==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 18-NOV-07 3BEH . COMPND 2 MOLECULE: MLL3241 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MESORHIZOBIUM LOTI; . AUTHOR G.M.CLAYTON,J.H.MORAIS-CABRAL . 895 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43056.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 660 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 16 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 547 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 7 0 0 0 0 0 4 0 4 0 0 1 1 0 0 2 2 0 0 0 0 0 3 3 0 0 6 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 7 A L 0 0 127 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -54.5 61.3 -27.0 31.1 2 8 A R + 0 0 93 2,-0.1 3,-0.4 3,-0.1 0, 0.0 0.822 360.0 33.8 -95.7 -42.6 64.8 -26.7 32.5 3 9 A I S S+ 0 0 81 1,-0.2 6,-0.2 2,-0.1 102,-0.1 0.704 117.5 56.5 -82.9 -24.3 66.7 -25.8 29.3 4 10 A Y S S+ 0 0 58 1,-0.2 -1,-0.2 5,-0.1 -2,-0.1 0.327 87.2 84.5 -87.8 5.4 63.6 -23.9 28.0 5 11 A A S S+ 0 0 68 -3,-0.4 2,-0.5 2,-0.0 -1,-0.2 0.915 75.0 69.2 -75.6 -48.3 63.7 -21.7 31.2 6 12 A P S >> S- 0 0 37 0, 0.0 3,-0.8 0, 0.0 4,-0.7 -0.663 80.2-144.2 -71.1 124.8 66.2 -19.1 29.9 7 13 A L H 3> S+ 0 0 104 -2,-0.5 4,-3.5 1,-0.2 5,-0.4 0.579 79.6 95.8 -67.1 -11.2 64.5 -17.2 27.2 8 14 A N H 3> S+ 0 0 8 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.890 96.3 27.9 -44.3 -54.9 67.7 -16.9 25.2 9 15 A A H <> S+ 0 0 35 -3,-0.8 4,-0.7 -6,-0.2 -1,-0.2 0.817 121.4 54.9 -79.3 -33.7 67.0 -19.9 23.0 10 16 A V H >< S+ 0 0 62 -4,-0.7 3,-0.8 1,-0.2 -2,-0.2 0.905 104.8 51.5 -69.1 -44.3 63.2 -19.6 23.2 11 17 A L H 3X S+ 0 0 39 -4,-3.5 4,-1.1 1,-0.2 -1,-0.2 0.740 100.5 65.1 -65.5 -25.9 63.0 -16.0 22.0 12 18 A A H 3X S+ 0 0 0 -4,-0.5 4,-3.3 -5,-0.4 5,-0.3 0.837 91.8 65.6 -64.7 -34.3 65.2 -16.9 19.0 13 19 A A H S+ 0 0 51 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.755 118.9 59.8 -69.8 -20.5 59.7 -16.5 16.9 15 21 A G H X S+ 0 0 0 -4,-1.1 4,-1.2 2,-0.2 -2,-0.2 0.935 108.7 39.7 -67.9 -49.8 62.6 -14.1 16.1 16 22 A L H X S+ 0 0 21 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.824 114.1 55.2 -70.6 -33.1 64.0 -16.2 13.3 17 23 A L H X S+ 0 0 121 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.851 105.3 53.3 -64.3 -36.5 60.5 -17.1 12.1 18 24 A A H X S+ 0 0 0 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.816 106.8 51.8 -68.2 -33.5 59.8 -13.3 11.8 19 25 A V H X S+ 0 0 0 -4,-1.2 4,-0.6 2,-0.2 -2,-0.2 0.919 113.4 44.3 -65.8 -45.6 62.9 -12.9 9.7 20 26 A A H < S+ 0 0 6 -4,-2.0 4,-0.5 1,-0.2 3,-0.4 0.811 108.9 59.3 -66.7 -31.9 61.6 -15.7 7.4 21 27 A A H >< S+ 0 0 18 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.852 100.7 53.1 -67.9 -36.6 58.1 -14.2 7.5 22 28 A L H 3< S+ 0 0 17 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.679 99.7 62.8 -75.3 -18.7 59.2 -10.8 6.0 23 29 A T T 3< S+ 0 0 14 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.677 79.4 104.0 -77.8 -19.4 60.9 -12.5 3.0 24 30 A I S < S- 0 0 61 -3,-0.7 3,-0.2 -4,-0.5 352,-0.1 -0.484 75.3-125.3 -65.5 124.7 57.5 -13.9 1.8 25 31 A P S S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.371 84.5 27.4 -69.8 153.7 56.2 -11.9 -1.1 26 32 A D S S+ 0 0 165 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.965 79.7 169.4 58.8 61.8 52.6 -10.4 -1.0 27 33 A M - 0 0 61 -3,-0.2 -1,-0.2 -5,-0.1 2,-0.1 -0.764 38.9-101.2-102.2 149.9 52.2 -9.9 2.7 28 34 A S > - 0 0 62 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.440 25.2-126.4 -68.2 139.2 49.5 -7.9 4.5 29 35 A G H > S+ 0 0 55 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.809 109.9 56.9 -54.3 -35.0 50.5 -4.4 5.7 30 36 A R H > S+ 0 0 229 2,-0.2 4,-2.8 1,-0.2 3,-0.2 0.981 112.8 37.0 -57.9 -61.9 49.3 -5.3 9.1 31 37 A S H > S+ 0 0 44 2,-0.2 4,-3.7 1,-0.2 5,-0.4 0.899 110.2 62.1 -60.6 -45.3 51.6 -8.4 9.5 32 38 A R H X S+ 0 0 98 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.896 114.6 35.0 -46.8 -48.1 54.4 -6.6 7.7 33 39 A L H X S+ 0 0 135 -4,-1.7 4,-2.3 -3,-0.2 -1,-0.2 0.894 117.0 54.6 -71.3 -43.7 54.4 -4.0 10.5 34 40 A A H X S+ 0 0 55 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.905 106.9 49.3 -59.3 -47.1 53.5 -6.5 13.2 35 41 A L H X S+ 0 0 36 -4,-3.7 4,-1.6 2,-0.2 -1,-0.2 0.854 111.0 50.6 -61.8 -38.3 56.4 -8.9 12.4 36 42 A A H X S+ 0 0 23 -4,-1.0 4,-1.9 -5,-0.4 -1,-0.2 0.908 108.9 51.6 -64.0 -43.5 58.9 -6.0 12.5 37 43 A A H X S+ 0 0 54 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.843 107.0 53.8 -61.7 -36.5 57.4 -4.9 15.9 38 44 A L H X S+ 0 0 68 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.868 107.7 50.4 -64.1 -38.8 58.0 -8.5 17.1 39 45 A L H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.849 109.0 51.9 -67.0 -36.2 61.6 -8.2 16.0 40 46 A A H X S+ 0 0 45 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.883 110.4 47.3 -67.7 -41.2 62.0 -4.9 17.9 41 47 A V H X S+ 0 0 106 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.933 113.0 48.1 -64.9 -47.7 60.6 -6.4 21.1 42 48 A I H X S+ 0 0 4 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.853 110.7 52.9 -61.4 -36.2 62.9 -9.4 20.8 43 49 A W H X S+ 0 0 51 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.926 109.4 47.9 -62.1 -46.8 65.8 -7.0 20.2 44 50 A G H X S+ 0 0 30 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.809 107.8 56.7 -64.2 -32.5 64.9 -5.1 23.3 45 51 A A H X S+ 0 0 33 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.916 107.7 46.8 -63.3 -45.0 64.7 -8.4 25.2 46 52 A Y H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.713 106.8 59.1 -71.6 -22.0 68.3 -9.2 24.2 47 53 A L H X S+ 0 0 79 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.895 107.0 45.8 -69.3 -42.7 69.4 -5.7 25.2 48 54 A L H X S+ 0 0 125 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.856 113.0 51.6 -64.6 -37.1 68.1 -6.4 28.7 49 55 A Q H X S+ 0 0 43 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.882 107.7 51.9 -64.0 -42.1 70.0 -9.8 28.5 50 56 A L H X S+ 0 0 27 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.863 107.3 53.3 -62.1 -38.9 73.2 -8.0 27.4 51 57 A A H X S+ 0 0 40 -4,-1.8 4,-1.8 1,-0.2 3,-0.4 0.864 107.1 50.6 -66.4 -39.2 72.9 -5.6 30.4 52 58 A A H X S+ 0 0 56 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.875 111.6 47.4 -66.6 -39.5 72.7 -8.5 32.9 53 59 A T H < S+ 0 0 43 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.555 116.1 45.2 -81.5 -9.5 75.7 -10.3 31.4 54 60 A L H < S+ 0 0 97 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.718 116.6 41.4-100.3 -29.6 77.8 -7.1 31.4 55 61 A L H < S+ 0 0 135 -4,-1.8 2,-0.4 -5,-0.1 -2,-0.2 0.755 97.3 81.4 -93.0 -28.3 77.0 -5.7 34.9 56 62 A K < + 0 0 204 -4,-1.5 -4,-0.0 -5,-0.2 0, 0.0 -0.695 36.0 142.5 -85.2 126.8 77.1 -8.9 36.9 57 63 A R + 0 0 183 -2,-0.4 -1,-0.1 0, 0.0 -4,-0.0 0.284 44.9 97.5-138.8 1.7 80.6 -10.1 38.0 58 64 A R + 0 0 98 1,-0.1 2,-0.9 0, 0.0 -2,-0.0 0.724 57.6 94.6 -70.7 -25.4 79.8 -11.5 41.5 59 65 A A S S- 0 0 83 2,-0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.600 96.7 -21.4 -76.7 104.7 79.6 -15.1 40.5 60 66 A G - 0 0 57 -2,-0.9 3,-0.1 2,-0.0 0, 0.0 0.028 65.5-109.2 83.4 166.8 83.0 -16.7 41.0 61 67 A V S S+ 0 0 148 1,-0.3 2,-0.4 0, 0.0 -2,-0.0 0.884 93.9 5.8 -96.2 -62.1 86.5 -15.2 41.3 62 68 A V S S+ 0 0 134 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.977 82.5 114.8-132.8 119.1 88.3 -16.2 38.1 63 69 A R - 0 0 188 -2,-0.4 2,-0.4 -3,-0.1 -3,-0.0 -0.759 54.8 -93.1-152.9-159.8 86.7 -18.0 35.1 64 70 A D + 0 0 110 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.999 34.4 158.4-136.4 135.0 85.8 -17.5 31.4 65 71 A R > + 0 0 40 -2,-0.4 4,-1.7 2,-0.1 5,-0.1 -0.055 34.2 127.7-141.4 33.4 82.6 -16.3 29.8 66 72 A T H > S+ 0 0 85 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.895 70.4 48.6 -64.0 -48.7 83.8 -15.1 26.4 67 73 A P H > S+ 0 0 86 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.895 112.3 49.1 -63.1 -40.3 81.5 -17.0 24.0 68 74 A K H > S+ 0 0 93 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.862 113.2 47.4 -65.6 -38.6 78.3 -16.0 25.9 69 75 A I H X S+ 0 0 71 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.933 110.6 52.7 -63.9 -47.6 79.4 -12.4 25.9 70 76 A A H X S+ 0 0 44 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.846 111.3 46.1 -57.7 -39.2 80.3 -12.6 22.2 71 77 A I H X S+ 0 0 21 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.902 113.1 48.4 -72.3 -43.1 76.8 -13.9 21.3 72 78 A D H X S+ 0 0 0 -4,-1.9 4,-0.5 2,-0.2 -2,-0.2 0.852 114.0 47.7 -64.5 -37.2 75.0 -11.4 23.5 73 79 A V H >X S+ 0 0 46 -4,-2.5 4,-2.4 1,-0.2 3,-0.8 0.920 114.2 45.3 -69.3 -46.3 77.0 -8.5 21.9 74 80 A L H 3X S+ 0 0 75 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.795 104.6 63.8 -68.3 -29.7 76.4 -9.7 18.4 75 81 A A H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.704 116.5 27.9 -68.5 -21.6 72.7 -10.3 19.0 76 82 A V H S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.924 112.9 56.1 -63.4 -41.4 70.7 -5.7 14.0 80 86 A L H X S+ 0 0 65 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.844 106.3 50.6 -56.5 -38.5 71.3 -2.2 15.5 81 87 A A H X S+ 0 0 41 -4,-2.4 4,-3.3 2,-0.2 5,-0.4 0.877 111.3 48.0 -66.7 -39.6 73.8 -1.5 12.6 82 88 A A H < S+ 0 0 5 -4,-1.6 4,-0.4 2,-0.2 -2,-0.2 0.841 106.6 57.6 -69.1 -36.6 71.1 -2.7 10.1 83 89 A F H < S+ 0 0 89 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.902 119.0 31.7 -55.2 -42.9 68.5 -0.5 11.8 84 90 A L H < S+ 0 0 143 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.878 131.4 28.8 -86.6 -43.2 70.8 2.5 11.2 85 91 A L S < S+ 0 0 152 -4,-3.3 2,-0.4 -5,-0.1 -3,-0.2 0.948 100.4 75.7 -87.1 -55.4 72.5 1.6 7.9 86 92 A D + 0 0 35 -4,-0.4 5,-0.1 -5,-0.4 -1,-0.1 -0.481 43.1 169.8 -73.5 116.6 70.2 -0.6 5.8 87 93 A G + 0 0 81 -2,-0.4 -1,-0.2 3,-0.0 -5,-0.0 0.717 55.2 84.9 -94.6 -27.9 67.4 1.3 4.2 88 94 A S S > S- 0 0 56 1,-0.1 3,-1.6 2,-0.0 -2,-0.0 -0.274 99.2 -99.6 -70.5 160.7 66.2 -1.6 2.0 89 95 A P G > S+ 0 0 89 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.553 112.5 84.4 -59.0 -6.6 63.7 -4.3 3.2 90 96 A D G > + 0 0 45 1,-0.2 3,-1.3 2,-0.1 4,-0.4 0.458 60.6 95.7 -75.0 -1.7 66.8 -6.5 3.7 91 97 A W G X S+ 0 0 56 -3,-1.6 3,-1.1 1,-0.3 -1,-0.2 0.834 77.1 57.1 -57.4 -36.7 67.4 -4.9 7.1 92 98 A S G X S+ 0 0 5 -3,-0.8 3,-1.2 1,-0.2 -1,-0.3 0.583 87.7 75.8 -77.8 -11.7 65.6 -7.7 9.0 93 99 A L G X S+ 0 0 19 -3,-1.3 3,-1.4 1,-0.2 -1,-0.2 0.738 82.9 68.7 -68.6 -23.6 67.9 -10.4 7.5 94 100 A Y G X S+ 0 0 112 -3,-1.1 3,-0.7 -4,-0.4 -1,-0.2 0.467 81.0 75.5 -77.2 -1.8 70.6 -9.3 10.0 95 101 A C G X + 0 0 2 -3,-1.2 3,-1.7 1,-0.2 -1,-0.3 0.480 69.5 88.4 -83.8 -4.9 68.5 -10.6 12.8 96 102 A A G X + 0 0 10 -3,-1.4 3,-1.0 1,-0.3 -1,-0.2 0.418 63.2 85.8 -72.2 1.6 69.6 -14.1 11.7 97 103 A V G X + 0 0 32 -3,-0.7 3,-2.0 1,-0.3 -1,-0.3 0.709 69.0 79.1 -70.8 -20.2 72.5 -13.5 14.1 98 104 A W G < + 0 0 0 -3,-1.7 3,-0.4 1,-0.3 -1,-0.3 0.345 66.9 88.8 -69.9 8.0 70.1 -14.8 16.7 99 105 A L G < S+ 0 0 17 -3,-1.0 4,-0.5 1,-0.2 -1,-0.3 0.660 82.0 58.0 -73.0 -19.4 71.1 -18.2 15.2 100 106 A L S <> S+ 0 0 57 -3,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.589 90.1 76.7 -81.4 -13.6 73.9 -18.0 17.9 101 107 A K H > S+ 0 0 0 -3,-0.4 4,-0.9 2,-0.2 -2,-0.2 0.843 91.6 47.2 -72.1 -39.0 71.2 -17.8 20.6 102 108 A P H 4 S+ 0 0 19 0, 0.0 -1,-0.2 0, 0.0 -93,-0.1 0.857 115.8 48.1 -65.8 -33.7 70.1 -21.4 20.7 103 109 A L H >4 S+ 0 0 40 -4,-0.5 3,-0.7 1,-0.1 -2,-0.2 0.762 101.7 70.8 -73.1 -27.5 73.8 -22.4 20.8 104 110 A R H 3< S+ 0 0 24 -4,-1.3 2,-1.0 1,-0.3 -3,-0.1 0.968 105.3 27.2 -56.6 -70.9 74.5 -19.8 23.6 105 111 A D T 3< S+ 0 0 55 -4,-0.9 2,-0.3 -99,-0.1 -1,-0.3 -0.520 104.4 93.6 -99.5 64.7 72.9 -21.3 26.7 106 112 A S < - 0 0 46 -2,-1.0 3,-0.4 -3,-0.7 -103,-0.0 -0.970 61.4-136.6-154.2 139.4 73.0 -25.0 25.8 107 113 A T S S+ 0 0 78 -2,-0.3 2,-1.5 1,-0.2 -2,-0.0 0.165 78.7 67.3 -74.8-160.1 75.4 -27.9 26.5 108 114 A