==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-DEC-11 4AC8 . COMPND 2 MOLECULE: R2-LIKE LIGAND BINDING OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.S.ANDERSSON,C.L.BERTHOLD,M.HOGBOM . 1239 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1038 83.8 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 . 24 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 177 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 755 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 64 5.2 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 1 5 4 1 0 3 10 2 3 1 0 0 3 0 1 3 0 0 0 3 1 3 3 1 0 5 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 2 A T 0 0 122 0, 0.0 2,-0.4 0, 0.0 447,-0.2 0.000 360.0 360.0 360.0 -19.3 18.3 56.1 -2.7 2 3 A R + 0 0 16 445,-1.7 3,-0.1 441,-0.1 379,-0.0 -0.886 360.0 177.6-100.7 142.5 18.7 57.9 0.6 3 4 A T + 0 0 125 -2,-0.4 2,-0.2 1,-0.2 -1,-0.1 0.726 57.9 19.5-115.7 -33.4 21.1 60.8 0.7 4 5 A R - 0 0 124 443,-0.0 2,-0.4 373,-0.0 -1,-0.2 -0.790 58.8-130.9-134.6 175.1 21.0 62.3 4.3 5 6 A S > - 0 0 1 -2,-0.2 3,-2.7 1,-0.1 427,-0.2 -0.885 12.1-159.2-133.3 101.3 20.0 61.6 7.9 6 7 A G G > S+ 0 0 16 -2,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.642 88.9 66.7 -57.3 -20.4 17.8 64.3 9.5 7 8 A S G 3 S+ 0 0 0 1,-0.2 -1,-0.3 369,-0.1 6,-0.2 0.496 96.9 57.3 -79.9 -3.3 18.7 63.2 13.0 8 9 A L G < S+ 0 0 0 -3,-2.7 424,-2.7 4,-0.1 425,-0.4 0.286 84.4 125.8-101.1 4.5 22.3 64.3 12.3 9 10 A A S X S- 0 0 19 -3,-1.1 3,-2.8 422,-0.2 2,-0.1 -0.175 75.5 -79.2 -71.0 157.7 21.3 67.9 11.4 10 11 A A T 3 S+ 0 0 73 1,-0.3 420,-0.2 421,-0.1 -1,-0.2 -0.348 122.5 6.3 -52.4 122.1 22.7 71.2 12.9 11 12 A G T 3 S- 0 0 44 418,-3.8 -1,-0.3 -3,-0.1 419,-0.1 0.484 107.5-131.3 75.6 2.9 20.9 71.6 16.3 12 13 A G < - 0 0 18 -3,-2.8 2,-0.2 417,-0.3 -4,-0.1 -0.135 59.5 -4.4 58.1-145.2 19.3 68.2 15.8 13 14 A L S S- 0 0 14 -6,-0.2 2,-1.0 404,-0.1 3,-0.1 -0.520 70.5-120.3 -80.9 149.5 15.6 67.6 16.4 14 15 A N > - 0 0 84 -2,-0.2 3,-1.8 1,-0.2 6,-0.3 -0.793 21.8-169.4 -96.4 100.2 13.4 70.5 17.6 15 16 A W T 3 S+ 0 0 79 -2,-1.0 -1,-0.2 1,-0.3 9,-0.1 0.662 83.2 60.4 -60.1 -19.7 11.8 69.3 20.9 16 17 A A T 3 S+ 0 0 43 4,-0.1 -1,-0.3 -3,-0.1 2,-0.1 0.505 79.0 107.4 -90.5 -8.3 9.5 72.3 20.9 17 18 A S S <> S- 0 0 11 -3,-1.8 4,-2.2 1,-0.1 3,-0.4 -0.428 80.6-112.6 -73.8 151.4 7.8 71.5 17.6 18 19 A L H > S+ 0 0 1 270,-2.3 4,-3.0 269,-0.2 5,-0.2 0.856 110.7 50.5 -53.0 -51.4 4.2 70.2 17.8 19 20 A P H > S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.870 113.4 46.6 -63.0 -34.2 4.7 66.6 16.6 20 21 A L H > S+ 0 0 4 -3,-0.4 4,-3.2 -6,-0.3 5,-0.2 0.854 111.1 51.0 -74.3 -38.1 7.5 66.0 19.0 21 22 A K H X S+ 0 0 93 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.971 113.4 46.4 -55.7 -54.4 5.6 67.5 21.9 22 23 A L H X S+ 0 0 3 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.852 111.7 52.3 -50.7 -43.5 2.7 65.2 20.9 23 24 A F H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.962 110.2 45.8 -61.6 -56.5 5.2 62.3 20.7 24 25 A A H X S+ 0 0 45 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.899 110.8 58.2 -49.3 -42.8 6.5 63.0 24.2 25 26 A G H X S+ 0 0 17 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.925 107.6 43.3 -52.9 -53.1 2.8 63.3 25.1 26 27 A G H < S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.828 111.7 54.3 -65.2 -36.8 2.1 59.7 23.9 27 28 A N H >< S+ 0 0 8 -4,-2.5 3,-0.6 2,-0.2 -1,-0.2 0.882 112.8 44.4 -59.9 -40.4 5.2 58.3 25.6 28 29 A A H 3< S+ 0 0 72 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.916 117.2 42.7 -72.0 -43.8 4.1 59.9 28.9 29 30 A K T 3< S+ 0 0 111 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.172 80.4 147.9 -92.9 17.1 0.4 58.8 28.7 30 31 A F < - 0 0 25 -3,-0.6 2,-0.3 -4,-0.2 -3,-0.1 -0.295 27.4-165.9 -54.3 129.8 1.2 55.2 27.4 31 32 A W - 0 0 15 165,-0.1 3,-0.1 -2,-0.0 -2,-0.0 -0.884 16.9-124.5-124.0 154.4 -1.4 52.7 28.7 32 33 A H >> - 0 0 52 -2,-0.3 3,-1.9 1,-0.1 4,-0.5 -0.847 1.8-154.6-103.7 117.2 -1.5 48.9 28.8 33 34 A P G >4 S+ 0 0 2 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.817 97.0 65.3 -53.7 -30.5 -4.4 47.0 27.2 34 35 A A G 34 S+ 0 0 88 1,-0.2 302,-0.0 302,-0.1 306,-0.0 0.728 91.9 63.8 -63.2 -23.9 -3.6 44.2 29.6 35 36 A D G <4 S+ 0 0 121 -3,-1.9 -1,-0.2 2,-0.1 2,-0.2 0.738 76.3 105.1 -72.7 -25.1 -4.6 46.4 32.6 36 37 A I S << S- 0 0 19 -3,-1.0 2,-0.9 -4,-0.5 153,-0.1 -0.411 71.9-133.0 -67.3 124.2 -8.2 46.8 31.5 37 38 A D + 0 0 103 -2,-0.2 3,-0.2 1,-0.2 155,-0.1 -0.690 38.7 159.9 -77.8 104.8 -10.6 44.7 33.6 38 39 A F >> + 0 0 23 -2,-0.9 3,-0.9 1,-0.1 4,-0.6 0.387 49.3 94.9-102.9 0.4 -12.8 42.8 31.1 39 40 A T T 34 S+ 0 0 121 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.777 85.7 45.3 -65.0 -30.7 -13.9 40.1 33.6 40 41 A R T 3> S+ 0 0 123 1,-0.2 4,-1.0 -3,-0.2 -1,-0.2 0.488 95.0 79.1 -95.6 -4.9 -17.1 41.9 34.7 41 42 A D H <> S+ 0 0 0 -3,-0.9 4,-1.9 1,-0.2 146,-0.2 0.831 82.5 59.4 -75.6 -36.9 -18.3 42.8 31.2 42 43 A R H X S+ 0 0 110 -4,-0.6 4,-1.7 2,-0.2 5,-0.2 0.843 100.1 58.8 -64.2 -33.8 -19.8 39.5 30.0 43 44 A A H >> S+ 0 0 56 -4,-0.3 4,-1.2 1,-0.2 3,-0.6 0.983 108.0 44.5 -54.6 -60.4 -22.2 39.5 32.9 44 45 A D H >< S+ 0 0 11 -4,-1.0 3,-0.6 1,-0.2 4,-0.3 0.885 108.2 62.6 -46.3 -46.3 -23.7 42.8 31.8 45 46 A W H >< S+ 0 0 14 -4,-1.9 3,-1.0 1,-0.3 -1,-0.2 0.849 104.6 42.1 -54.3 -47.5 -23.8 41.5 28.2 46 47 A E H << S+ 0 0 109 -4,-1.7 -1,-0.3 -3,-0.6 -2,-0.2 0.696 104.9 66.3 -77.1 -18.5 -26.2 38.6 28.8 47 48 A K T << S+ 0 0 180 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.457 90.8 87.2 -77.8 -4.0 -28.4 40.8 31.0 48 49 A L S < S- 0 0 15 -3,-1.0 2,-0.1 -4,-0.3 -3,-0.0 -0.495 85.5-101.2 -91.9 164.4 -29.2 42.9 27.9 49 50 A S > - 0 0 51 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.295 33.2-104.7 -78.5 167.7 -31.9 42.3 25.3 50 51 A D H > S+ 0 0 131 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.898 124.0 45.9 -56.3 -44.3 -31.4 40.7 21.9 51 52 A D H > S+ 0 0 94 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.947 107.6 55.3 -63.0 -52.2 -31.8 44.2 20.3 52 53 A E H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.866 112.1 45.3 -51.5 -38.4 -29.5 45.9 22.8 53 54 A R H X S+ 0 0 54 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.944 108.7 54.8 -71.7 -49.1 -26.8 43.4 21.9 54 55 A D H X S+ 0 0 43 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.902 112.9 43.7 -49.2 -47.9 -27.4 43.7 18.1 55 56 A Y H X S+ 0 0 21 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.939 