==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 28-MAR-11 3RAS . COMPND 2 MOLECULE: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.DIAO,L.DENG,B.V.V.PRASAD,Y.SONG . 758 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30048.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 558 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 5.5 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 . 2 0.3 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 . 45 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 267 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 1 2 1 3 2 5 3 7 0 1 2 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 2 0 0 1 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 11 A G 0 0 122 0, 0.0 27,-0.1 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 -71.2 20.8 31.0 -31.4 2 12 A R - 0 0 120 25,-0.3 2,-0.3 24,-0.1 27,-0.3 0.230 360.0-127.0 -26.4 132.8 19.5 28.9 -34.3 3 13 A L E -a 29 0A 41 25,-4.5 27,-2.4 85,-0.0 2,-0.7 -0.706 18.0-126.3 -89.8 142.3 22.2 26.9 -36.1 4 14 A R E -a 30 0A 70 -2,-0.3 84,-3.7 25,-0.2 85,-2.4 -0.833 32.6-169.4 -94.1 116.4 22.5 27.4 -39.9 5 15 A V E -ab 31 89A 0 25,-3.0 27,-2.9 -2,-0.7 28,-1.0 -0.881 19.3-161.2-115.5 137.1 22.3 24.0 -41.7 6 16 A V E -ab 33 90A 1 83,-2.2 85,-2.8 -2,-0.4 2,-0.6 -0.944 15.0-154.1-110.5 129.8 23.0 22.9 -45.3 7 17 A V E > -ab 34 91A 0 26,-3.4 28,-1.4 -2,-0.5 2,-0.6 -0.921 4.0-162.5-110.3 116.2 21.4 19.6 -46.3 8 18 A L E 3 S+ab 35 92A 0 83,-2.7 85,-1.9 -2,-0.6 28,-0.2 -0.857 82.5 14.6 -98.3 122.5 23.1 17.6 -49.1 9 19 A G T > S+ 0 0 9 26,-2.5 3,-0.8 -2,-0.6 6,-0.6 0.932 77.8 163.9 79.3 51.1 20.9 15.0 -50.5 10 20 A S T < + 0 0 0 25,-2.1 9,-0.2 -3,-0.5 26,-0.1 0.740 66.1 61.6 -73.2 -26.3 17.8 16.4 -48.9 11 21 A T T 3 S+ 0 0 22 24,-0.4 -1,-0.2 4,-0.2 25,-0.1 0.544 92.3 86.7 -80.7 -4.7 15.4 14.5 -51.1 12 22 A G S <> S- 0 0 33 -3,-0.8 4,-2.7 81,-0.1 5,-0.3 -0.108 97.3 -87.2 -85.7-173.6 16.7 11.2 -49.8 13 23 A S H > S+ 0 0 39 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.979 127.6 35.9 -57.9 -62.3 15.8 9.0 -46.9 14 24 A I H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.959 116.0 58.4 -57.7 -50.1 18.1 10.6 -44.3 15 25 A G H > S+ 0 0 0 -6,-0.6 4,-2.2 78,-0.3 5,-0.2 0.897 105.5 45.3 -46.1 -56.0 17.6 14.0 -45.9 16 26 A T H X S+ 0 0 47 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.892 112.7 51.3 -61.4 -37.2 13.8 14.2 -45.5 17 27 A Q H X S+ 0 0 30 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.872 108.1 54.4 -67.0 -32.9 14.0 13.0 -41.9 18 28 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.923 106.2 50.1 -64.5 -45.0 16.6 15.7 -41.2 19 29 A L H X S+ 0 0 20 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.769 107.0 56.7 -66.8 -23.8 14.3 18.4 -42.5 20 30 A Q H X S+ 0 0 67 -4,-1.3 4,-3.4 -5,-0.2 -2,-0.2 0.978 108.4 45.2 -68.3 -54.0 11.6 17.1 -40.2 21 31 A V H < S+ 0 0 6 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.860 115.7 47.7 -56.6 -36.9 13.8 17.5 -37.2 22 32 A I H >< S+ 0 0 8 -4,-2.2 3,-1.2 2,-0.2 7,-0.3 0.912 113.1 47.8 -71.0 -40.4 14.8 20.9 -38.4 23 33 A A H 3< S+ 0 0 69 