F S > S+ 0 0 0 1,-0.2 4,-3.7 237,-0.0 5,-0.2 -0.146 90.9 76.3 71.9 -41.5 76.5 -30.5 24.0 109 115 A F H > S+ 0 0 39 -2,-1.5 4,-1.5 -3,-0.4 -1,-0.2 0.835 90.3 51.2 -71.0 -36.2 78.4 -27.7 22.1 110 116 A P H > S+ 0 0 79 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.812 116.6 44.4 -63.4 -29.1 81.2 -27.6 24.7 111 117 A V H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -2,-0.3 0.927 110.1 52.5 -75.6 -49.7 81.3 -31.4 24.1 112 118 A L H X S+ 0 0 20 -4,-3.7 4,-1.7 1,-0.2 -3,-0.2 0.779 106.4 58.3 -56.0 -30.1 81.0 -31.1 20.3 113 119 A G H X S+ 0 0 40 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.975 111.3 36.6 -63.0 -57.8 84.0 -28.7 20.4 114 120 A R H X S+ 0 0 112 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.745 112.9 59.1 -71.9 -25.1 86.4 -31.1 22.0 115 121 A V H X S+ 0 0 0 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.914 111.1 41.8 -66.6 -44.0 85.1 -34.1 20.1 116 122 A L H < S+ 0 0 80 -4,-1.7 -2,-0.2 -5,-0.2 7,-0.2 0.827 115.7 51.6 -67.1 -34.2 86.0 -32.3 16.9 117 123 A A H >< S+ 0 0 64 -4,-1.8 3,-0.9 1,-0.2 4,-0.3 0.856 105.8 53.6 -71.3 -37.9 89.3 -31.2 18.5 118 124 A N H 3< S+ 0 0 73 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.804 121.7 30.7 -66.0 -31.9 90.2 -34.8 19.5 119 125 A E T 3X S+ 0 0 17 -4,-1.1 4,-3.0 -5,-0.1 -1,-0.2 0.009 83.5 124.6-115.4 25.0 89.7 -36.0 15.9 120 126 A A H <> S+ 0 0 42 -3,-0.9 4,-1.7 1,-0.2 5,-0.2 0.887 76.8 44.9 -53.0 -49.1 90.8 -32.7 14.3 121 127 A R H > S+ 0 0 109 -4,-0.3 4,-1.4 1,-0.2 662,-0.2 0.907 116.2 47.6 -62.3 -44.5 93.5 -34.4 12.2 122 128 A N H > S+ 0 0 10 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.887 110.1 50.9 -63.4 -43.6 91.2 -37.3 11.2 123 129 A L H X S+ 0 0 12 -4,-3.0 4,-1.6 -7,-0.2 -1,-0.2 0.879 110.1 46.9 -68.9 -42.2 88.2 -35.1 10.2 124 130 A I H X S+ 0 0 110 -4,-1.7 4,-2.8 -5,-0.2 5,-0.2 0.866 108.7 58.7 -64.8 -36.6 90.1 -32.7 7.9 125 131 A G H X S+ 0 0 2 -4,-1.4 4,-1.4 -5,-0.2 -2,-0.2 0.813 104.6 49.0 -62.0 -34.6 91.7 -35.8 6.3 126 132 A V H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.887 111.4 50.4 -69.8 -41.2 88.3 -37.2 5.4 127 133 A T H X S+ 0 0 50 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.919 111.5 46.5 -63.0 -46.8 87.3 -33.9 3.9 128 134 A T H X S+ 0 0 51 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.823 111.7 52.4 -67.0 -31.4 90.5 -33.7 1.8 129 135 A L H X S+ 0 0 31 -4,-1.4 4,-2.6 -5,-0.2 5,-0.3 0.920 108.3 51.3 -64.4 -44.3 89.9 -37.3 0.8 130 136 A F H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.884 111.1 48.6 -58.5 -41.7 86.4 -36.2 -0.3 131 137 A G H X S+ 0 0 34 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.917 111.9 46.9 -65.8 -47.6 87.8 -33.4 -2.3 132 138 A V H X S+ 0 0 24 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.944 116.8 43.7 -60.0 -50.7 90.4 -35.5 -4.1 133 139 A V H X S+ 0 0 38 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.902 111.5 55.5 -61.4 -43.5 87.9 -38.2 -4.9 134 140 A L H X S+ 0 0 16 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.916 114.0 40.3 -53.1 -48.5 85.4 -35.6 -6.0 135 141 A F H X S+ 0 0 12 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.949 114.2 50.9 -67.6 -52.4 87.8 -34.1 -8.4 136 142 A A H X S+ 0 0 39 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.889 114.0 45.6 -53.8 -44.8 89.2 -37.4 -9.7 137 143 A V H X S+ 0 0 18 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.893 113.4 48.9 -65.7 -43.4 85.7 -38.7 -10.4 138 144 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.894 110.9 50.8 -64.4 -41.4 84.6 -35.4 -12.0 139 145 A L H X S+ 0 0 33 -4,-3.2 4,-1.6 2,-0.2 -2,-0.2 0.910 112.7 47.2 -59.6 -44.7 87.7 -35.5 -14.2 140 146 A A H X S+ 0 0 34 -4,-2.1 4,-1.7 -5,-0.2 3,-0.4 0.970 112.1 47.7 -60.7 -55.9 86.9 -39.1 -15.2 141 147 A A H X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.757 108.0 58.7 -59.0 -28.7 83.2 -38.3 -15.9 142 148 A Y H X S+ 0 0 18 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.936 106.2 45.2 -65.6 -49.4 84.3 -35.3 -18.0 143 149 A V H < S+ 0 0 75 -4,-1.6 4,-0.2 -3,-0.4 -2,-0.2 0.838 119.1 42.8 -65.3 -34.6 86.4 -37.3 -20.5 144 150 A I H < S+ 0 0 65 -4,-1.7 4,-0.2 -5,-0.1 -1,-0.2 0.840 125.8 28.4 -81.0 -35.7 83.7 -40.0 -20.9 145 151 A E H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.2 8,-0.3 0.481 89.9 95.6-109.8 -5.2 80.6 -37.9 -21.2 146 152 A R T < S+ 0 0 56 -4,-1.7 7,-0.2 1,-0.2 -1,-0.1 0.798 87.4 44.5 -63.3 -35.2 81.8 -34.5 -22.7 147 153 A D T 4 S+ 0 0 134 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.915 117.2 42.1 -77.3 -45.3 81.0 -35.2 -26.3 148 154 A I T 4 S+ 0 0 87 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.767 128.4 30.2 -74.4 -28.6 77.5 -36.8 -25.9 149 155 A Q X + 0 0 18 -4,-2.0 4,-2.9 1,-0.1 -1,-0.3 -0.686 62.4 160.7-133.1 81.4 76.4 -34.2 -23.3 150 156 A P H > S+ 0 0 73 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.789 80.5 52.0 -70.3 -28.5 78.1 -30.8 -23.8 151 157 A E H 4 S+ 0 0 140 2,-0.1 -5,-0.1 1,-0.1 -2,-0.0 0.732 122.8 28.4 -76.5 -24.7 75.5 -29.0 -21.7 152 158 A K H 4 S+ 0 0 80 -3,-0.2 10,-0.2 -7,-0.2 3,-0.1 0.782 138.6 17.1-107.3 -38.2 75.9 -31.3 -18.8 153 159 A F H < S+ 0 0 0 -4,-2.9 -2,-0.1 -8,-0.3 -8,-0.1 0.036 83.2 118.6-127.5 25.1 79.5 -32.6 -18.9 154 160 A G S < S+ 0 0 11 -4,-0.7 2,-0.3 -5,-0.1 -1,-0.1 0.602 80.6 23.9 -70.2 -14.0 81.2 -30.1 -21.2 155 161 A S S > S- 0 0 6 -3,-0.1 4,-2.0 1,-0.1 3,-0.3 -0.964 81.3-109.2-146.6 161.6 83.6 -28.9 -18.5 156 162 A I H > S+ 0 0 0 539,-0.4 4,-2.7 -2,-0.3 5,-0.2 0.938 118.2 52.2 -56.5 -51.3 85.3 -30.1 -15.3 157 163 A P H > S+ 0 0 37 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.788 109.2 51.8 -58.4 -28.0 83.2 -27.7 -13.1 158 164 A Q H > S+ 0 0 63 -3,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.883 112.8 43.0 -72.5 -41.7 80.1 -29.1 -14.8 159 165 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.778 109.3 60.0 -71.6 -28.7 81.1 -32.7 -14.0 160 166 A M H X S+ 0 0 48 -4,-2.7 