114.6 48.2 -63.7 -49.3 -26.9 47.5 18.4 56 57 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.856 113.1 49.3 -61.2 -35.4 -23.8 47.2 20.7 57 58 A T H X S+ 0 0 7 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.931 110.2 50.0 -68.8 -46.3 -22.3 44.6 18.3 58 59 A R H X S+ 0 0 20 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.878 112.1 47.8 -57.2 -43.0 -22.9 46.7 15.2 59 60 A L H X S+ 0 0 14 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.865 113.3 46.8 -72.7 -37.9 -21.3 49.8 16.8 60 61 A C H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.874 108.7 56.5 -68.6 -36.7 -18.3 47.8 18.0 61 62 A T H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.917 108.8 46.4 -60.5 -43.8 -18.0 46.2 14.6 62 63 A Q H X S+ 0 0 33 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.914 112.1 51.7 -64.3 -43.4 -17.7 49.6 13.0 63 64 A F H X S+ 0 0 17 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.912 111.8 44.0 -60.1 -46.4 -15.2 50.7 15.6 64 65 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.925 114.9 47.1 -72.1 -43.2 -12.8 47.8 15.1 65 66 A A H X S+ 0 0 0 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.774 114.7 50.7 -67.2 -25.6 -12.9 47.8 11.3 66 67 A G H X S+ 0 0 7 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.900 110.5 46.1 -74.7 -45.1 -12.4 51.6 11.6 67 68 A E H X S+ 0 0 12 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.903 114.1 50.1 -65.4 -39.0 -9.4 51.3 13.9 68 69 A E H X S+ 0 0 7 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.841 109.4 51.8 -64.1 -38.7 -8.0 48.6 11.6 69 70 A A H X S+ 0 0 1 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.897 109.5 47.8 -66.4 -44.6 -8.5 50.8 8.6 70 71 A V H X S+ 0 0 5 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.763 105.4 58.4 -73.2 -26.0 -6.6 53.8 10.0 71 72 A T H X S+ 0 0 2 -4,-1.5 4,-0.6 29,-0.2 -1,-0.2 0.930 116.9 36.5 -61.5 -44.3 -3.7 51.6 11.2 72 73 A E H < S+ 0 0 17 -4,-1.4 -2,-0.2 1,-0.2 3,-0.2 0.852 119.5 48.4 -72.4 -39.2 -3.4 50.7 7.5 73 74 A D H < S+ 0 0 0 -4,-2.7 4,-0.3 1,-0.2 -3,-0.2 0.620 97.9 65.0 -90.0 -11.6 -4.3 54.1 6.1 74 75 A I H >X S+ 0 0 0 -4,-1.7 3,-2.1 1,-0.2 4,-0.7 0.877 82.8 83.5 -71.7 -34.9 -2.1 56.3 8.1 75 76 A Q H >X S+ 0 0 31 -4,-0.6 4,-1.2 1,-0.3 3,-0.6 0.724 82.6 56.6 -37.8 -47.0 1.1 54.7 6.5 76 77 A P H 3> S+ 0 0 10 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.797 96.6 63.6 -65.3 -26.0 1.2 56.8 3.4 77 78 A F H <> S+ 0 0 0 -3,-2.1 4,-2.2 -4,-0.3 -2,-0.2 0.863 98.6 56.1 -63.8 -37.8 1.3 60.1 5.4 78 79 A M H S+ 0 0 0 -4,-2.2 5,-3.0 2,-0.2 4,-0.6 0.823 106.4 57.1 -66.2 -33.2 6.7 63.4 5.5 82 83 A R H ><5S+ 0 0 83 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.954 108.0 47.0 -56.5 -52.7 9.7 61.6 4.1 83 84 A A H 3<5S+ 0 0 75 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.670 111.9 50.1 -66.0 -22.0 9.4 63.6 0.9 84 85 A E H 3<5S- 0 0 74 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.513 112.7-120.0 -93.2 -7.5 8.9 66.9 2.8 85 86 A G T <<5 + 0 0 54 -3,-1.3 2,-0.8 -4,-0.6 -3,-0.2 0.805 64.7 144.1 71.9 33.7 12.1 66.1 4.9 86 87 A R >< + 0 0 53 -5,-3.0 4,-1.7 1,-0.2 3,-0.4 -0.640 16.4 165.3-111.7 77.5 10.1 66.2 8.1 87 88 A L H > S+ 0 0 19 -2,-0.8 4,-3.1 1,-0.2 5,-0.2 0.867 73.8 60.6 -54.9 -43.7 11.5 63.6 10.5 88 89 A A H > S+ 0 0 17 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.902 109.4 42.8 -57.8 -42.9 9.7 65.0 13.6 89 90 A D H > S+ 0 0 2 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.829 112.5 53.6 -66.8 -36.5 6.3 64.4 12.0 90 91 A E H X S+ 0 0 4 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.941 108.3 50.0 -64.9 -46.5 7.4 61.0 10.7 91 92 A M H >X S+ 0 0 2 -4,-3.1 4,-1.2 1,-0.2 3,-0.7 0.939 110.5 49.7 -55.1 -49.2 8.5 59.9 14.2 92 93 A Y H 3X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 3,-0.4 0.886 105.3 58.0 -60.4 -40.1 5.1 61.0 15.6 93 94 A L H 3X S+ 0 0 0 -4,-2.0 4,-3.3 1,-0.2 -1,-0.2 0.784 98.5 58.6 -63.5 -31.6 3.2 59.1 13.0 94 95 A T H S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 -2,-0.2 0.846 112.5 46.1 -57.5 -37.3 -15.2 41.3 21.7 112 113 A D H ><5S+ 0 0 49 -4,-2.1 3,-1.8 3,-0.2 -1,-0.2 0.934 108.5 55.1 -66.8 -49.1 -13.5 38.1 22.9 113 114 A A H 3<5S+ 0 0 33 -4,-2.5 -71,-0.2 1,-0.3 -2,-0.2 0.731 109.0 46.3 -61.6 -29.3 -14.4 38.7 26.6 114 115 A V T 3<5S- 0 0 3 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.351 123.9-104.8 -95.2 2.2 -18.2 39.0 25.9 115 116 A G T < 5 + 0 0 36 -3,-1.8 2,-0.7 1,-0.2 -3,-0.2 0.675 66.6 148.6 89.1 22.0 -18.0 35.9 23.7 116 117 A I < + 0 0 14 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.795 6.4 140.4 -91.9 116.9 -18.2 37.2 20.2 117 118 A S + 0 0 72 -2,-0.7 206,-3.5 2,-0.1 207,-0.3 0.327 36.7 106.8-136.6 2.3 -16.2 35.0 17.8 118 119 A E S S- 0 0 89 204,-0.2 2,-0.1 1,-0.1 206,-0.1 -0.434 85.9 -80.9 -79.7 158.9 -18.4 34.8 14.6 119 120 A D - 0 0 70 1,-0.1 202,-0.2 -2,-0.1 3,-0.2 -0.419 42.1-168.4 -56.6 128.8 -17.6 36.6 11.4 120 121 A L > + 0 0 0 200,-2.6 3,-2.4 1,-0.1 4,-0.4 0.447 59.3 101.0-106.1 -3.6 -18.8 40.2 11.8 121 122 A H G > S+ 0 0 36 199,-0.5 3,-2.3 1,-0.3 4,-0.4 0.867 73.9 66.4 -48.4 -41.5 -18.6 41.4 8.2 122 123 A R G > S+ 0 0 123 1,-0.3 3,-0.6 2,-0.2 4,-0.5 0.670 87.6 68.7 -57.9 -20.0 -22.4 41.0 7.9 123 124 A Y G < S+ 0 0 16 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.688 99.8 47.9 -74.3 -17.8 -22.8 43.8 10.5 124 125 A L G X S+ 0 0 5 -3,-2.3 3,-1.4 -4,-0.4 7,-0.2 0.464 89.7 92.7 -93.7 -4.8 -21.5 46.4 7.9 125 126 A D T < S+ 0 0 94 -3,-0.6 -2,-0.1 -4,-0.4 -1,-0.1 0.945 86.8 40.5 -55.1 -58.7 -23.8 45.0 5.2 126 127 A D T 3 S+ 0 0 104 -4,-0.5 -1,-0.3 1,-0.2 3,-0.1 0.244 102.5 79.3 -80.9 17.7 -26.8 47.3 5.6 127 128 A L X> + 0 0 0 -3,-1.4 3,-1.5 1,-0.1 4,-1.0 -0.584 48.1 164.9-122.9 67.0 -24.5 50.3 6.1 128 129 A P H 3> S+ 0 0 48 0, 0.0 4,-1.5 0, 0.0 3,-0.2 0.803 75.6 62.1 -58.7 -26.1 -23.3 51.3 2.7 129 130 A A H 3> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 111,-0.2 0.820 97.2 58.7 -68.9 -31.2 -22.2 54.6 4.0 130 131 A Y H <> S+ 0 0 3 -3,-1.5 4,-2.9 1,-0.2 5,-0.4 0.895 106.5 46.5 -58.3 -44.4 -19.7 52.8 6.3 131 132 A R H X>S+ 0 0 98 -4,-1.0 4,-1.8 -7,-0.2 5,-0.6 0.837 108.7 55.1 -74.0 -32.0 -17.9 51.2 3.3 132 133 A Q H <>S+ 0 0 94 -4,-1.5 5,-3.3 3,-0.2 -1,-0.2 0.872 116.0 38.1 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-52.1 -23.5 -0.1 60.8 -0.9 146 147 A S H <4 S+ 0 0 73 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.927 115.6 25.6 -67.5 -45.7 2.3 58.1 -2.3 147 148 A A H << S+ 0 0 99 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.711 137.4 30.2 -86.3 -24.6 2.3 59.6 -5.8 148 149 A D < + 0 0 65 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.1 -0.815 53.2 168.0-146.0 91.9 1.5 63.1 -4.7 149 150 A P + 0 0 46 0, 0.0 5,-0.1 0, 0.0 -4,-0.1 0.207 33.8 145.3 -90.4 17.8 2.6 64.5 -1.3 150 151 A S > - 0 0 42 1,-0.1 4,-2.3 3,-0.1 5,-0.2 -0.073 66.0-106.1 -54.8 154.8 1.7 68.1 -2.3 151 152 A P H > S+ 0 0 60 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.843 121.4 51.3 -51.8 -38.2 0.3 70.4 0.5 152 153 A A H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.936 108.0 50.3 -65.1 -47.1 -3.3 70.1 -1.0 153 154 A A H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.896 110.0 52.8 -57.5 -40.9 -3.2 66.3 -1.1 154 155 A Q H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.872 108.5 49.1 -60.5 -41.5 -2.1 66.5 2.6 155 156 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.941 111.3 48.9 -66.0 -46.2 -5.0 68.7 3.5 156 157 A R H X S+ 0 0 101 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.919 114.8 46.5 -58.0 -44.4 -7.5 66.4 1.7 157 158 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 -16,-0.2 5,-0.3 0.904 112.4 48.7 -60.9 -48.3 -5.9 63.4 3.5 158 159 A S H X>S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 5,-1.6 0.841 110.5 50.9 -65.8 -35.0 -5.9 65.2 7.0 159 160 A V H <>S+ 0 0 0 -4,-2.4 5,-1.1 3,-0.2 6,-0.3 0.871 113.0 46.9 -68.5 -39.9 -9.6 66.2 6.6 160 161 A T H <>S+ 0 0 2 -4,-1.7 5,-1.9 -5,-0.2 -2,-0.2 0.967 125.9 27.3 -65.5 -53.2 -10.5 62.7 5.8 161 162 A Y H <>S+ 0 0 0 -4,-2.8 5,-1.9 3,-0.2 6,-0.2 0.982 133.5 22.1 -74.3 -62.4 -8.6 61.0 8.6 162 163 A N I <>S+ 0 0 0 -4,-1.7 5,-1.6 -5,-0.3 -3,-0.2 0.863 125.9 40.0 -84.4 -39.3 -8.2 63.5 11.4 163 164 A H I XS+ 0 0 4 -5,-1.1 5,-2.7 -6,-0.3 4,-1.6 0.821 126.3 41.4-110.0 -62.0 -13.8 63.6 10.0 165 166 A V I 4XS+ 0 0 9 -5,-1.9 5,-1.8 -6,-0.3 -3,-0.2 0.926 136.0 17.5 -58.9 -48.4 -13.0 60.0 10.8 166 167 A E I 4XS+ 0 0 4 -5,-1.9 5,-1.6 3,-0.2 -3,-0.2 0.929 130.0 47.6 -85.8 -55.7 -11.6 60.8 14.2 167 168 A G T 4S+ 0 0 64 -4,-2.1 5,-1.8 2,-0.2 4,-0.6 0.925 108.9 51.2 -69.6 -48.7 -21.4 56.8 26.9 179 180 A K H <5S+ 0 0 38 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.613 122.4 35.6 -63.4 -12.7 -25.1 56.9 26.2 180 181 A I H <5S+ 0 0 0 -4,-0.8 4,-0.3 -3,-0.2 6,-0.2 0.741 127.2 28.6-107.8 -39.6 -25.0 53.0 26.5 181 182 A C H X>S+ 0 0 2 -4,-2.8 5,-2.2 -5,-0.2 4,-0.7 0.939 123.2 35.3 -96.5 -58.0 -22.4 52.3 29.2 182 183 A V T ><5S+ 0 0 60 -4,-0.6 3,-0.8 -5,-0.4 -3,-0.2 0.956 117.1 52.7 -65.8 -51.2 -22.2 55.1 31.7 183 184 A E T 34 - 0 0 0 -2,-0.2 4,-1.8 -147,-0.2 -1,-0.2 0.894 54.6-179.2 50.6 59.9 -19.7 47.3 30.6 188 189 A P H > S+ 0 0 44 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.763 79.7 59.7 -61.3 -25.7 -17.0 49.0 32.7 189 190 A G H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 3,-0.2 0.976 106.0 45.0 -62.2 -57.8 -14.3 47.4 30.5 190 191 A M H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.829 110.1 59.5 -50.4 -37.0 -15.7 49.2 27.4 191 192 A Q H X S+ 0 0 51 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.941 111.4 36.4 -60.6 -51.5 -15.9 52.3 29.6 192 193 A E H X S+ 0 0 69 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.906 114.0 57.8 -68.8 -44.4 -12.2 52.4 30.4 193 194 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.924 109.2 46.7 -46.7 -50.9 -11.3 51.2 26.9 194 195 A V H X S+ 0 0 21 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.879 110.8 49.9 -66.7 -40.4 -13.2 54.3 25.6 195 196 A R H X S+ 0 0 158 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.932 114.7 46.5 -61.0 -43.8 -11.5 56.7 28.0 196 197 A R H X S+ 0 0 93 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.918 116.6 39.5 -69.2 -49.5 -8.1 55.4 27.0 197 198 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.827 112.8 60.0 -69.5 -30.7 -8.5 55.3 23.2 198 199 A G H X S+ 0 0 4 -4,-2.0 4,-0.8 -5,-0.3 -2,-0.2 0.828 103.4 51.8 -60.9 -35.5 -10.3 58.7 23.7 199 200 A D H >X S+ 0 0 49 -4,-1.5 3,-0.9 2,-0.2 4,-0.7 0.942 109.5 46.3 -65.6 -50.1 -7.1 60.0 25.2 200 201 A D H >X S+ 0 0 2 -4,-1.7 3,-1.6 1,-0.2 4,-1.4 0.932 106.3 62.1 -56.1 -46.5 -4.9 58.9 22.4 201 202 A E H 3X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.689 90.5 67.5 -55.1 -28.9 -7.4 60.4 19.9 202 203 A R H < - 0 0 93 -4,-2.3 3,-2.8 1,-0.1 -1,-0.3 -0.917 62.0-152.8-142.3 111.2 -0.7 79.1 1.0 220 221 A D T > S+ 0 0 85 -2,-0.3 3,-1.5 1,-0.3 4,-0.5 0.691 93.0 76.0 -58.4 -19.1 -4.1 80.6 1.6 221 222 A A T >> S+ 0 0 56 1,-0.3 4,-1.0 2,-0.2 3,-0.5 0.698 82.4 68.9 -60.7 -22.2 -5.3 78.5 -1.4 222 223 A N H <> S+ 0 0 11 -3,-2.8 4,-2.2 -7,-0.3 -1,-0.3 0.609 84.7 68.2 -77.7 -13.2 -5.2 75.5 1.0 223 224 A W H <> S+ 0 0 22 -3,-1.5 4,-2.7 -4,-0.2 -1,-0.2 0.849 98.8 50.4 -68.7 -35.8 -8.2 76.9 3.0 224 225 A T H <> S+ 0 0 79 -3,-0.5 4,-2.5 -4,-0.5 -2,-0.2 0.863 109.2 51.4 -71.2 -35.8 -10.4 76.2 -0.0 225 226 A V H X S+ 0 0 26 -4,-1.0 4,-2.2 2,-0.2 5,-0.2 0.960 112.5 46.7 -60.8 -51.1 -9.1 72.7 -0.2 226 227 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.928 114.2 46.9 -53.8 -52.9 -9.8 72.2 3.5 227 228 A E H X S+ 0 0 73 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.944 111.9 49.2 -56.6 -54.0 -13.3 73.7 3.2 228 229 A T H X S+ 0 0 66 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.884 112.3 47.5 -57.6 -46.1 -14.3 71.7 0.1 229 230 A R H X S+ 0 0 15 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.887 112.4 49.3 -62.9 -44.6 -13.2 68.4 1.6 230 231 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.943 111.8 49.7 -56.6 -50.7 -15.0 69.1 4.8 231 232 A N H < S+ 0 0 82 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.808 111.9 49.3 -59.7 -32.9 -18.1 70.0 2.8 232 233 A E H X S+ 0 0 103 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.2 0.873 117.1 38.8 -69.1 -41.5 -17.8 66.8 0.8 233 234 A L H X S+ 0 0 8 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.749 101.2 69.0 -91.2 -26.2 -17.4 64.5 3.8 234 235 A I H X S+ 0 0 8 -4,-2.4 4,-2.1 2,-0.2 3,-0.3 0.958 101.8 46.2 -57.0 -53.7 -19.8 66.0 6.4 235 236 A P H > S+ 0 0 76 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.924 113.7 51.9 -56.2 -39.8 -23.0 65.0 4.4 236 237 A L H X S+ 0 0 29 -4,-0.7 4,-0.8 1,-0.2 -2,-0.2 0.828 108.0 50.7 -64.2 -36.5 -21.4 61.5 4.0 237 238 A A H >X S+ 0 0 0 -4,-2.2 4,-1.7 -3,-0.3 3,-1.1 0.933 107.7 50.5 -66.3 -49.4 -20.7 61.1 7.8 238 239 A L H 3X S+ 0 0 34 -4,-2.1 4,-2.8 1,-0.3 -1,-0.2 0.794 103.5 64.0 -59.5 -27.2 -24.3 62.0 8.9 239 240 A R H 3X S+ 0 0 134 -4,-1.2 4,-2.5 -5,-0.3 -1,-0.3 0.840 100.0 50.0 -65.5 -36.7 -25.4 59.4 6.4 240 241 A L H < S+ 0 0 8 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.945 114.2 41.5 -57.0 -49.8 -27.2 53.0 11.5 245 246 A F H ><>S+ 0 0 2 -4,-2.1 3,-2.0 1,-0.2 5,-1.6 0.807 102.6 67.4 -67.8 -35.9 -30.5 54.3 13.0 246 247 A A H ><5S+ 0 0 64 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.780 88.3 70.1 -58.1 -28.7 -32.6 53.3 9.9 247 248 A L T <<5S+ 0 0 55 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.538 101.0 44.8 -63.4 -10.4 -32.0 49.7 10.9 248 249 A Y T X 5S- 0 0 31 -3,-2.0 3,-1.0 -4,-0.1 -1,-0.2 0.065 123.3 -95.1-126.9 24.6 -34.2 50.0 14.0 249 250 A G T < 5S- 0 0 50 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.739 71.7 -77.1 66.6 24.8 -37.2 51.9 12.5 250 251 A D T 3 - 0 0 19 0, 0.0 3,-0.5 0, 0.0 4,-0.2 0.038 31.5 -83.5 -85.3-179.0 -33.5 52.2 18.5 253 254 A P G > S+ 0 0 19 0, 0.0 3,-0.7 0, 0.0 -5,-0.0 -0.364 104.0 41.5 -81.6 167.4 -32.4 50.6 21.8 254 255 A F G 3 S- 0 0 9 1,-0.2 -70,-0.0 -2,-0.1 0, 0.0 0.616 121.8 -84.7 70.3 18.1 -30.8 52.4 24.8 255 256 A D G < S+ 0 0 149 -3,-0.5 2,-0.4 1,-0.2 -1,-0.2 0.871 74.1 173.0 51.9 46.6 -33.3 55.3 24.2 256 257 A L < - 0 0 7 -3,-0.7 2,-0.5 -4,-0.2 -1,-0.2 -0.678 24.4-142.3 -88.8 133.5 -31.1 56.9 21.6 257 258 A S > - 0 0 56 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.868 3.3-149.8-100.3 124.1 -32.5 59.8 19.6 258 259 A K H > S+ 0 0 54 -2,-0.5 4,-2.1 -8,-0.4 -1,-0.1 0.887 100.3 45.4 -54.5 -45.4 -31.6 60.1 15.9 259 260 A D H > S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.849 108.7 56.8 -72.2 -36.4 -31.8 63.9 15.9 260 261 A D H >> S+ 0 0 48 2,-0.2 4,-3.1 1,-0.2 3,-0.5 0.985 111.2 43.0 -50.3 -63.1 -29.7 64.1 19.1 261 262 A F H 3X S+ 0 0 5 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.851 112.3 54.0 -53.2 -40.5 -26.9 62.1 17.4 262 263 A L H 3X S+ 0 0 28 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.848 111.7 45.1 -66.3 -32.5 -27.3 64.2 14.3 263 264 A Q H < S+ 0 0 0 -4,-3.2 3,-1.5 1,-0.2 4,-0.3 0.951 113.8 47.5 -58.1 -53.6 -18.0 68.3 12.3 270 271 A M H >X S+ 0 0 91 -4,-3.4 3,-1.2 1,-0.3 4,-0.6 0.781 100.5 65.9 -66.6 -28.4 -18.7 72.0 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-1,-0.2 -5,-0.2 -2,-0.2 0.203 78.8 144.3 -92.7 16.2 8.0 46.1 28.4 342 31 B F < - 0 0 22 -3,-0.9 2,-0.4 -5,-0.1 -3,-0.1 -0.350 31.1-163.1 -60.6 128.9 7.3 49.7 27.4 343 32 B W - 0 0 6 -2,-0.1 -2,-0.1 165,-0.0 -1,-0.0 -0.931 16.0-126.8-122.4 141.5 9.9 52.1 28.7 344 33 B H > - 0 0 55 -2,-0.4 3,-2.5 1,-0.1 4,-0.4 -0.763 5.4-153.5 -93.7 113.1 9.8 55.9 29.0 345 34 B P G > S+ 0 0 2 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.786 96.1 64.5 -52.4 -30.7 12.7 57.8 27.5 346 35 B A G 3 S+ 0 0 86 1,-0.2 -2,-0.0 -322,-0.1 -318,-0.0 0.697 92.5 64.6 -65.8 -18.7 12.1 60.6 30.0 347 36 B D G < S+ 0 0 123 -3,-2.5 2,-0.5 2,-0.1 -1,-0.2 0.632 77.4 102.4 -79.9 -16.2 13.0 58.2 32.8 348 37 B I S < S- 0 0 14 -3,-1.2 2,-0.7 -4,-0.4 153,-0.1 -0.591 72.8-134.1 -75.5 122.3 16.6 57.8 31.6 349 38 B D + 0 0 101 -2,-0.5 155,-0.2 1,-0.2 3,-0.1 -0.686 38.0 159.0 -78.3 109.8 19.0 59.9 33.7 350 39 B F >> + 0 0 25 -2,-0.7 3,-2.1 1,-0.1 4,-0.6 0.442 45.2 103.3-102.1 -6.0 21.4 61.8 31.4 351 40 B T T 34 S+ 0 0 122 1,-0.3 4,-0.3 2,-0.2 3,-0.2 0.698 83.0 42.9 -58.6 -26.8 22.4 64.4 34.0 352 41 B R T 3> S+ 0 0 121 1,-0.1 4,-1.3 -3,-0.1 -1,-0.3 0.457 93.6 84.3 -98.6 -3.0 25.8 62.9 34.8 353 42 B D H <> S+ 0 0 0 -3,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.826 82.2 56.6 -73.2 -35.4 26.8 62.2 31.2 354 43 B R H X S+ 0 0 118 -4,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.909 104.1 56.3 -62.3 -40.4 28.2 65.7 30.3 355 44 B A H > S+ 0 0 51 -4,-0.3 4,-1.0 1,-0.2 3,-0.3 0.946 111.0 41.5 -54.1 -56.0 30.6 65.4 33.2 356 45 B D H >< S+ 0 0 8 -4,-1.3 3,-0.5 1,-0.2 4,-0.4 0.887 110.3 60.6 -56.4 -42.5 32.2 62.1 32.0 357 46 B W H >< S+ 0 0 16 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.842 105.1 45.8 -58.1 -40.4 32.1 63.4 28.4 358 47 B E H 3< S+ 0 0 110 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.704 103.5 62.7 -81.3 -21.1 34.4 66.4 29.1 359 48 B K T << S+ 0 0 176 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.501 90.6 92.7 -77.3 -6.2 36.9 64.3 31.1 360 49 B L S < S- 0 0 12 -3,-0.7 2,-0.0 -4,-0.4 -3,-0.0 -0.446 82.2-105.7 -84.6 161.8 37.6 62.2 28.0 361 50 B S > - 0 0 54 -2,-0.1 4,-1.7 1,-0.1 5,-0.2 -0.231 33.3-103.5 -74.8 172.0 40.4 62.9 25.4 362 51 B D H > S+ 0 0 127 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.892 122.9 50.1 -62.1 -42.2 39.8 64.3 21.9 363 52 B D H > S+ 0 0 96 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.911 108.1 51.7 -62.3 -46.4 40.2 60.9 20.4 364 53 B E H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.880 112.2 46.1 -60.4 -40.2 37.7 59.3 22.8 365 54 B R H X S+ 0 0 58 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.813 111.2 53.6 -72.2 -32.5 35.1 61.9 22.0 366 55 B D H X S+ 0 0 43 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.945 112.5 42.9 -64.6 -49.0 35.8 61.5 18.3 367 56 B Y H X S+ 0 0 21 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.940 115.1 48.2 -63.8 -49.9 35.3 57.7 18.4 368 57 B A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.822 111.9 50.8 -60.8 -33.7 32.2 57.9 20.6 369 58 B T H X S+ 0 0 7 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.944 109.3 50.3 -69.6 -46.3 30.7 60.6 18.4 370 59 B R H X S+ 0 0 24 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.883 112.2 47.7 -55.4 -43.5 31.3 58.5 15.3 371 60 B L H X S+ 0 0 14 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.868 112.8 47.4 -68.6 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116.9 49.4 -60.6 -36.1 45.6 11.1 23.0 687 66 C A H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.866 114.6 45.6 -68.7 -36.8 46.0 11.4 26.8 688 67 C G H X S+ 0 0 7 -4,-1.4 4,-1.8 -5,-0.2 -2,-0.2 0.851 111.3 52.2 -71.7 -38.1 42.6 13.1 26.9 689 68 C E H X S+ 0 0 9 -4,-3.3 4,-1.8 2,-0.2 37,-0.2 0.913 110.7 48.3 -62.2 -44.2 41.1 10.4 24.6 690 69 C E H X S+ 0 0 7 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.903 108.5 55.0 -61.3 -43.1 42.5 7.7 26.9 691 70 C A H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.873 109.2 46.2 -59.2 -40.1 41.0 9.5 29.9 692 71 C V H X S+ 0 0 5 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.865 106.5 57.3 -76.8 -33.9 37.5 9.6 28.5 693 72 C T H < S+ 0 0 2 -4,-1.8 4,-0.3 29,-0.2 -1,-0.2 0.867 118.8 35.1 -57.7 -38.9 37.6 5.9 27.3 694 73 C E H >< S+ 0 0 14 -4,-1.7 3,-0.9 -5,-0.1 -2,-0.2 0.871 115.9 52.0 -80.7 -44.2 38.3 5.1 31.0 695 74 C D H 3< S+ 0 0 0 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.541 96.1 67.8 -84.3 -4.3 36.2 7.7 32.8 696 75 C I T >X S+ 0 0 0 -4,-1.3 4,-1.6 1,-0.2 3,-1.3 0.763 78.4 82.7 -79.8 -23.8 33.0 7.0 31.0 697 76 C Q H <> S+ 0 0 9 -3,-0.9 4,-2.7 1,-0.3 5,-0.2 0.845 85.3 56.6 -52.0 -43.2 32.6 3.5 32.6 698 77 C P H 3> S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.858 105.4 51.6 -58.8 -32.2 31.0 4.9 35.8 699 78 C F H <> S+ 0 0 0 -3,-1.3 4,-2.2 -4,-0.3 -2,-0.2 0.893 109.3 50.1 -69.6 -39.3 28.3 6.6 33.8 700 79 C M H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.930 111.7 49.1 -57.9 -48.5 27.6 3.3 32.1 701 80 C S H X S+ 0 0 37 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.875 108.4 53.1 -57.8 -42.9 27.4 1.7 35.6 702 81 C A H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.903 109.2 49.2 -60.8 -43.9 25.1 4.5 36.8 703 82 C M H X>S+ 0 0 0 -4,-2.2 5,-1.8 2,-0.2 4,-0.9 0.870 109.2 52.4 -63.7 -38.6 22.7 3.8 33.8 704 83 C R H ><5S+ 0 0 39 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.929 112.9 44.7 -62.8 -44.7 22.8 0.1 34.6 705 84 C A H 3<5S+ 0 0 77 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.893 112.9 50.1 -63.7 -42.5 21.8 0.8 38.1 706 85 C E H 3<5S- 0 0 82 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.547 110.8-123.0 -75.6 -9.1 19.1 3.4 37.1 707 86 C G T <<5 + 0 0 52 -4,-0.9 2,-1.3 -3,-0.5 -3,-0.2 0.653 60.1 147.4 77.1 17.9 17.7 0.7 34.7 708 87 C R >< + 0 0 65 -5,-1.8 4,-1.8 1,-0.2 -1,-0.2 -0.659 18.5 175.3 -90.5 86.2 18.0 2.9 31.6 709 88 C L H > S+ 0 0 17 -2,-1.3 4,-2.7 1,-0.2 5,-0.2 0.907 75.4 52.2 -59.6 -48.4 18.8 0.3 28.8 710 89 C A H > S+ 0 0 19 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 112.5 45.0 -55.3 -47.8 18.7 2.8 25.9 711 90 C D H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.856 113.0 53.1 -62.4 -34.6 21.3 5.1 27.5 712 91 C E H X S+ 0 0 2 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.941 107.5 48.5 -69.3 -50.4 23.3 2.1 28.5 713 92 C M H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 3,-0.4 0.897 111.7 50.6 -54.0 -47.6 23.6 0.7 25.0 714 93 C Y H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 3,-0.3 0.909 104.5 57.3 -60.4 -42.7 24.5 4.1 23.6 715 94 C L H X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 -1,-0.2 0.780 99.6 59.2 -63.5 -27.1 27.3 4.5 26.2 716 95 C T H X S+ 0 0 0 -4,-1.3 4,-2.9 -3,-0.4 314,-0.4 0.940 109.5 43.1 -59.3 -49.2 28.9 1.2 25.0 717 96 C Q H X S+ 0 0 1 -4,-1.3 4,-2.9 -3,-0.3 -2,-0.2 0.876 113.0 54.2 -61.9 -42.3 29.2 2.8 21.5 718 97 C F H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.969 111.8 43.1 -51.7 -60.8 30.4 6.0 23.2 719 98 C A H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.907 114.1 51.0 -56.7 -46.4 33.2 4.1 25.1 720 99 C F H X S+ 0 0 2 -4,-2.9 4,-2.2 306,-0.4 -1,-0.2 0.919 107.7 53.5 -58.3 -44.6 34.1 2.1 22.0 721 100 C E H X S+ 0 0 3 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.872 106.7 51.9 -58.0 -38.1 34.4 5.3 20.0 722 101 C E H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.885 107.7 51.6 -68.3 -38.3 36.8 6.8 22.5 723 102 C A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.930 108.4 52.8 -58.5 -45.6 39.0 3.7 22.3 724 103 C K H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.779 108.4 49.8 -63.9 -29.0 39.0 4.1 18.5 725 104 C H H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 5,-0.2 0.894 109.9 50.3 -74.7 -42.3 40.1 7.7 18.8 726 105 C T H X S+ 0 0 1 -4,-2.2 4,-1.2 -37,-0.2 -2,-0.2 0.894 111.9 50.0 -59.1 -40.8 42.9 6.6 21.2 727 106 C Q H X S+ 0 0 14 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.944 111.1 47.1 -59.9 -50.0 43.8 4.0 18.6 728 107 C V H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.811 109.1 51.5 -71.8 -35.0 43.9 6.5 15.7 729 108 C F H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.820 110.5 51.5 -65.8 -33.6 46.0 9.2 17.4 730 109 C R H X S+ 0 0 0 -4,-1.2 4,-1.9 -5,-0.2 -2,-0.2 0.830 106.3 54.6 -70.6 -34.7 48.5 6.5 18.3 731 110 C M H X S+ 0 0 45 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.816 108.0 49.5 -67.8 -31.4 48.5 5.5 14.6 732 111 C W H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.912 108.9 50.6 -72.8 -44.8 49.4 9.0 13.7 733 112 C L H <>S+ 0 0 0 -4,-2.0 5,-2.9 1,-0.2 4,-0.4 0.891 112.6 48.0 -57.6 -40.4 52.2 9.3 16.2 734 113 C D H ><5S+ 0 0 58 -4,-1.9 3,-0.6 3,-0.2 -1,-0.2 0.875 108.9 53.8 -67.2 -39.7 53.6 6.0 14.7 735 114 C A H 3<5S+ 0 0 26 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.795 111.6 44.4 -66.6 -31.0 53.2 7.2 11.1 736 115 C V T 3<5S- 0 0 3 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.439 119.6-113.3 -92.2 -1.9 55.3 10.4 11.9 737 116 C G T < 5 + 0 0 33 -3,-0.6 2,-0.7 -4,-0.4 -3,-0.2 0.726 61.1 151.2 82.8 25.5 57.8 8.2 13.8 738 117 C I < + 0 0 17 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.810 2.7 147.6 -90.9 114.8 57.4 9.4 17.4 739 118 C S + 0 0 79 -2,-0.7 204,-2.7 2,-0.1 205,-0.3 0.461 34.7 107.2-125.4 -7.6 58.2 6.5 19.8 740 119 C E S S- 0 0 87 202,-0.2 2,-0.2 1,-0.1 204,-0.0 -0.291 84.4 -85.5 -67.7 156.5 59.7 8.3 22.9 741 120 C D - 0 0 70 1,-0.1 3,-0.3 201,-0.1 200,-0.2 -0.468 39.5-162.8 -62.2 134.2 57.8 8.6 26.2 742 121 C L > + 0 0 0 198,-2.6 3,-1.8 -2,-0.2 4,-0.3 0.354 59.2 103.5-110.0 4.2 55.5 11.7 26.0 743 122 C H G > S+ 0 0 40 197,-0.4 3,-1.4 1,-0.3 4,-0.3 0.777 73.3 69.0 -58.0 -27.4 54.6 12.4 29.6 744 123 C R G >> S+ 0 0 133 -3,-0.3 4,-0.6 1,-0.3 3,-0.5 0.699 87.7 64.2 -67.6 -21.0 57.1 15.3 29.6 745 124 C Y G <4 S+ 0 0 20 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.600 104.0 47.3 -77.1 -12.7 54.9 17.3 27.2 746 125 C L G X4 S+ 0 0 2 -3,-1.4 3,-1.2 -4,-0.3 7,-0.3 0.415 91.5 85.5-101.5 -4.5 52.2 17.4 29.9 747 126 C D T <4 S+ 0 0 95 -3,-0.5 -2,-0.2 -4,-0.3 -3,-0.1 0.904 88.9 46.8 -65.9 -45.6 54.7 18.5 32.6 748 127 C D T 3< S+ 0 0 97 -4,-0.6 -1,-0.3 1,-0.2 3,-0.1 0.187 102.0 76.0 -80.5 17.9 54.6 22.2 31.8 749 128 C L X> + 0 0 0 -3,-1.2 4,-1.5 1,-0.1 3,-0.8 -0.535 47.5 161.6-130.1 65.7 50.7 22.0 31.8 750 129 C P H 3> S+ 0 0 62 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.785 79.2 56.7 -57.5 -28.5 49.5 21.7 35.4 751 130 C A H 3> S+ 0 0 2 2,-0.2 4,-1.5 1,-0.2 111,-0.2 0.853 101.6 55.9 -71.8 -35.7 46.0 22.7 34.3 752 131 C Y H <> S+ 0 0 3 -3,-0.8 4,-2.7 1,-0.2 5,-0.3 0.935 110.0 45.2 -57.7 -48.5 45.9 19.8 31.8 753 132 