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.898 110.9 52.3 -65.3 -38.7 11.2 21.8 -39.0 24 34 A D T 3< S+ 0 0 118 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.368 115.2 41.8 -80.5 7.3 10.2 20.5 -35.6 25 35 A N X> + 0 0 34 -3,-1.2 4,-2.3 -5,-0.2 3,-2.2 -0.300 59.2 156.7-149.4 56.0 12.8 22.6 -33.9 26 36 A P T 34 S+ 0 0 76 0, 0.0 -24,-0.1 0, 0.0 -2,-0.1 0.676 75.6 65.7 -57.3 -16.4 12.8 26.1 -35.6 27 37 A D T 34 S+ 0 0 142 1,-0.1 -25,-0.3 -25,-0.1 3,-0.1 0.763 111.9 30.1 -78.0 -24.0 14.3 27.3 -32.3 28 38 A R T <4 S+ 0 0 32 -3,-2.2 -25,-4.5 -6,-0.2 2,-0.3 0.775 120.3 37.9-103.2 -36.9 17.5 25.4 -32.9 29 39 A F E < -a 3 0A 4 -4,-2.3 2,-0.4 -7,-0.3 -25,-0.2 -0.870 47.4-168.8-128.6 157.4 18.0 25.1 -36.6 30 40 A E E -a 4 0A 76 -27,-2.4 -25,-3.0 -2,-0.3 2,-0.5 -0.999 25.7-130.4-137.4 131.8 17.5 27.0 -39.9 31 41 A V E +a 5 0A 18 -2,-0.4 -25,-0.2 -27,-0.2 3,-0.1 -0.743 36.4 158.7 -84.9 126.8 17.8 25.5 -43.4 32 42 A V E + 0 0 23 -27,-2.9 2,-0.3 -2,-0.5 -26,-0.2 0.405 60.0 33.1-126.2 -4.7 20.1 27.6 -45.6 33 43 A G E -a 6 0A 0 -28,-1.0 -26,-3.4 20,-0.1 2,-0.3 -0.962 53.4-174.7-159.5 139.5 21.1 25.1 -48.3 34 44 A L E +ac 7 56A 0 21,-1.5 23,-2.6 -2,-0.3 2,-0.3 -0.980 6.1 175.6-133.7 144.0 19.7 22.1 -50.2 35 45 A A E +ac 8 57A 1 -28,-1.4 -26,-2.5 -2,-0.3 -25,-2.1 -0.996 6.6 161.0-148.0 144.9 21.2 19.7 -52.7 36 46 A A E - c 0 58A 9 21,-2.1 23,-2.0 -2,-0.3 24,-0.1 -0.923 47.4-106.7-153.2 175.9 20.0 16.6 -54.5 37 47 A G - 0 0 45 -2,-0.3 23,-2.8 21,-0.2 -1,-0.1 0.949 54.5-114.8 -75.3 -49.5 20.6 14.4 -57.5 38 48 A G S S+ 0 0 11 21,-0.2 3,-0.4 20,-0.1 20,-0.1 0.291 88.5 105.5 129.1 -1.3 17.7 15.7 -59.5 39 49 A A S S+ 0 0 90 1,-0.2 2,-0.4 2,-0.1 3,-0.2 0.728 79.2 48.5 -80.0 -24.1 15.7 12.5 -59.7 40 50 A H > + 0 0 105 1,-0.2 4,-2.5 2,-0.1 -1,-0.2 -0.582 64.4 156.1-117.7 69.7 13.0 13.6 -57.2 41 51 A L H > S+ 0 0 39 -2,-0.4 4,-3.3 -3,-0.4 5,-0.2 0.910 70.9 53.8 -60.0 -48.8 12.0 17.0 -58.4 42 52 A D H > S+ 0 0 108 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.898 111.2 47.4 -55.9 -41.5 8.6 17.1 -56.9 43 53 A T H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.968 114.0 47.0 -62.8 -52.5 10.0 16.3 -53.5 44 54 A L H X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.856 111.5 52.6 -57.4 -36.3 12.7 19.0 -54.0 45 55 A L H X S+ 0 0 77 -4,-3.3 4,-2.3 2,-0.2 -1,-0.2 0.936 111.0 45.0 -65.7 -46.7 10.0 21.4 -55.2 46 56 A R H X S+ 0 0 139 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.816 110.4 56.0 -67.6 -28.8 7.9 20.9 -52.1 47 57 A Q H X S+ 0 0 12 -4,-2.4 4,-2.3 -5,-0.2 6,-0.4 0.899 108.7 47.0 -69.3 -37.4 11.0 21.1 -50.0 48 58 A R H X S+ 0 0 55 -4,-1.9 4,-1.5 1,-0.2 5,-0.4 0.923 112.3 48.8 -67.9 -44.9 11.8 24.5 -51.5 49 59 A A H < S+ 0 0 86 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.758 116.6 43.7 -67.0 -25.6 8.2 25.8 -51.0 50 60 A Q H < S+ 0 0 134 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.931 121.7 32.8 -87.3 -52.4 8.1 24.6 -47.4 51 61 A T H < S- 0 0 52 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.690 99.4-133.9 -77.7 -16.9 11.5 25.7 -46.0 52 62 A G < + 0 0 62 -4,-1.5 2,-0.4 -5,-0.4 -3,-0.2 0.779 55.5 144.2 70.2 26.1 11.4 