4,-1.9 2,-0.2 5,-0.2 0.848 100.4 55.0 -65.2 -36.2 82.1 -31.4 -10.5 161 167 A W H X S+ 0 0 14 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.913 112.0 42.9 -61.4 -45.1 78.5 -30.3 -10.0 162 168 A W H X S+ 0 0 0 -4,-1.2 4,-3.1 -10,-0.2 5,-0.2 0.891 109.2 60.3 -63.2 -42.8 77.4 -33.9 -10.8 163 169 A A H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.840 108.6 40.9 -58.8 -41.2 80.2 -35.3 -8.7 164 170 A V H X S+ 0 0 15 -4,-1.9 4,-2.7 2,-0.2 6,-0.5 0.949 115.0 52.0 -70.9 -51.4 79.0 -33.7 -5.4 165 171 A V H <>S+ 0 0 0 -4,-1.8 6,-2.8 -5,-0.2 5,-1.1 0.900 120.6 34.9 -46.2 -47.8 75.4 -34.4 -6.2 166 172 A T H ><5S+ 0 0 0 -4,-3.1 3,-1.3 4,-0.2 -2,-0.2 0.936 118.9 46.8 -78.3 -50.3 76.3 -38.1 -6.8 167 173 A L H 3<5S+ 0 0 1 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.841 112.1 50.0 -66.0 -36.3 79.1 -38.7 -4.2 168 174 A S T 3<5S- 0 0 0 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.448 113.8-124.5 -78.3 -0.7 77.1 -37.0 -1.4 169 175 A T T < 5S+ 0 0 2 -3,-1.3 -3,-0.2 -5,-0.2 -2,-0.1 0.638 81.5 117.2 63.8 19.1 74.3 -39.3 -2.5 170 176 A T < + 0 0 0 -5,-1.1 -4,-0.2 -6,-0.5 -5,-0.1 0.967 42.5 174.0 -74.4 -57.8 72.0 -36.4 -3.0 171 177 A G - 0 0 0 -6,-2.8 -5,-0.1 -9,-0.2 -9,-0.1 0.950 14.1-172.6 52.6 79.6 71.6 -36.9 -6.7 172 178 A Y - 0 0 4 -10,-0.1 -10,-0.0 222,-0.1 223,-0.0 0.987 34.6-121.2 -63.6 -63.0 69.0 -34.5 -8.1 173 179 A G S S+ 0 0 28 2,-0.2 3,-0.1 675,-0.1 674,-0.1 0.340 82.5 108.9 131.5 0.3 68.6 -35.7 -11.6 174 180 A D S S+ 0 0 51 1,-0.2 2,-0.4 -22,-0.0 -12,-0.1 0.715 87.5 38.2 -75.4 -22.9 69.6 -32.7 -13.7 175 181 A T S S+ 0 0 8 -14,-0.1 -1,-0.2 -13,-0.1 -2,-0.2 -0.967 70.7 161.0-131.7 116.6 72.8 -34.4 -14.7 176 182 A I - 0 0 32 -2,-0.4 7,-0.1 -3,-0.1 -24,-0.1 -0.994 39.0-116.7-136.5 126.7 72.9 -38.2 -15.4 177 183 A P - 0 0 0 0, 0.0 -32,-0.0 0, 0.0 -2,-0.0 -0.321 23.9-170.4 -60.9 143.5 75.6 -40.1 -17.4 178 184 A Q + 0 0 113 -33,-0.0 -33,-0.1 -29,-0.0 5,-0.0 0.832 56.1 80.4-103.0 -47.3 74.4 -41.7 -20.6 179 185 A S S > S- 0 0 34 1,-0.1 4,-2.2 -35,-0.1 5,-0.2 -0.283 80.9-122.0 -67.0 148.7 77.2 -44.0 -21.8 180 186 A F H > S+ 0 0 159 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.907 114.1 50.5 -54.5 -47.7 77.7 -47.5 -20.3 181 187 A A H > S+ 0 0 59 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.879 112.6 46.9 -59.5 -41.3 81.3 -46.6 -19.3 182 188 A G H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.817 111.6 51.5 -69.7 -32.8 80.1 -43.4 -17.6 183 189 A R H X S+ 0 0 69 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.839 105.4 53.2 -76.1 -35.5 77.3 -45.2 -15.8 184 190 A V H X S+ 0 0 85 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.891 111.6 48.3 -64.3 -39.8 79.5 -47.9 -14.3 185 191 A L H X S+ 0 0 36 -4,-1.4 4,-2.3 -5,-0.2 -2,-0.2 0.949 108.0 54.9 -59.8 -50.0 81.6 -45.0 -13.0 186 192 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.898 108.7 47.5 -51.4 -48.2 78.4 -43.3 -11.7 187 193 A G H X S+ 0 0 7 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.891 111.1 51.1 -59.5 -43.1 77.5 -46.5 -9.7 188 194 A A H X S+ 0 0 51 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.808 108.2 52.5 -65.8 -32.0 81.1 -46.8 -8.3 189 195 A V H X S+ 0 0 2 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.880 108.4 50.7 -68.9 -39.5 80.9 -43.1 -7.2 190 196 A M H X S+ 0 0 0 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.876 110.2 50.6 -65.3 -39.7 77.6 -43.9 -5.4 191 197 A M H >X S+ 0 0 49 -4,-2.0 4,-1.1 1,-0.2 3,-0.9 0.971 108.7 49.0 -59.5 -58.0 79.2 -46.9 -3.7 192 198 A S H 3X S+ 0 0 47 -4,-2.2 4,-1.7 1,-0.3 -1,-0.2 0.734 103.9 64.3 -57.4 -24.8 82.3 -44.9 -2.5 193 199 A G H 3X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 -1,-0.3 0.928 97.9 52.7 -61.3 -47.5 79.8 -42.3 -1.2 194 200 A I H S+ 0 0 106 -2,-1.4 4,-1.1 3,-0.1 -2,-0.1 0.890 73.7 20.8 -96.8 -66.5 50.4 -62.3 18.8 229 14 B N H > S+ 0 0 2 -3,-0.3 4,-1.6 1,-0.2 5,-0.1 0.797 121.5 59.6 -75.6 -31.6 49.1 -58.7 18.6 230 15 B A H > S+ 0 0 39 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.828 104.0 51.1 -67.1 -34.5 51.7 -57.6 16.0 231 16 B V H 4 S+ 0 0 83 2,-0.2 3,-0.4 1,-0.2 -1,-0.2 0.886 109.4 50.2 -68.8 -40.7 50.6 -60.3 13.5 232 17 B L H X S+ 0 0 59 -4,-1.1 4,-1.3 1,-0.2 -2,-0.2 0.823 106.4 56.1 -67.0 -33.1 46.9 -59.2 13.9 233 18 B A H X S+ 0 0 0 -4,-1.6 4,-3.1 1,-0.2 5,-0.3 0.781 95.0 70.8 -68.8 -27.9 47.9 -55.5 13.3 234 19 B A H X S+ 0 0 52 -4,-0.9 4,-1.3 -3,-0.4 -2,-0.2 0.943 107.5 29.7 -59.5 -57.5 49.6 -56.4 10.0 235 20 B P H > S+ 0 0 55 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.851 119.2 59.8 -71.1 -31.1 46.5 -57.2 7.9 236 21 B G H X S+ 0 0 0 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.931 109.4 39.5 -58.4 -51.5 44.5 -54.7 9.9 237 22 B L H X S+ 0 0 17 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.761 114.9 54.3 -73.2 -26.4 46.7 -51.8 9.0 238 23 B L H X S+ 0 0 117 -4,-1.3 4,-1.6 -5,-0.3 -2,-0.2 0.819 106.4 52.6 -71.5 -33.2 46.9 -53.0 5.5 239 24 B A H X S+ 0 0 1 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.867 104.8 54.8 -68.1 -38.6 43.1 -53.1 5.3 240 25 B V H X S+ 0 0 1 -4,-1.6 4,-0.6 1,-0.2 3,-0.3 0.929 111.9 44.5 -56.8 -47.0 43.0 -49.5 6.5 241 26 B A H >< S+ 0 0 5 -4,-1.5 3,-0.6 1,-0.2 4,-0.4 0.814 107.8 59.7 -65.8 -33.5 45.3 -48.7 3.5 242 27 B A H >< S+ 0 0 19 -4,-1.6 3,-0.7 1,-0.2 -1,-0.2 0.802 98.8 56.6 -68.9 -31.2 43.2 -50.8 1.2 243 28 B L H 3< S+ 0 0 8 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.712 98.0 61.9 -74.3 -21.8 40.0 -48.8 1.7 244 29 B T T << S+ 0 0 14 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.594 77.3 108.6 -81.7 -12.7 41.6 -45.5 0.7 245 30 B I S < S- 0 0 64 -3,-0.7 3,-0.2 -4,-0.4 358,-0.1 -0.505 74.5-121.8 -65.4 125.1 42.3 -46.9 -2.8 246 31 B P S S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.368 88.5 33.0 -66.2 151.8 40.0 -45.2 -5.4 247 32 B D S S+ 0 0 166 1,-0.2 2,-0.5 -2,-0.1 -2,-0.0 0.971 74.7 167.0 63.1 60.4 37.7 -47.4 -7.5 248 33 B M - 0 0 51 -3,-0.2 -1,-0.2 -5,-0.1 2,-0.0 -0.915 34.6-121.9-104.3 129.1 37.0 -50.2 -5.0 249 34 B S > - 0 0 61 -2,-0.5 4,-3.2 1,-0.1 5,-0.2 -0.349 23.9-113.2 -67.3 148.3 34.1 -52.6 -5.8 250 35 B G H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.802 116.5 54.0 -51.1 -36.6 31.2 -52.9 -3.3 251 36 B R H > S+ 0 0 218 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.977 114.6 37.6 -60.7 -59.8 32.3 -56.5 -2.5 252 37 B S H > S+ 0 0 48 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.859 112.5 58.8 -63.2 -39.6 35.9 -55.6 -1.7 253 38 B R H X S+ 0 0 84 -4,-3.2 4,-1.0 1,-0.2 -1,-0.2 0.884 115.2 36.6 -56.1 -42.2 34.9 -52.4 0.0 254 39 B L H X S+ 0 0 127 -4,-1.7 4,-2.8 -5,-0.2 -2,-0.2 0.852 113.2 57.9 -77.3 -38.8 32.8 -54.5 2.4 255 40 B A H X S+ 0 0 58 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.898 109.7 43.9 -59.7 -44.8 35.2 -57.4 2.6 256 41 B L H X S+ 0 0 37 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.860 113.2 52.1 -67.0 -38.2 38.0 -55.1 3.9 257 42 B A H X S+ 0 0 22 -4,-1.0 4,-1.7 -5,-0.3 -2,-0.2 0.880 110.4 48.5 -64.0 -39.3 35.6 -53.4 6.2 258 43 B A H X S+ 0 0 54 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.848 107.4 55.6 -67.0 -37.1 34.6 -56.9 7.5 259 44 B L H X S+ 0 0 69 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.898 107.2 49.6 -61.6 -42.7 38.3 -57.8 7.9 260 45 B L H X S+ 0 0 2 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.901 108.6 53.6 -60.1 -43.9 38.7 -54.7 10.1 261 46 B A H X S+ 0 0 48 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.899 109.4 47.2 -59.9 -44.8 35.7 -55.8 12.2 262 47 B V H X S+ 0 0 105 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.920 114.8 45.5 -63.6 -46.6 37.2 -59.3 12.8 263 48 B I H X S+ 0 0 10 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.876 113.9 50.1 -65.0 -38.7 40.6 -57.8 13.8 264 49 B W H X S+ 0 0 61 -4,-2.9 4,-1.0 1,-0.2 -2,-0.2 0.900 111.1 49.3 -62.4 -42.4 38.8 -55.2 15.9 265 50 B G H X S+ 0 0 25 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.744 105.9 57.6 -69.2 -26.0 36.8 -58.1 17.5 266 51 B A H X S+ 0 0 33 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.869 106.0 48.7 -70.1 -38.7 40.1 -60.0 18.1 267 52 B Y H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.719 102.5 62.8 -74.1 -22.7 41.5 -57.1 20.1 268 53 B L H X S+ 0 0 77 -4,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.844 105.8 45.5 -70.2 -35.0 38.3 -57.0 22.2 269 54 B L H X S+ 0 0 124 -4,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.883 111.6 53.6 -66.6 -41.8 39.0 -60.5 23.4 270 55 B Q H X S+ 0 0 45 -4,-1.5 4,-1.1 1,-0.2 -2,-0.2 0.844 106.5 51.5 -62.7 -37.8 42.6 -59.3 24.0 271 56 B L H X S+ 0 0 28 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.869 112.9 45.6 -65.9 -39.2 41.4 -56.4 26.1 272 57 B A H X>S+ 0 0 34 -4,-1.3 4,-2.4 1,-0.2 5,-0.8 0.870 107.5 57.9 -69.9 -39.0 39.3 -58.9 28.2 273 58 B A H <5S+ 0 0 51 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.760 113.2 39.6 -64.0 -27.6 42.2 -61.3 28.5 274 59 B T H <5S+ 0 0 24 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.835 121.7 40.1 -89.0 -38.9 44.4 -58.6 30.1 275 60 B L H <5S+ 0 0 98 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.939 122.8 34.7 -77.7 -50.6 41.7 -57.0 32.3 276 61 B L T <5S+ 0 0 148 -4,-2.4 2,-0.5 -5,-0.2 -3,-0.2 0.937 107.3 68.5 -75.4 -50.3 39.8 -60.0 33.6 277 62 B K < + 0 0 164 -5,-0.8 2,-0.2 -4,-0.1 -1,-0.0 -0.632 64.3 178.6 -70.9 120.8 42.6 -62.5 33.9 278 63 B R + 0 0 221 -2,-0.5 2,-0.4 1,-0.0 3,-0.1 -0.540 29.6 125.3-130.9 63.6 44.8 -61.2 36.7 279 64 B R + 0 0 250 -2,-0.2 -2,-0.0 1,-0.1 -1,-0.0 -0.718 32.3 107.7-124.5 79.8 47.7 -63.6 37.2 280 65 B A S S- 0 0 60 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.730 75.6 -98.2-116.8 -53.7 50.9 -61.5 37.0 281 66 B G - 0 0 68 1,-0.1 -1,-0.3 -3,-0.1 3,-0.1 -0.900 43.6 -63.9 167.1-136.0 52.4 -61.2 40.5 282 67 B V S S+ 0 0 147 1,-0.3 2,-0.5 -2,-0.3 -1,-0.1 0.754 108.9 30.9-113.8 -59.8 52.5 -58.6 43.4 283 68 B V S S+ 0 0 136 -3,-0.1 -1,-0.3 2,-0.0 2,-0.3 -0.934 77.0 127.8-114.3 117.5 54.3 -55.4 42.2 284 69 B R - 0 0 161 -2,-0.5 2,-0.4 -3,-0.1 -3,-0.0 -0.942 46.3-128.6-153.9 172.0 54.2 -54.4 38.6 285 70 B D + 0 0 121 -2,-0.3 4,-0.1 1,-0.1 -2,-0.0 -0.984 29.3 157.9-133.3 123.0 53.4 -51.5 36.1 286 71 B R > + 0 0 81 -2,-0.4 4,-2.6 2,-0.1 5,-0.3 0.273 37.1 115.3-126.5 7.6 51.0 -52.0 33.2 287 72 B T H > S+ 0 0 103 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.868 83.3 40.5 -50.0 -49.5 49.8 -48.5 32.4 288 73 B P H > S+ 0 0 84 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.901 115.4 51.5 -68.8 -38.6 51.4 -48.3 28.9 289 74 B K H > S+ 0 0 81 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.867 111.8 44.8 -67.2 -40.8 50.4 -51.9 28.0 290 75 B I H X S+ 0 0 55 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.895 106.8 60.8 -69.2 -41.0 46.7 -51.6 28.9 291 76 B A H X S+ 0 0 46 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.822 103.5 50.6 -55.4 -36.9 46.5 -48.2 27.1 292 77 B I H X S+ 0 0 24 -4,-1.2 4,-1.1 2,-0.2 -1,-0.2 0.896 112.7 45.9 -68.2 -41.9 47.5 -49.8 23.8 293 78 B D H < S+ 0 0 0 -4,-1.2 4,-0.3 2,-0.2 -2,-0.2 0.838 113.7 49.7 -68.9 -35.4 44.8 -52.5 24.3 294 79 B V H >X S+ 0 0 48 -4,-2.7 4,-1.7 1,-0.2 3,-1.2 0.936 111.8 45.7 -69.7 -49.1 42.2 -49.9 25.3 295 80 B L H 3X S+ 0 0 72 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.722 101.7 69.1 -67.9 -22.7 42.8 -47.5 22.4 296 81 B A H 3< S+ 0 0 0 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.662 113.7 26.2 -70.3 -18.5 42.8 -50.5 19.9 297 82 B V H <> S+ 0 0 3 -3,-1.2 4,-0.6 -4,-0.3 -2,-0.2 0.628 119.8 52.7-117.3 -23.9 39.0 -51.0 20.5 298 83 B L H X S+ 0 0 99 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.910 107.5 47.2 -83.0 -45.8 37.6 -47.6 21.5 299 84 B V H X S+ 0 0 35 -4,-1.2 4,-1.8 2,-0.2 5,-0.2 0.914 113.4 47.1 -66.2 -46.2 38.9 -45.4 18.7 300 85 B P H > S+ 0 0 5 