C R H X>S+ 0 0 75 -4,-1.5 4,-2.1 -7,-0.3 5,-1.0 0.819 106.7 59.5 -69.3 -31.1 46.5 17.4 34.6 754 133 C Q H <>S+ 0 0 105 -4,-1.5 5,-3.5 -5,-0.2 -1,-0.2 0.865 114.4 37.0 -61.9 -36.9 44.0 19.1 36.9 755 134 C I H <>S+ 0 0 8 -4,-1.5 5,-3.1 -3,-0.3 -2,-0.2 0.930 128.6 30.3 -79.7 -48.6 41.3 18.4 34.3 756 135 C F H <5S+ 0 0 13 -4,-2.7 -3,-0.2 3,-0.2 -2,-0.2 0.756 128.9 32.4 -92.3 -27.0 42.3 15.0 33.0 757 136 C Y T <5S+ 0 0 19 -4,-2.1 177,-1.8 -5,-0.3 -3,-0.2 0.649 136.7 15.5-100.1 -17.9 44.1 13.3 36.0 758 137 C A T > S+ 0 0 0 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.890 117.4 51.2 -70.5 -37.2 37.9 11.0 36.9 762 141 C E H X S+ 0 0 110 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.896 114.0 44.4 -66.8 -39.9 37.0 12.1 40.4 763 142 C C H < S+ 0 0 20 -4,-1.9 -1,-0.2 -5,-0.3 16,-0.2 0.890 119.7 42.0 -68.5 -39.8 33.7 13.7 39.3 764 143 C L H >< S+ 0 0 0 -4,-1.9 3,-1.5 -5,-0.3 -2,-0.2 0.880 111.8 52.8 -76.8 -39.9 32.8 10.7 37.1 765 144 C N H >X S+ 0 0 47 -4,-3.3 3,-1.8 1,-0.3 4,-0.6 0.756 93.5 72.8 -68.5 -24.8 33.9 8.1 39.6 766 145 C A H 3X S+ 0 0 45 -4,-1.1 4,-2.5 1,-0.3 3,-0.3 0.692 83.6 72.2 -57.7 -19.9 31.7 9.7 42.2 767 146 C L H <4 S+ 0 0 2 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.729 85.7 63.3 -68.9 -24.5 28.8 8.3 40.1 768 147 C S H <4 S+ 0 0 74 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.856 115.6 30.5 -68.0 -37.2 29.7 4.8 41.4 769 148 C A H < S+ 0 0 92 -4,-0.6 -2,-0.2 -3,-0.3 -1,-0.2 0.816 135.2 27.6 -83.2 -37.0 28.8 5.9 45.0 770 149 C D < + 0 0 81 -4,-2.5 2,-0.8 -5,-0.1 -1,-0.2 -0.682 53.5 173.1-135.8 77.3 26.2 8.5 44.1 771 150 C P + 0 0 54 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.061 38.2 147.1 -76.1 34.9 24.2 8.0 40.8 772 151 C S > - 0 0 29 -2,-0.8 4,-2.3 1,-0.1 3,-0.3 -0.295 64.5-113.7 -67.7 151.2 22.1 11.0 41.9 773 152 C P H > S+ 0 0 63 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.882 118.6 54.5 -50.1 -40.9 20.6 13.4 39.3 774 153 C A H > S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.887 109.6 45.8 -62.0 -41.5 22.8 16.1 40.7 775 154 C A H > S+ 0 0 8 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.864 107.8 56.5 -71.7 -37.0 26.0 14.0 40.3 776 155 C Q H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.857 109.7 47.1 -61.0 -37.2 25.0 12.9 36.7 777 156 C V H X S+ 0 0 0 -4,-1.6 4,-3.5 2,-0.2 5,-0.2 0.950 111.7 48.9 -68.6 -51.0 24.8 16.6 35.7 778 157 C R H X S+ 0 0 99 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.904 115.5 45.7 -55.0 -41.9 28.1 17.4 37.4 779 158 C A H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.919 114.1 47.3 -66.5 -46.4 29.6 14.5 35.5 780 159 C S H X>S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 5,-1.4 0.906 110.8 52.0 -62.6 -43.6 28.0 15.3 32.2 781 160 C V H X>S+ 0 0 0 -4,-3.5 5,-1.8 3,-0.2 4,-0.6 0.968 114.4 44.0 -55.7 -53.7 29.0 19.0 32.5 782 161 C T H <>S+ 0 0 2 -4,-2.1 5,-1.7 -5,-0.2 -2,-0.2 0.889 125.7 29.6 -56.7 -49.5 32.6 17.9 33.1 783 162 C Y H <>S+ 0 0 0 -4,-2.8 5,-1.8 3,-0.2 6,-0.2 0.985 131.6 25.5 -78.1 -62.4 32.8 15.2 30.4 784 163 C N H <>S+ 0 0 0 -4,-1.7 5,-1.8 -5,-0.3 -3,-0.2 0.866 126.8 36.0 -77.7 -44.2 30.5 16.3 27.7 785 164 C H T <XS+ 0 0 4 -5,-1.8 5,-3.2 -6,-0.3 4,-1.2 0.896 128.0 37.4-100.1 -58.3 33.7 21.0 28.9 787 166 C V T 4XS+ 0 0 10 -5,-1.7 5,-1.3 -6,-0.3 -3,-0.2 0.949 138.9 17.4 -59.6 -50.2 36.1 18.3 27.9 788 167 C E T 4XS+ 0 0 4 -5,-1.8 5,-0.9 3,-0.2 -3,-0.2 0.925 130.7 45.1 -87.2 -52.5 34.3 17.6 24.6 789 168 C G T 4S+ 0 0 3 -4,-1.5 4,-2.6 2,-0.2 5,-0.5 0.765 109.7 53.8 -71.6 -27.0 44.5 21.3 14.1 800 179 C H H X>S+ 0 0 50 -4,-2.0 4,-1.4 2,-0.2 5,-1.3 0.944 110.0 46.0 -68.6 -49.0 42.6 23.3 11.5 801 180 C K H <5S+ 0 0 37 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.831 119.9 41.9 -60.3 -35.4 45.0 26.3 11.9 802 181 C I H <5S+ 0 0 0 -4,-1.7 4,-0.4 -5,-0.2 -2,-0.2 0.933 128.0 22.6 -77.6 -50.3 48.0 23.9 11.8 803 182 C C H <>S+ 0 0 0 -4,-2.6 5,-2.2 2,-0.1 4,-0.3 0.907 123.0 42.8 -90.1 -47.1 47.0 21.5 8.9 804 183 C V T >< - 0 0 1 -2,-0.2 4,-1.8 -147,-0.2 -1,-0.2 0.844 52.7-177.8 43.9 64.6 49.2 16.5 7.3 810 189 C P H > S+ 0 0 53 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.783 80.1 54.0 -61.9 -28.1 46.3 15.1 5.2 811 190 C G H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.980 106.5 48.2 -68.1 -59.1 46.0 12.1 7.6 812 191 C M H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.842 111.7 53.6 -48.5 -38.4 45.7 14.1 10.8 813 192 C Q H X S+ 0 0 38 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.945 110.6 43.8 -62.8 -49.9 43.1 16.2 8.9 814 193 C E H X S+ 0 0 63 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.839 114.9 51.9 -62.9 -36.4 41.0 13.1 8.0 815 194 C L H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 5,-0.3 0.952 110.3 46.5 -61.8 -53.3 41.5 11.9 11.5 816 195 C V H X S+ 0 0 18 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.866 112.9 51.2 -61.9 -37.0 40.3 15.2 13.1 817 196 C R H X S+ 0 0 158 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.961 111.8 46.4 -59.6 -53.1 37.3 15.2 10.7 818 197 C R H X S+ 0 0 101 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.858 115.6 43.1 -66.0 -39.7 36.3 11.6 11.6 819 198 C I H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.895 109.0 59.5 -71.3 -37.2 36.6 12.0 15.4 820 199 C G H < S+ 0 0 17 -4,-2.0 4,-0.4 -5,-0.3 -2,-0.2 0.901 104.7 52.3 -53.2 -43.5 34.9 15.4 15.1 821 200 C D H >X S+ 0 0 46 -4,-2.0 3,-0.9 1,-0.2 4,-0.7 0.909 111.4 43.3 -57.8 -49.8 32.0 13.4 13.6 822 201 C D H >X S+ 0 0 0 -4,-1.4 4,-1.2 1,-0.2 3,-1.0 0.909 107.5 62.2 -62.6 -42.5 31.8 10.9 16.5 823 202 C E H 3X S+ 0 0 4 -4,-3.0 4,-1.6 1,-0.3 -1,-0.2 0.568 93.6 64.5 -61.4 -13.3 32.2 13.7 19.1 824 203 C R H <> S+ 0 0 57 -3,-0.9 4,-2.3 -4,-0.4 -1,-0.3 0.830 100.2 48.1 -86.1 -37.4 29.0 15.3 17.9 825 204 C R H < - 0 0 90 -4,-1.9 3,-1.9 -5,-0.1 -1,-0.3 -0.850 63.4-157.1-152.2 108.5 13.7 18.8 38.7 842 221 C D T >> S+ 0 0 67 -2,-0.3 3,-0.9 1,-0.3 4,-0.5 0.544 85.7 79.6 -70.3 -7.9 14.6 22.5 38.1 843 222 C A H >> S+ 0 0 57 1,-0.2 4,-0.9 2,-0.2 3,-0.7 0.812 82.7 67.7 -62.9 -29.7 17.0 22.5 41.1 844 223 C N H <> S+ 0 0 8 -3,-1.9 4,-2.5 -7,-0.3 -1,-0.2 0.684 82.1 72.6 -67.6 -22.2 19.4 20.8 38.7 845 224 C W H <> S+ 0 0 12 -3,-0.9 4,-3.0 2,-0.2 -1,-0.2 0.942 99.7 46.7 -52.7 -48.8 19.8 23.9 36.5 846 225 C T H S+ 0 0 73 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.871 112.6 50.7 -60.1 -34.9 38.1 29.2 34.2 858 237 C L H X S+ 0 0 20 -4,-0.6 4,-1.5 2,-0.2 -2,-0.2 0.901 