.9 -12.6 38.2 621 193 B P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.857 81.7 48.3 -50.7 -44.2 29.1 -16.3 37.1 622 194 B L H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.925 112.5 48.9 -68.3 -37.1 31.8 -15.8 34.5 623 195 B A H > S+ 0 0 0 215,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.926 109.1 54.4 -65.6 -45.0 33.9 -13.7 37.0 624 196 B G H X S+ 0 0 0 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.938 111.8 43.0 -52.8 -48.4 33.4 -16.4 39.5 625 197 B I H X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 3,-0.4 0.938 114.0 49.8 -67.5 -43.8 34.7 -19.1 37.2 626 198 B L H X S+ 0 0 0 -4,-2.7 4,-0.5 1,-0.2 5,-0.3 0.824 102.3 62.8 -65.6 -31.7 37.6 -17.0 35.9 627 199 B F H >X>S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-2.0 0.888 105.8 45.3 -58.4 -49.5 38.7 -16.1 39.5 628 200 B I H 3<>S+ 0 0 2 -4,-1.2 5,-2.7 -3,-0.4 -1,-0.2 0.921 115.7 45.9 -59.6 -47.5 39.4 -19.8 40.3 629 201 B I H 3<5S+ 0 0 15 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.380 124.4 32.0 -84.7 9.9 41.3 -20.5 37.0 630 202 B E H <<5S+ 0 0 8 -3,-0.6 -2,-0.2 -4,-0.5 -1,-0.2 0.585 137.4 4.2-130.2 -32.8 43.4 -17.3 37.2 631 203 B E T <5S+ 0 0 0 -4,-2.3 -3,-0.2 -5,-0.3 4,-0.1 0.709 122.6 48.6-121.8 -59.6 44.0 -16.7 40.8 632 204 B M T - 0 0 7 -2,-0.5 4,-1.6 -42,-0.2 3,-0.4 -0.780 10.4-165.0 -90.5 109.1 37.0 -30.1 37.4 643 215 B I H > S+ 0 0 52 -2,-0.8 4,-2.8 1,-0.2 -1,-0.2 0.905 88.3 59.9 -55.0 -47.6 36.0 -27.0 35.5 644 216 B K H > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.843 105.4 48.8 -53.2 -33.2 32.6 -28.5 34.6 645 217 B A H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.888 107.9 52.5 -77.4 -37.4 31.8 -28.9 38.3 646 218 B V H X S+ 0 0 2 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.954 109.1 52.8 -60.8 -47.7 32.8 -25.4 39.1 647 219 B F H X S+ 0 0 8 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.955 108.4 48.6 -49.0 -59.3 30.4 -24.3 36.3 648 220 B I H X S+ 0 0 17 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.880 113.0 48.2 -51.2 -42.5 27.5 -26.3 37.8 649 221 B G H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.935 111.8 48.5 -64.7 -46.9 28.1 -24.9 41.3 650 222 B V H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.964 112.3 49.4 -56.1 -56.4 28.3 -21.3 39.9 651 223 B I H X S+ 0 0 8 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31,-0.1 0.742 110.8 43.4 -98.9 -20.9 33.6 7.7 52.7 741 313 B S S << S+ 0 0 7 -3,-0.6 -170,-0.2 -4,-0.5 3,-0.1 -0.253 84.4 51.8-108.1-167.4 32.1 4.6 54.4 742 314 B G S S- 0 0 20 -172,-2.2 -168,-0.0 1,-0.2 -175,-0.0 0.056 101.2 -59.7 68.7 177.3 30.2 1.5 53.2 743 315 B G - 0 0 24 -171,-0.2 47,-0.3 -176,-0.1 -1,-0.2 0.820 69.6-127.0 -64.4 -30.9 31.0 -1.0 50.5 744 316 B G S >> S+ 0 0 4 -6,-0.1 3,-0.6 46,-0.1 4,-0.6 0.311 78.5 115.0 102.7 -14.0 31.0 1.8 48.0 745 317 B F T >4 S+ 0 0 41 1,-0.2 3,-1.3 2,-0.2 -3,-0.0 0.880 71.2 63.5 -54.8 -39.2 28.6 0.5 45.4 746 318 B N T 3> S+ 0 0 149 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.839 104.2 45.3 -56.1 -38.4 26.1 3.3 46.2 747 319 B L H <> S+ 0 0 7 -3,-0.6 4,-2.1 1,-0.2 -1,-0.3 0.553 95.2 81.2 -85.5 -7.5 28.5 6.0 45.0 748 320 B I H S+ 0 0 42 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.918 115.4 52.1 -57.7 -42.9 26.4 5.0 39.6 750 322 B I H <>S+ 0 0 72 -4,-0.6 5,-1.9 1,-0.2 6,-0.3 0.915 110.6 45.9 -57.8 -49.7 26.6 8.6 40.9 751 323 B A H ><5S+ 0 0 1 -4,-2.1 3,-1.1 1,-0.2 5,-0.2 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38.8-176.4 