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.823 115.8 47.7 -63.1 -30.5 37.8 -47.8 15.8 301 86 B L H X S+ 0 0 65 -4,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.874 109.1 52.2 -74.8 -40.5 34.4 -48.1 17.5 302 87 B A H X>S+ 0 0 41 -4,-2.6 4,-2.8 1,-0.2 5,-0.7 0.819 110.1 50.3 -63.7 -32.5 34.1 -44.3 18.0 303 88 B A H <5S+ 0 0 5 -4,-1.8 4,-0.4 3,-0.2 -1,-0.2 0.875 108.7 51.1 -71.1 -40.2 34.8 -43.9 14.3 304 89 B F H <5S+ 0 0 130 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.841 121.7 33.5 -64.4 -35.0 32.2 -46.5 13.4 305 90 B L H <5S+ 0 0 133 -4,-1.8 -2,-0.2 7,-0.1 -3,-0.2 0.908 129.6 28.1 -89.9 -49.4 29.6 -44.6 15.6 306 91 B L T <5S+ 0 0 154 -4,-2.8 2,-0.3 -5,-0.2 -3,-0.2 0.940 106.8 69.8 -83.3 -51.7 30.5 -40.9 15.3 307 92 B D < + 0 0 42 -5,-0.7 5,-0.1 -4,-0.4 -1,-0.0 -0.558 50.9 178.1 -75.1 126.7 32.1 -40.6 11.9 308 93 B G + 0 0 78 -2,-0.3 -1,-0.2 3,-0.0 4,-0.0 0.742 54.7 88.3 -96.3 -30.9 29.7 -41.0 9.0 309 94 B S S > S- 0 0 48 1,-0.1 3,-1.6 2,-0.1 -2,-0.0 -0.264 93.6-106.2 -67.8 155.0 32.1 -40.4 6.1 310 95 B P G > S+ 0 0 78 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.638 111.5 81.4 -54.7 -15.3 34.2 -43.3 4.5 311 96 B D G > + 0 0 41 1,-0.2 3,-1.2 2,-0.1 4,-0.3 0.395 62.9 93.6 -74.7 2.6 37.2 -41.8 6.4 312 97 B W G X S+ 0 0 43 -3,-1.6 3,-1.8 1,-0.2 -1,-0.2 0.876 74.9 62.9 -60.2 -39.2 36.1 -43.6 9.6 313 98 B S G X S+ 0 0 5 -3,-1.0 3,-0.9 1,-0.3 -1,-0.2 0.588 86.1 74.3 -68.6 -10.7 38.4 -46.5 8.8 314 99 B L G X S+ 0 0 20 -3,-1.2 3,-1.5 1,-0.2 -1,-0.3 0.778 83.9 67.4 -68.3 -28.1 41.4 -44.2 9.0 315 100 B Y G X S+ 0 0 122 -3,-1.8 3,-1.2 -4,-0.3 -1,-0.2 0.595 79.4 77.4 -72.0 -12.1 41.0 -44.2 12.8 316 101 B C G X + 0 0 3 -3,-0.9 3,-1.7 1,-0.2 -1,-0.3 0.477 68.4 92.1 -72.0 -2.5 41.9 -47.9 12.9 317 102 B A G X + 0 0 10 -3,-1.5 3,-1.9 1,-0.3 -1,-0.2 0.645 59.4 86.2 -65.3 -16.0 45.5 -46.6 12.5 318 103 B V G X + 0 0 35 -3,-1.2 3,-1.8 1,-0.3 -1,-0.3 0.709 69.0 80.4 -57.1 -19.1 45.6 -46.6 16.3 319 104 B W G < + 0 0 0 -3,-1.7 -1,-0.3 1,-0.3 3,-0.3 0.390 68.5 84.3 -69.5 4.1 46.7 -50.3 15.7 320 105 B L G < S+ 0 0 19 -3,-1.9 4,-0.4 1,-0.2 -1,-0.3 0.641 83.0 59.4 -76.7 -17.5 50.2 -48.8 15.0 321 106 B L S <> S+ 0 0 64 -3,-1.8 4,-0.6 1,-0.2 3,-0.2 0.682 90.7 74.5 -78.4 -20.8 50.7 -48.9 18.8 322 107 B K H >> S+ 0 0 1 -3,-0.3 4,-0.8 -4,-0.2 3,-0.8 0.868 90.9 49.2 -66.1 -44.3 50.1 -52.6 18.8 323 108 B P H 34 S+ 0 0 22 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.796 110.5 54.8 -64.9 -24.3 53.5 -53.8 17.3 324 109 B L H 34 S+ 0 0 48 -4,-0.4 -2,-0.2 -3,-0.2 6,-0.1 0.658 97.5 69.8 -78.0 -18.6 55.2 -51.5 19.8 325 110 B R H << S+ 0 0 35 -3,-0.8 -1,-0.1 -4,-0.6 -3,-0.1 0.987 107.1 25.8 -64.8 -66.4 53.4 -53.3 22.7 326 111 B D S < S+ 0 0 81 -4,-0.8 2,-0.4 -37,-0.0 -1,-0.2 0.299 103.2 99.5 -89.7 9.1 54.9 -56.8 22.9 327 112 B S - 0 0 34 -4,-0.3 3,-0.3 -3,-0.1 242,-0.0 -0.825 59.0-152.2 -97.9 132.4 58.2 -55.7 21.4 328 113 B T S S+ 0 0 74 -2,-0.4 2,-1.4 1,-0.2 -1,-0.1 0.106 73.5 71.4 -74.5-158.8 61.3 -55.0 23.5 329 114 B F S > S+ 0 0 0 1,-0.2 4,-3.9 4,-0.0 5,-0.2 -0.106 86.7 78.4 73.9 -40.2 64.0 -52.6 22.3 330 115 B F H > S+ 0 0 46 -2,-1.4 4,-1.3 -3,-0.3 -1,-0.2 0.810 92.7 47.1 -71.0 -33.2 61.5 -49.8 22.9 331 116 B P H > S+ 0 0 63 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.815 116.7 47.0 -68.4 -29.9 62.2 -49.8 26.7 332 117 B V H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 3,-0.4 0.921 110.3 50.0 -73.1 -47.9 65.9 -49.9 25.6 333 118 B L H X S+ 0 0 19 -4,-3.9 4,-2.9 1,-0.2 5,-0.2 0.837 105.7 60.7 -57.1 -36.1 65.4 -47.0 23.1 334 119 B G H X S+ 0 0 44 -4,-1.3 4,-0.7 1,-0.2 -1,-0.2 0.891 111.6 36.1 -58.1 -44.2 63.7 -45.1 25.9 335 120 B R H X S+ 0 0 75 -4,-1.1 4,-1.8 -3,-0.4 -2,-0.2 0.658 115.0 55.6 -88.5 -18.4 66.8 -45.2 28.1 336 121 B V H X S+ 0 0 1 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.921 112.5 42.9 -72.1 -48.0 69.2 -44.8 25.2 337 122 B L H X S+ 0 0 76 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.731 114.2 53.4 -67.1 -24.8 67.3 -41.6 24.1 338 123 B A H < S+ 0 0 65 -4,-0.7 4,-0.4 -5,-0.2 3,-0.3 0.896 109.8 45.4 -74.9 -43.6 67.2 -40.6 27.8 339 124 B N H < S+ 0 0 110 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.606 124.2 36.3 -74.0 -12.9 71.0 -41.0 28.3 340 125 B E H >X S+ 0 0 9 -4,-0.9 4,-3.6 2,-0.1 3,-0.7 0.391 83.9 101.7-119.1 -0.9 71.5 -39.1 25.0 341 126 B A H 3X S+ 0 0 37 -4,-0.6 4,-2.1 -3,-0.3 5,-0.3 0.868 82.2 55.9 -50.0 -42.7 68.7 -36.5 25.2 342 127 B R H 34 S+ 0 0 126 -4,-0.4 4,-0.5 1,-0.2 -1,-0.3 0.880 118.6 32.5 -57.4 -41.5 71.3 -33.9 26.3 343 128 B N H <> S+ 0 0 18 -3,-0.7 4,-1.3 2,-0.1 -2,-0.2 0.785 115.4 56.8 -87.7 -31.2 73.3 -34.6 23.2 344 129 B L H X S+ 0 0 17 -4,-3.6 4,-1.9 2,-0.2 3,-0.2 0.896 104.5 50.4 -71.0 -43.5 70.5 -35.5 20.7 345 130 B I H X S+ 0 0 110 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.862 107.6 58.5 -60.0 -35.8 68.6 -32.2 21.2 346 131 B G H > S+ 0 0 1 -4,-0.5 4,-1.6 -5,-0.3 -1,-0.2 0.859 105.1 47.2 -61.0 -40.6 71.9 -30.5 20.5 347 132 B V H X S+ 0 0 1 -4,-1.3 4,-2.5 -3,-0.2 -1,-0.2 0.888 111.2 53.3 -67.6 -40.0 72.3 -32.2 17.1 348 133 B T H X S+ 0 0 56 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.937 110.6 43.8 -61.6 -51.3 68.7 -31.2 16.3 349 134 B T H X S+ 0 0 51 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.832 112.3 54.4 -65.5 -32.5 69.1 -27.5 17.1 350 135 B L H X S+ 0 0 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2,-0.2 -1,-0.2 0.911 113.2 48.2 -69.2 -44.5 104.4 -38.2 -5.4 747 78 D D H X S+ 0 0 1 -4,-1.2 4,-0.5 2,-0.2 -2,-0.2 0.838 109.8 51.8 -67.3 -36.8 107.1 -35.6 -6.1 748 79 D V H >X S+ 0 0 50 -4,-2.4 4,-1.8 1,-0.2 3,-0.8 0.921 113.1 44.5 -65.5 -46.0 108.6 -37.5 -9.0 749 80 D L H 3X S+ 0 0 75 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.853 104.0 65.8 -64.2 -36.5 105.2 -37.9 -10.7 750 81 D A H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.655 114.6 28.1 -64.2 -19.0 104.3 -34.2 -10.0 751 82 D V H S+ 