111.1 47.9 -68.6 -41.3 40.1 26.0 34.5 859 238 C A H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.916 111.4 49.4 -65.0 -45.8 39.7 25.3 30.8 860 239 C L H X S+ 0 0 37 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.887 107.3 57.3 -57.7 -40.5 40.8 28.8 29.8 861 240 C R H X S+ 0 0 144 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.879 101.4 55.7 -57.7 -41.1 43.8 28.4 32.1 862 241 C L H X S+ 0 0 15 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.897 107.6 48.9 -57.2 -45.4 44.9 25.3 30.2 863 242 C I H X S+ 0 0 13 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.911 110.0 51.3 -62.1 -46.4 44.9 27.3 26.9 864 243 C E H X S+ 0 0 73 -4,-2.0 4,-3.2 1,-0.2 5,-0.2 0.916 108.3 51.1 -58.1 -47.5 46.9 30.1 28.5 865 244 C E H X S+ 0 0 31 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.877 108.1 52.6 -60.3 -40.2 49.6 27.7 29.9 866 245 C G H < S+ 0 0 10 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.869 116.0 40.4 -61.0 -39.1 50.0 26.1 26.4 867 246 C F H ><>S+ 0 0 3 -4,-1.7 5,-1.7 1,-0.2 3,-1.4 0.858 109.3 58.1 -77.8 -39.8 50.6 29.6 24.9 868 247 C A H ><5S+ 0 0 58 -4,-3.2 3,-1.8 1,-0.3 -2,-0.2 0.771 93.7 69.4 -63.6 -27.6 52.7 30.9 27.8 869 248 C L T 3<5S+ 0 0 54 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.776 104.0 42.2 -57.3 -30.4 55.1 28.0 27.1 870 249 C Y T X 5S- 0 0 30 -3,-1.4 3,-1.1 -4,-0.3 -1,-0.3 0.019 127.8 -99.0-107.2 23.5 56.1 29.7 23.8 871 250 C G T < 5 - 0 0 42 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.859 67.5 -69.7 61.2 40.4 56.2 33.1 25.4 872 251 C D T 3 - 0 0 17 0, 0.0 3,-0.5 0, 0.0 4,-0.2 -0.292 33.0 -87.3 -93.0 171.4 53.9 30.5 19.4 875 254 C P G > S+ 0 0 23 0, 0.0 3,-1.1 0, 0.0 -5,-0.0 -0.184 104.8 43.0 -67.4 169.8 54.5 28.7 16.1 876 255 C F G 3 S- 0 0 8 1,-0.2 -70,-0.0 -74,-0.0 -202,-0.0 0.618 122.2 -86.1 64.3 17.2 51.9 28.5 13.3 877 256 C D G < S+ 0 0 144 -3,-0.5 -1,-0.2 1,-0.2 2,-0.2 0.771 74.3 170.9 57.8 32.2 51.0 32.2 13.9 878 257 C L < - 0 0 5 -3,-1.1 2,-0.4 -4,-0.2 -1,-0.2 -0.513 24.3-142.5 -79.7 138.9 48.6 31.2 16.6 879 258 C S > - 0 0 55 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.869 6.2-147.9-105.8 131.9 47.1 34.0 18.7 880 259 C K H > S+ 0 0 47 -8,-0.5 4,-2.4 -2,-0.4 -1,-0.1 0.929 101.9 44.6 -58.4 -50.2 46.4 33.6 22.5 881 260 C D H > S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.800 107.1 60.4 -68.2 -31.6 43.4 35.9 22.5 882 261 C D H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.935 110.4 40.9 -59.5 -48.3 42.0 34.3 19.3 883 262 C F H X S+ 0 0 5 -4,-1.8 4,-3.9 2,-0.2 5,-0.3 0.933 112.6 54.1 -65.9 -48.0 41.8 30.9 21.1 884 263 C L H X S+ 0 0 28 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.899 114.1 42.1 -54.5 -45.2 40.5 32.4 24.4 885 264 C Q H X S+ 0 0 66 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.914 117.3 47.9 -63.9 -44.4 37.6 34.1 22.4 886 265 C Y H X S+ 0 0 35 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.890 115.0 45.5 -64.9 -41.1 37.1 30.9 20.3 887 266 C S H X S+ 0 0 0 -4,-3.9 4,-2.1 2,-0.2 3,-0.3 0.927 109.4 53.0 -67.7 -50.4 37.1 28.7 23.4 888 267 C T H X S+ 0 0 20 -4,-2.3 4,-3.2 -5,-0.3 5,-0.3 0.862 106.1 56.2 -51.7 -40.9 34.8 30.8 25.6 889 268 C D H X S+ 0 0 25 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.892 107.4 47.5 -60.4 -43.8 32.3 30.8 22.7 890 269 C K H < S+ 0 0 4 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.869 115.4 47.3 -65.5 -38.6 32.2 27.0 22.8 891 270 C G H >< S+ 0 0 0 -4,-2.1 3,-1.4 2,-0.2 4,-0.3 0.946 113.3 43.7 -67.0 -53.8 31.8 27.0 26.5 892 271 C M H >X S+ 0 0 15 -4,-3.2 3,-2.3 1,-0.3 4,-0.7 0.899 100.8 69.6 -62.3 -41.8 29.1 29.6 26.9 893 272 C R H 3X S+ 0 0 7 -4,-1.8 4,-0.8 -5,-0.3 -1,-0.3 0.636 87.4 71.1 -51.7 -14.8 27.1 28.1 24.0 894 273 C R H <> S+ 0 0 0 -3,-1.4 4,-1.0 -4,-0.2 -1,-0.3 0.808 88.2 58.3 -75.9 -33.5 26.4 25.2 26.4 895 274 C F H X> S+ 0 0 1 -3,-2.3 4,-2.3 -4,-0.3 3,-0.9 0.941 104.1 53.4 -59.6 -45.8 24.1 27.1 28.7 896 275 C G H 3X S+ 0 0 17 -4,-0.7 4,-0.7 1,-0.2 -1,-0.2 0.786 103.8 56.8 -58.3 -32.3 21.8 27.8 25.6 897 276 C T H 3< S+ 0 0 0 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.829 116.9 33.0 -67.0 -33.6 21.7 24.1 24.8 898 277 C I H X< S+ 0 0 0 -4,-1.0 3,-1.5 -3,-0.9 4,-0.3 0.757 102.1 72.2 -99.3 -30.5 20.3 23.1 28.2 899 278 C S H >< S+ 0 0 27 -4,-2.3 3,-1.9 1,-0.3 -3,-0.1 0.833 84.2 67.0 -65.3 -36.4 18.2 26.1 29.3 900 279 C N T 3< S+ 0 0 72 -4,-0.7 -1,-0.3 1,-0.3 4,-0.2 0.481 91.4 67.0 -66.2 -0.9 15.2 25.5 26.9 901 280 C A T X S+ 0 0 0 -3,-1.5 3,-0.6 2,-0.1 -1,-0.3 0.696 71.8 107.0 -88.3 -24.6 14.5 22.2 28.9 902 281 C R T < S+ 0 0 110 -3,-1.9 -63,-0.1 -4,-0.3 2,-0.1 -0.397 94.5 8.7 -54.8 119.5 13.5 24.2 32.0 903 282 C G T 3 S+ 0 0 76 1,-0.3 -1,-0.2 -65,-0.3 -2,-0.1 -0.220 101.3 116.8 101.0 -43.2 9.7 23.9 32.2 904 283 C R S < S- 0 0 64 -3,-0.6 -1,-0.3 -4,-0.2 2,-0.2 -0.136 72.4-103.5 -57.0 151.4 9.4 21.3 29.4 905 284 C P >> - 0 0 64 0, 0.0 3,-1.4 0, 0.0 4,-1.2 -0.600 17.5-130.7 -85.5 146.4 8.0 17.8 30.3 906 285 C V H 3> S+ 0 0 60 1,-0.3 4,-1.9 -2,-0.2 3,-0.2 0.856 103.5 66.1 -60.7 -38.9 10.4 14.9 30.6 907 286 C A H 34 S+ 0 0 77 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.627 106.1 44.7 -60.6 -16.6 8.2 12.6 28.4 908 287 C E H <4 S+ 0 0 105 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.768 105.8 58.6 -92.2 -35.0 9.0 14.9 25.5 909 288 C I H >< S+ 0 0 3 -4,-1.2 3,-0.8 -3,-0.2 -269,-0.2 0.842 101.6 59.2 -62.3 -35.9 12.8 15.2 26.3 910 289 C D T 3< S+ 0 0 51 -4,-1.9 -270,-3.2 1,-0.2 -1,-0.2 0.922 115.1 30.9 -54.7 -52.5 13.1 11.4 25.9 911 290 C V T 3 S+ 0 0 69 -4,-0.5 2,-0.6 -272,-0.3 -1,-0.2 0.122 93.9 113.8-101.9 18.3 11.8 11.3 22.3 912 291 C D < - 0 0 30 -3,-0.8 -272,-0.1 -4,-0.2 -4,-0.0 -0.823 44.2-169.5-100.3 118.9 13.2 14.7 21.2 913 292 C Y >> + 0 0 70 -2,-0.6 3,-2.4 1,-0.2 4,-1.2 0.637 59.5 101.8 -78.2 -15.5 15.9 14.6 18.6 914 293 C S H 3> + 0 0 26 1,-0.3 4,-3.6 2,-0.2 5,-0.3 0.768 69.1 64.6 -47.3 -39.7 16.9 18.3 18.8 915 294 C P H 3> S+ 0 0 2 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.855 107.9 44.6 -55.8 -28.6 20.0 17.9 21.0 916 295 C A H <> S+ 0 0 7 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-4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.916 108.3 47.0 -67.6 -46.0 31.6 26.3 13.0 927 306 C R H X S+ 0 0 138 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.847 111.5 52.3 -64.6 -38.1 32.5 25.4 9.4 928 307 C R H < S+ 0 0 42 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.912 105.4 55.4 -61.1 -45.8 30.9 