50.8 34.0 33.7 14.1 22.3 812 384 B L < - 0 0 14 -5,-0.7 2,-0.4 -9,-0.1 -1,-0.1 -0.023 26.7-146.6 -56.8 161.9 34.6 11.9 25.3 813 385 B E >> - 0 0 61 1,-0.1 3,-2.7 -140,-0.0 4,-0.6 -0.958 12.7-141.5-135.3 111.6 32.3 10.8 28.2 814 386 B A H >> S+ 0 0 18 -2,-0.4 3,-1.9 1,-0.3 4,-1.9 0.821 95.8 71.7 -39.5 -40.6 34.0 10.5 31.6 815 387 B G H 3> S+ 0 0 1 -63,-0.3 4,-2.6 1,-0.3 -1,-0.3 0.705 88.4 59.4 -54.9 -23.7 32.0 7.4 32.3 816 388 B T H <> S+ 0 0 2 -3,-2.7 4,-1.7 2,-0.2 -1,-0.3 0.817 109.3 44.8 -78.0 -24.8 33.9 5.3 29.9 817 389 B F H X S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 4,-0.7 0.741 92.5 85.0 -83.5 -28.8 39.1 2.1 35.8 822 394 B M H 3< S+ 0 0 1 -4,-2.2 -30,-0.3 1,-0.3 -29,-0.3 0.793 105.7 27.6 -42.6 -36.8 36.5 0.3 37.8 823 395 B G T 3X S+ 0 0 1 -4,-0.6 4,-0.8 -3,-0.3 -1,-0.3 0.298 97.4 92.9-111.0 6.0 38.4 -3.0 37.4 824 396 B A H <> S+ 0 0 0 -3,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.758 83.7 52.9 -71.6 -28.5 41.9 -1.5 37.0 825 397 B L H X>S+ 0 0 2 -4,-0.7 4,-2.7 -37,-0.3 5,-0.6 0.816 103.4 55.6 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37.6 -7.1 33.3 838 410 B I H X S+ 0 0 1 -4,-2.5 4,-2.7 -5,-0.2 -215,-0.2 0.838 111.7 52.6 -65.1 -33.0 35.0 -9.8 33.2 839 411 B L H X S+ 0 0 3 -4,-1.9 4,-1.2 -5,-0.2 -2,-0.2 0.974 111.7 44.7 -66.6 -47.9 33.5 -8.8 36.5 840 412 B V H >X S+ 0 0 2 -4,-2.9 4,-3.0 1,-0.2 3,-1.0 0.935 113.6 51.5 -59.2 -51.5 33.1 -5.2 35.4 841 413 B L H 3X S+ 0 0 6 -4,-2.8 4,-2.7 1,-0.3 5,-0.2 0.947 110.2 49.1 -46.5 -58.2 31.7 -6.4 32.1 842 414 B E H 3< S+ 0 0 10 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.644 118.2 39.8 -59.5 -20.5 29.1 -8.6 33.9 843 415 B M H << S+ 0 0 19 -4,-1.2 -176,-0.3 -3,-1.0 -1,-0.2 0.790 125.1 31.8-101.1 -34.9 28.1 -5.7 36.2 844 416 B T H < S- 0 0 7 -4,-3.0 -175,-0.2 -5,-0.2 -3,-0.2 0.702 86.0-149.6 -95.2 -21.6 28.0 -2.7 33.8 845 417 B D < + 0 0 48 -4,-2.7 -3,-0.1 -5,-0.5 -4,-0.1 0.933 51.1 131.6 49.4 58.0 27.0 -4.5 30.6 846 418 B N > + 0 0 1 -5,-0.2 3,-2.7 1,-0.1 -1,-0.1 -0.472 20.4 165.2-133.2 58.3 28.9 -2.2 28.2 847 419 B Y G > + 0 0 24 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.684 67.4 72.7 -52.9 -18.4 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33.1 858 430 B L H X S+ 0 0 5 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.834 108.0 54.6 -72.0 -34.8 46.7 -4.6 31.1 859 431 B G H X S+ 0 0 6 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.878 109.1 51.0 -63.0 -38.5 48.6 -1.3 31.5 860 432 B A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.960 110.6 45.3 -61.6 -57.6 48.1 -1.6 35.2 861 433 B T H X S+ 0 0 2 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.756 114.4 52.0 -61.2 -23.4 49.4 -5.2 35.5 862 434 B L H X S+ 0 0 40 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.887 112.2 42.6 -80.0 -40.7 52.3 -4.2 33.3 863 435 B L H < S+ 0 0 48 -4,-2.1 4,-0.3 -176,-0.2 -2,-0.2 0.831 108.7 58.2 -77.0 -31.8 53.4 -1.2 35.3 864 436 B A H <>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 -1,-0.2 0.791 107.2 50.4 -67.2 -27.1 52.9 -3.0 38.7 865 437 B Q H ><5S+ 0 0 41 -4,-0.6 3,-1.6 -5,-0.2 -2,-0.2 0.916 109.4 48.0 -77.5 -40.5 55.4 -5.6 37.5 866 438 B F T 3<5S+ 0 0 84 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.470 112.7 52.0 -82.0 3.4 58.0 -3.0 36.4 867 439 B T T 3 5S- 0 0 68 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.139 117.8-109.3-119.9 19.1 57.5 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