0 0 6 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.848 116.7 48.0 -62.4 -31.8 102.7 -32.8 -16.4 755 86 D L H X S+ 0 0 62 -4,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.908 108.4 53.0 -70.9 -44.9 105.9 -32.2 -18.4 756 87 D A H X S+ 0 0 43 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.908 112.5 45.0 -57.3 -45.1 105.6 -35.4 -20.5 757 88 D A H X S+ 0 0 9 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.881 108.9 56.5 -65.8 -41.2 102.0 -34.3 -21.5 758 89 D F H < S+ 0 0 124 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.851 117.8 34.8 -57.1 -36.7 103.2 -30.7 -22.2 759 90 D L H < S+ 0 0 126 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-3,-2.0 3,-1.1 -4,-0.4 -1,-0.2 0.598 78.7 80.1 -69.8 -12.0 97.4 -34.6 -16.8 770 101 D C G X + 0 0 2 -3,-0.9 3,-1.5 1,-0.3 -1,-0.3 0.444 63.9 93.8 -74.0 0.2 98.2 -32.1 -14.1 771 102 D A G X + 0 0 12 -3,-1.4 3,-1.7 1,-0.3 -1,-0.3 0.509 58.6 90.1 -68.9 -4.9 95.6 -33.9 -12.0 772 103 D V G X S+ 0 0 26 -3,-1.1 3,-2.2 1,-0.3 -1,-0.3 0.852 70.4 72.5 -55.1 -36.2 98.7 -35.8 -10.7 773 104 D W G < S+ 0 0 1 -3,-1.5 3,-0.4 1,-0.3 -1,-0.3 0.396 70.8 87.5 -65.8 3.6 98.8 -33.1 -8.0 774 105 D L G < S+ 0 0 18 -3,-1.7 4,-0.4 1,-0.2 -1,-0.3 0.656 85.0 57.1 -69.1 -18.6 95.7 -34.7 -6.5 775 106 D L S <> S+ 0 0 67 -3,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.653 88.7 77.4 -83.4 -19.2 98.4 -36.8 -4.7 776 107 D K H >> S+ 0 0 1 -3,-0.4 4,-0.7 1,-0.2 3,-0.7 0.849 90.3 50.2 -65.6 -40.5 100.0 -33.7 -3.1 777 108 D P H 34 S+ 0 0 29 0, 0.0 4,-0.3 0, 0.0 3,-0.3 0.851 110.0 54.1 -63.0 -31.0 97.4 -33.1 -0.4 778 109 D L H 34 S+ 0 0 54 -4,-0.4 -2,-0.2 1,-0.2 3,-0.2 0.624 95.2 72.9 -73.7 -15.6 97.8 -36.8 0.5 779 110 D R H << S+ 0 0 42 -3,-0.7 -1,-0.2 -4,-0.6 -3,-0.1 0.915 106.6 26.6 -67.7 -47.6 101.6 -36.3 0.9 780 111 D D S < S+ 0 0 63 -4,-0.7 2,-0.3 -3,-0.3 -1,-0.2 0.273 92.0 118.7-106.0 9.6 101.8 -34.4 4.1 781 112 D S - 0 0 29 -4,-0.3 -660,-0.0 -3,-0.2 -3,-0.0 -0.585 49.1-159.2 -81.1 137.1 98.6 -35.6 5.8 782 113 D T S > S+ 0 0 87 -2,-0.3 4,-0.7 1,-0.1 -1,-0.1 0.593 86.2 70.3 -85.8 -13.9 98.8 -37.5 9.1 783 114 D F H >> S+ 0 0 0 -662,-0.2 4,-2.4 1,-0.2 3,-0.7 0.901 88.0 58.3 -70.4 -45.4 95.3 -39.0 8.5 784 115 D F H 3> S+ 0 0 35 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.788 99.5 56.2 -66.5 -34.1 96.2 -41.4 5.6 785 116 D P H 3> S+ 0 0 76 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.861 113.7 44.1 -57.1 -35.3 98.8 -43.4 7.5 786 117 D V H X S+ 0 0 9 -4,-0.6 4,-3.3 -3,-0.1 3,-0.5 0.317 78.6 113.8-122.2 4.6 89.3 -54.4 8.5 795 126 D A H 3X S+ 0 0 33 -4,-0.6 4,-1.8 1,-0.3 5,-0.2 0.814 80.0 52.8 -47.7 -39.6 90.2 -55.6 5.0 796 127 D R H 3> S+ 0 0 112 -4,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.925 116.6 37.8 -62.5 -47.3 88.4 -58.9 5.7 797 128 D N H <> S+ 0 0 7 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.887 114.1 54.6 -71.3 -42.2 85.2 -57.1 6.7 798 129 D L H X S+ 0 0 17 -4,-3.3 4,-1.6 1,-0.2 -2,-0.2 0.870 109.7 45.1 -65.3 -42.0 85.3 -54.3 4.1 799 130 D I H X S+ 0 0 84 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.836 111.3 57.0 -68.0 -33.7 85.6 -56.6 1.1 800 131 D G H X S+ 0 0 1 -4,-1.0 4,-1.7 -5,-0.2 -2,-0.2 0.887 107.7 45.1 -62.1 -43.3 82.8 -58.7 2.7 801 132 D V H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.849 112.0 53.9 -68.9 -35.6 80.5 -55.7 2.8 802 133 D T H X S+ 0 0 55 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.902 110.5 44.5 -66.3 -44.1 81.4 -54.8 -0.8 803 134 D T H X S+ 0 0 49 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.846 110.6 55.7 -67.9 -34.8 80.6 -58.3 -2.1 804 135 D L H X S+ 0 0 29 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.858 106.9 50.6 -63.6 -36.7 77.4 -58.2 -0.0 805 136 D F H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.920 112.4 47.0 -63.4 -45.4 76.5 -54.9 -1.8 806 137 D G H X S+ 0 0 34 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.892 113.2 47.2 -64.1 -44.2 77.2 -56.6 -5.2 807 138 D V H X S+ 0 0 19 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.951 116.4 43.0 -63.4 -51.7 75.2 -59.8 -4.4 808 139 D V H X S+ 0 0 39 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.888 112.8 55.6 -61.2 -41.0 72.2 -57.8 -3.1 809 140 D L H X S+ 0 0 15 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.934 112.7 40.6 -53.9 -52.2 72.5 -55.4 -6.1 810 141 D F H X S+ 0 0 12 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.912 114.9 50.0 -68.0 -46.5 72.3 -58.2 -8.6 811 142 D A H X S+ 0 0 40 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.929 113.9 46.1 -57.9 -48.2 69.6 -60.1 -6.8 812 143 D V H X S+ 0 0 18 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.889 112.7 50.8 -60.9 -42.7 67.5 -57.0 -6.5 813 144 D A H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.909 108.6 51.9 -61.4 -44.7 68.2 -56.1 -10.2 814 145 D L H X S+ 0 0 36 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.914 112.6 45.4 -57.0 -46.6 67.1 -59.6 -11.3 815 146 D A H X S+ 0 0 36 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.933 113.6 48.6 -63.2 -47.9 63.8 -59.2 -9.4 816 147 D A H X S+ 0 0 1 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.778 110.3 54.8 -63.6 -29.4 63.3 -55.7 -10.8 817 148 D Y H X S+ 0 0 17 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.985 108.7 43.3 -66.2 -61.2 64.0 -57.0 -14.3 818 149 D V H < S+ 0 0 61 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.848 118.0 47.2 -55.7 -40.5 61.5 -59.9 -14.4 819 150 D I H < S+ 0 0 57 -4,-1.9 4,-0.3 -5,-0.2 3,-0.3 0.952 121.3 32.2 -66.1 -51.7 58.7 -57.7 -12.8 820 151 D E H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.379 88.6 103.0 -96.4 1.8 59.1 -54.6 -15.0 821 152 D R T < S+ 0 0 59 -4,-1.5 7,-0.2 1,-0.2 -1,-0.2 0.924 90.5 29.6 -45.9 -61.9 60.2 -56.1 -18.3 822 153 D D T 4 S+ 0 0 137 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.803 121.2 50.4 -79.0 -33.1 57.0 -55.9 -20.2 823 154 D I T 4 S+ 0 