28.6 8.1 929 308 C T H < S+ 0 0 49 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.826 100.5 58.8 -58.7 -36.4 33.0 30.7 10.5 930 309 C L H < 0 0 70 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.919 360.0 360.0 -64.0 -43.2 36.3 29.2 9.2 931 310 C A < 0 0 123 -4,-1.2 -3,-0.1 -3,-0.3 -2,-0.1 0.780 360.0 360.0 -86.7 360.0 35.5 30.5 5.7 932 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 933 2 D T 0 0 117 0, 0.0 2,-0.4 0, 0.0 -175,-0.1 0.000 360.0 360.0 360.0 -22.0 43.2 9.2 41.0 934 3 D R + 0 0 28 -177,-1.8 3,-0.1 1,-0.1 -177,-0.0 -0.796 360.0 169.5 -96.5 137.1 45.1 9.0 37.6 935 4 D T + 0 0 123 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.538 61.9 14.5-122.5 -15.3 48.9 9.4 37.6 936 5 D R - 0 0 132 -179,-0.1 2,-0.5 -249,-0.0 -1,-0.3 -0.986 62.5-122.7-159.3 162.7 49.9 8.3 34.1 937 6 D S > - 0 0 0 -2,-0.3 3,-1.9 1,-0.1 4,-0.3 -0.950 10.1-154.5-119.3 115.9 48.7 7.7 30.5 938 7 D G G > S+ 0 0 18 -2,-0.5 3,-0.9 1,-0.3 -1,-0.1 0.748 94.3 59.3 -57.1 -28.5 49.4 4.3 28.9 939 8 D S G 3 S+ 0 0 0 1,-0.2 -1,-0.3 -253,-0.1 6,-0.2 0.562 99.5 57.4 -81.3 -9.2 49.2 5.7 25.4 940 9 D L G < S+ 0 0 0 -3,-1.9 -198,-2.6 4,-0.1 -197,-0.4 0.417 83.3 118.4 -96.4 -1.3 52.1 8.1 26.1 941 10 D A S X S- 0 0 22 -3,-0.9 3,-1.9 -4,-0.3 2,-0.1 -0.187 80.1 -84.9 -65.3 155.7 54.4 5.2 27.1 942 11 D A T 3 S+ 0 0 68 1,-0.3 -202,-0.2 -201,-0.1 -1,-0.1 -0.389 120.1 17.8 -61.4 138.5 57.6 4.5 25.1 943 12 D G T 3 S- 0 0 51 -204,-2.7 -1,-0.3 -3,-0.1 -203,-0.1 0.265 106.6-133.4 77.8 -10.7 56.9 2.4 22.1 944 13 D G < - 0 0 15 -3,-1.9 2,-0.3 -205,-0.3 -4,-0.1 -0.392 61.6 -2.4 65.9-139.0 53.3 3.4 22.5 945 14 D L S S- 0 0 16 -6,-0.2 2,-1.3 -2,-0.1 3,-0.1 -0.658 72.2-119.4 -89.4 141.7 50.7 0.6 22.3 946 15 D N > - 0 0 96 -2,-0.3 3,-2.6 1,-0.2 6,-0.3 -0.642 24.5-172.3 -84.6 90.8 51.7 -3.0 21.5 947 16 D W T 3 S+ 0 0 85 -2,-1.3 -1,-0.2 1,-0.3 9,-0.1 0.640 83.4 63.9 -57.7 -14.9 49.9 -3.8 18.3 948 17 D A T 3 S+ 0 0 38 -3,-0.1 -1,-0.3 4,-0.1 5,-0.1 0.684 77.5 108.9 -81.5 -20.9 51.1 -7.3 18.7 949 18 D S S <> S- 0 0 15 -3,-2.6 4,-1.8 1,-0.1 3,-0.4 -0.317 76.5-122.9 -64.2 139.3 49.1 -7.8 22.0 950 19 D L H > S+ 0 0 0 270,-2.2 4,-2.0 269,-0.2 5,-0.2 0.859 107.1 51.7 -50.7 -50.1 46.1 -10.2 21.7 951 20 D P H > S+ 0 0 2 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.879 112.6 46.1 -61.5 -36.9 43.4 -7.7 22.9 952 21 D L H > S+ 0 0 3 -3,-0.4 4,-2.4 -6,-0.3 -2,-0.2 0.777 108.4 57.9 -71.2 -29.7 44.5 -5.0 20.4 953 22 D K H X S+ 0 0 84 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.901 108.3 45.1 -64.8 -42.6 44.6 -7.6 17.6 954 23 D L H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.879 111.4 53.4 -68.6 -40.2 40.9 -8.5 18.2 955 24 D F H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.954 108.3 50.3 -54.3 -55.1 40.0 -4.7 18.4 956 25 D A H X S+ 0 0 47 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.917 115.4 42.0 -50.1 -51.6 41.7 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0.839 103.7 47.4 -62.5 -38.7 34.4 -15.6 17.9 1135 204 D R H < - 0 0 87 -4,-1.6 3,-1.4 1,-0.1 -1,-0.3 -0.928 61.8-155.2-147.8 117.9 49.8 -18.8 38.5 1152 221 D D T >> S+ 0 0 73 -2,-0.3 3,-1.0 1,-0.3 4,-0.6 0.599 89.3 75.8 -73.8 -11.3 49.0 -22.5 38.1 1153 222 D A H >> S+ 0 0 57 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.805 84.0 68.5 -62.4 -29.6 46.5 -22.4 41.0 1154 223 D N H <> S+ 0 0 8 -3,-1.4 4,-2.7 -7,-0.3 -1,-0.2 0.687 85.4 68.1 -67.4 -20.8 44.2 -20.6 38.6 1155 224 D W H <> S+ 0 0 26 -3,-1.0 4,-3.3 -7,-0.2 -1,-0.2 0.945 101.4 46.4 -56.6 -50.5 43.9 -23.8 36.6 1156 225 D T H S+ 0 0 72 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.932 112.3 48.7 -55.6 -45.1 25.5 -29.2 34.6 1168 237 D L H X S+ 0 0 18 -4,-0.8 4,-1.6 1,-0.2 -2,-0.2 0.857 109.4 53.7 -63.0 -34.0 23.4 -26.0 34.9 1169 238 D A H X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.882 109.6 45.7 -70.4 -38.9 23.9 -25.3 31.2 1170 239 D L H X S+ 0 0 37 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.880 107.3 60.1 -68.6 -38.3 22.7 -28.8 30.2 1171 240 D R H X S+ 0 0 134 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.897 100.6 55.8 -50.8 -45.6 19.8 -28.3 32.6 1172 241 D L H X S+ 0 0 18 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.900 109.2 44.9 -56.0 -47.3 18.7 -25.3 30.6 1173 242 D I H X S+ 0 0 14 -4,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.870 112.7 51.6 -65.7 -39.6 18.5 -27.3 27.3 1174 243 D E H X S+ 0 0 78 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.863 110.4 47.6 -67.1 -39.9 16.6 -30.2 29.1 1175 244 D E H X S+ 0 0 26 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.912 109.6 54.9 -65.0 -43.2 14.0 -27.8 30.5 1176 245 D G H < S+ 0 0 10 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.799 113.3 40.8 -60.1 -33.6 13.6 -26.2 27.1 1177 246 D F H ><>S+ 0 0 3 -4,-1.4 5,-2.2 1,-0.2 3,-1.5 0.808 105.8 63.6 -83.1 -33.9 12.9 -29.5 25.5 1178 247 D A H ><5S+ 0 0 62 -4,-1.8 3,-0.6 1,-0.3 -2,-0.2 0.567 91.2 68.0 -69.3 -12.4 10.7 -30.8 28.3 1179 248 D L T 3<5S+ 0 0 58 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.706 103.8 42.8 -75.9 -23.8 8.2 -28.0 27.6 1180 249 D Y T X 5S- 0 0 28 -3,-1.5 3,-0.9 -4,-0.2 -1,-0.2 0.026 129.1 -95.8-110.6 23.5 7.3 -29.6 24.3 1181 250 D G 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262 D F H X S+ 0 0 4 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.854 112.0 51.6 -67.8 -36.1 21.5 -30.9 21.5 1194 263 D L H X S+ 0 0 28 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.923 113.9 43.7 -64.2 -47.1 22.9 -32.4 24.8 1195 264 D Q H X S+ 0 0 140 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.878 117.0 48.1 -62.6 -39.6 25.7 -34.1 22.9 1196 265 D Y H X S+ 0 0 33 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.909 114.2 44.8 -67.3 -45.6 26.2 -30.9 20.8 1197 266 D S H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 3,-0.5 0.960 110.3 55.2 -61.7 -52.7 26.3 -28.6 23.8 1198 267 D T H X S+ 0 0 45 -4,-2.7 4,-3.1 1,-0.3 5,-0.2 0.855 106.0 52.4 -47.6 -43.8 28.6 -30.9 25.7 1199 268 D D H X S+ 0 0 72 -4,-1.6 4,-1.7 1,-0.2 -1,-0.3 0.894 109.6 47.7 -63.5 -42.3 31.1 -30.8 22.9 1200 269 D K H < S+ 0 0 5 -4,-1.5 4,-0.4 -3,-0.5 -1,-0.2 0.895 115.4 48.1 -65.2 -37.9 31.1 -27.0 22.9 1201 270 D G H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 4,-0.4 0.925 111.6 45.3 -67.8 -49.3 31.6 -27.1 26.6 1202 271 D M H >X S+ 0 0 92 -4,-3.1 3,-1.3 1,-0.2 4,-0.7 0.826 100.1 67.6 -69.2 -33.0 34.4 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