0 84 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.911 122.3 29.7 -71.4 -44.3 55.5 -52.8 -18.5 824 155 D Q S X S+ 0 0 11 -4,-2.4 4,-1.5 1,-0.2 -1,-0.3 -0.780 70.5 170.4-122.9 84.4 58.6 -50.7 -19.0 825 156 D P T 4 S+ 0 0 71 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.894 76.4 39.0 -66.4 -46.7 60.5 -51.8 -22.2 826 157 D E T 4 S+ 0 0 161 1,-0.2 -5,-0.1 2,-0.1 -2,-0.0 0.639 123.2 40.1 -80.4 -15.8 63.1 -49.1 -22.6 827 158 D K T 4 S+ 0 0 102 -3,-0.2 -1,-0.2 -7,-0.2 10,-0.2 0.541 129.0 22.8-114.9 -11.2 63.9 -48.7 -18.9 828 159 D F S < S+ 0 0 0 -4,-1.5 -2,-0.1 -7,-0.2 6,-0.1 0.068 81.6 120.5-140.2 24.3 63.9 -52.3 -17.5 829 160 D G S S+ 0 0 15 -4,-0.5 2,-0.3 4,-0.1 -3,-0.1 0.516 77.5 23.0 -73.6 -7.8 64.6 -54.3 -20.7 830 161 D S S > S- 0 0 4 1,-0.1 4,-1.5 -358,-0.1 5,-0.1 -0.952 81.3-106.4-149.5 166.5 67.8 -55.9 -19.4 831 162 D I H > S+ 0 0 0 -363,-0.4 4,-3.1 -2,-0.3 3,-0.3 0.931 118.8 54.1 -61.6 -48.0 69.6 -56.8 -16.1 832 163 D P H > S+ 0 0 38 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.857 106.9 52.3 -54.1 -37.6 72.2 -54.0 -16.6 833 164 D Q H > S+ 0 0 57 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.855 113.4 43.3 -66.0 -36.9 69.3 -51.5 -16.9 834 165 D A H X S+ 0 0 0 -4,-1.5 4,-2.5 -3,-0.3 -1,-0.2 0.831 110.6 56.5 -73.4 -35.5 67.9 -52.9 -13.7 835 166 D M H X S+ 0 0 55 -4,-3.1 4,-2.3 2,-0.2 5,-0.2 0.864 104.5 52.8 -61.5 -39.6 71.4 -52.8 -12.2 836 167 D W H X S+ 0 0 16 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.930 112.2 44.5 -60.6 -47.5 71.6 -49.1 -13.1 837 168 D W H X S+ 0 0 0 -4,-1.4 4,-2.8 1,-0.2 -2,-0.2 0.871 109.9 59.2 -59.7 -38.9 68.3 -48.6 -11.2 838 169 D A H X S+ 0 0 0 -4,-2.5 4,-3.9 2,-0.2 5,-0.3 0.906 108.8 39.5 -62.4 -48.1 69.7 -50.9 -8.4 839 170 D V H X S+ 0 0 16 -4,-2.3 4,-1.4 2,-0.2 6,-0.5 0.867 116.1 53.2 -68.9 -37.2 72.8 -48.7 -7.6 840 171 D V H <>S+ 0 0 0 -4,-1.8 6,-1.4 -5,-0.2 5,-1.2 0.912 122.8 29.8 -59.2 -42.7 70.7 -45.6 -8.0 841 172 D T H ><5S+ 0 0 0 -4,-2.8 3,-0.7 3,-0.2 -2,-0.2 0.906 120.3 48.7 -86.0 -47.6 68.1 -47.0 -5.5 842 173 D L H 3<5S+ 0 0 1 -4,-3.9 -3,-0.2 1,-0.3 29,-0.2 0.878 113.3 46.3 -67.0 -40.9 70.2 -49.2 -3.2 843 174 D S T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.1 0.559 115.6-121.8 -73.5 -7.5 72.9 -46.5 -2.5 844 175 D T T < 5S+ 0 0 5 -3,-0.7 -3,-0.2 -5,-0.1 -2,-0.1 0.776 79.0 121.7 64.4 32.8 69.9 -44.2 -2.0 845 176 D T < + 0 0 0 -5,-1.2 -4,-0.2 -6,-0.5 -5,-0.1 0.931 37.3 171.5 -75.3 -75.9 71.0 -41.8 -4.8 846 177 D G - 0 0 0 -6,-1.4 -5,-0.1 -9,-0.1 -9,-0.1 0.994 16.9-176.3 66.1 80.8 67.9 -42.1 -6.9 847 178 D Y - 0 0 7 -674,-0.1 -671,-0.0 3,-0.1 -1,-0.0 0.955 41.9-119.3 -67.2 -51.6 67.9 -39.5 -9.7 848 179 D G S S+ 0 0 29 2,-0.2 3,-0.1 -226,-0.0 -675,-0.1 0.404 80.5 117.3 120.3 7.3 64.5 -40.4 -10.9 849 180 D D S S+ 0 0 33 1,-0.2 2,-0.4 -12,-0.0 -12,-0.1 0.833 83.1 29.8 -72.4 -34.6 65.4 -41.5 -14.5 850 181 D T S S+ 0 0 8 -14,-0.1 -1,-0.2 -13,-0.1 -2,-0.2 -0.992 70.7 162.0-130.0 125.5 64.2 -45.1 -13.8 851 182 D I - 0 0 29 -2,-0.4 7,-0.1 -3,-0.1 2,-0.1 -0.997 42.1-108.6-141.0 133.5 61.4 -46.0 -11.4 852 183 D P - 0 0 1 0, 0.0 -36,-0.0 0, 0.0 -2,-0.0 -0.386 27.7-168.3 -58.3 138.1 59.2 -49.2 -11.1 853 184 D Q + 0 0 101 -2,-0.1 2,-0.1 -33,-0.0 -33,-0.0 0.790 58.7 77.0-101.4 -36.8 55.7 -48.5 -12.3 854 185 D S S > S- 0 0 28 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.394 84.4-119.1 -76.3 153.7 53.8 -51.6 -11.1 855 186 D F H > S+ 0 0 166 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.900 113.9 56.4 -54.4 -46.0 52.7 -52.2 -7.5 856 187 D A H > S+ 0 0 54 1,-0.2 4,-1.6 2,-0.2 3,-0.5 0.932 109.6 43.8 -53.5 -52.5 54.8 -55.4 -7.4 857 188 D G H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.838 111.1 54.4 -63.8 -36.0 58.0 -53.5 -8.4 858 189 D R H X S+ 0 0 80 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.727 104.2 54.2 -74.3 -24.3 57.4 -50.6 -6.1 859 190 D V H X S+ 0 0 87 -4,-1.6 4,-1.2 -3,-0.5 -1,-0.2 0.901 112.6 44.5 -70.8 -43.2 57.0 -53.0 -3.1 860 191 D L H >X S+ 0 0 35 -4,-1.6 4,-1.9 2,-0.2 3,-0.7 0.944 108.4 58.4 -61.2 -49.6 60.4 -54.4 -4.0 861 192 D A H 3X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.3 3,-0.4 0.900 103.9 51.4 -46.1 -51.9 61.8 -50.8 -4.5 862 193 D G H 3X S+ 0 0 10 -4,-1.7 4,-2.0 1,-0.2 -1,-0.3 0.840 109.1 50.7 -55.2 -38.3 60.9 -49.9 -0.9 863 194 D A H X S+ 0 0 13 -4,-0.9 4,-1.1 -5,-0.2 3,-0.7 0.839 102.7 53.6 -72.1 -36.3 88.0 -48.0 17.8 885 216 D Q H 3X S+ 0 0 44 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.617 98.8 64.1 -73.4 -14.4 90.7 -50.6 17.4 886 217 D E H 34 S+ 0 0 25 -4,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.728 100.9 50.1 -78.9 -24.9 93.1 -47.7 16.7 887 218 D V H <4 S+ 0 0 21 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.790 108.1 53.3 -77.8 -32.8 92.5 -46.4 20.2 888 219 D R H >< S+ 0 0 105 -4,-1.1 3,-0.8 1,-0.2 -2,-0.2 0.865 108.0 50.0 -62.4 -39.5 93.3 -50.0 21.3 889 220 D R G >< S+ 0 0 136 -4,-1.4 3,-0.9 1,-0.3 -1,-0.2 0.683 95.7 74.6 -71.2 -20.2 96.5 -49.7 19.3 890 221 D G G 3 S+ 0 0 54 -4,-0.4 -1,-0.3 1,-0.2 3,-0.2 0.058 70.5 87.4 -81.7 24.6 97.0 -46.4 21.2 891 222 D D G <> + 0 0 93 -3,-0.8 4,-1.7 1,-0.1 -1,-0.2 0.232 61.7 91.1-101.5 8.7 98.0 -48.4 24.3 892 223 D F H <> S+ 0 0 75 -3,-0.9 4,-0.7 1,-0.2 5,-0.3 0.841 92.3 38.6 -71.3 -36.1 101.6 -48.5 23.1 893 224 D V H 4>S+ 0 0 74 3,-0.2 5,-0.9 -3,-0.2 -1,-0.2 0.513 117.6 52.3 -90.6 -8.1 102.5 -45.3 24.9 894 225 D R H 45S+ 0 0 52 3,-0.2 -2,-0.2 4,-0.2 -1,-0.1 0.738 114.8 36.2 -97.8 -30.2 100.4 -46.2 28.0 895 226 D N H <5S+ 0 0 77 -4,-1.7 -3,-0.1 2,-0.1 -2,-0.1 0.656 129.1 30.6 -97.6 -20.6 101.7 -49.7 28.7 896 227 D W T <5S+ 0 0 90 -4,-0.7 -3,-0.2 -5,-0.2 -2,-0.1 0.786 128.5 29.9-107.1 -40.3 105.4 -49.1 27.9 897 228 D Q T 5 0 0 87 -5,-0.3 -3,-0.2 -4,-0.1 -4,-0.1 0.881 360.0 360.0 -91.3 -45.6 106.2 -45.4 28.6 898 229 D L < 0 0 117 -5,-0.9 -4,-0.2 0, 0.0 -3,-0.0 0.340 360.0 360.0-130.7 360.0 103.8 -44.6 31.5