28.7 -48.3 53 63 A V + 0 0 15 -5,-0.4 -1,-0.3 -6,-0.4 -2,-0.1 -0.842 25.3 170.8-102.0 133.4 15.0 28.1 -49.3 54 64 A T + 0 0 82 -2,-0.4 2,-1.6 -3,-0.1 -1,-0.1 0.551 52.2 103.1-113.2 -17.1 16.0 28.8 -52.9 55 65 A N + 0 0 37 15,-0.1 -21,-1.5 -23,-0.1 2,-0.3 -0.555 61.8 159.2 -68.1 92.4 19.8 28.4 -52.4 56 66 A I E -c 34 0A 1 -2,-1.6 16,-1.4 -23,-0.2 2,-0.4 -0.937 38.0-152.6-129.2 147.2 19.6 24.9 -54.1 57 67 A A E -cd 35 72A 1 -23,-2.6 -21,-2.1 -2,-0.3 2,-0.4 -0.966 11.3-177.6-119.5 129.4 21.9 22.5 -55.8 58 68 A V E -cd 36 73A 0 14,-2.0 16,-1.3 -2,-0.4 -21,-0.2 -0.989 13.5-158.8-127.5 121.9 20.8 20.0 -58.4 59 69 A A S S+ 0 0 43 -23,-2.0 15,-0.6 -2,-0.4 2,-0.4 0.952 72.5 76.6 -62.7 -55.3 23.3 17.5 -59.9 60 70 A D > - 0 0 81 -23,-2.8 4,-2.5 1,-0.1 5,-0.2 -0.470 69.0-152.5 -66.5 119.4 21.5 16.6 -63.2 61 71 A E H > S+ 0 0 98 -2,-0.4 4,-1.5 1,-0.2 -1,-0.1 0.876 94.8 47.5 -57.2 -46.4 21.9 19.4 -65.7 62 72 A H H > S+ 0 0 128 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.877 113.3 49.3 -65.6 -39.5 18.6 18.6 -67.6 63 73 A A H > S+ 0 0 4 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.929 109.1 50.1 -66.6 -46.0 16.7 18.4 -64.3 64 74 A A H X S+ 0 0 3 -4,-2.5 4,-1.6 1,-0.2 6,-0.5 0.859 110.5 56.2 -60.0 -33.7 18.0 21.7 -63.0 65 75 A Q H >< S+ 0 0 137 -4,-1.5 3,-0.8 -5,-0.2 -2,-0.2 0.986 104.4 45.1 -63.7 -63.3 17.0 23.1 -66.3 66 76 A R H 3< S+ 0 0 195 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.638 115.0 51.3 -60.9 -10.6 13.3 22.2 -66.4 67 77 A V H 3< S- 0 0 30 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.781 98.1-165.5 -90.8 -32.3 13.0 23.4 -62.8 68 78 A G << + 0 0 28 -4,-1.6 -3,-0.1 -3,-0.8 -2,-0.1 0.393 56.8 60.0 62.5 157.6 14.7 26.7 -63.5 69 79 A D + 0 0 138 1,-0.2 -1,-0.1 -4,-0.1 -4,-0.1 0.485 65.5 145.6 72.0 2.9 16.1 29.3 -61.1 70 80 A I - 0 0 12 -6,-0.5 -1,-0.2 1,-0.1 -15,-0.1 -0.621 37.7-158.0 -78.4 111.8 18.6 26.8 -59.7 71 81 A P S S+ 0 0 64 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.806 76.9 39.4 -58.3 -33.4 21.9 28.6 -58.7 72 82 A Y E +d 57 0A 28 -16,-1.4 -14,-2.0 -8,-0.0 2,-0.3 -0.976 69.3 161.0-125.0 130.2 24.1 25.5 -58.8 73 83 A H E +d 58 0A 67 -2,-0.4 3,-0.3 -16,-0.2 -14,-0.2 -0.969 32.2 44.5-144.1 159.1 23.9 22.7 -61.3 74 84 A G S > S- 0 0 6 -16,-1.3 3,-3.0 -15,-0.6 4,-0.3 -0.159 101.6 -49.8 95.5 167.2 26.1 19.9 -62.7 75 85 A S T 3 S+ 0 0 123 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.681 138.9 47.1 -48.7 -25.3 28.2 17.4 -60.9 76 86 A D T 3> S+ 0 0 76 -3,-0.3 4,-2.9 1,-0.2 -1,-0.3 0.449 81.5 103.0 -98.4 1.7 30.0 20.1 -58.9 77 87 A A H <> S+ 0 0 0 -3,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.842 82.1 47.4 -50.5 -41.1 26.8 21.8 -57.9 78 88 A A H > S+ 0 0 18 -4,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.895 111.7 48.3 -71.6 -40.2 26.9 20.3 -54.4 79 89 A T H > S+ 0 0 19 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.925 112.0 50.4 -68.0 -38.8 30.5 21.2 -53.7 80 90 A R H X S+ 0 0 70 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.854 105.6 56.1 -67.3 -33.4 30.0 24.8 -54.9 81 91 A L H >X S+ 0 0 0 -4,-1.6 4,-1.2 -5,-0.3 3,-0.7 0.960 108.2 48.5 -61.4 -49.0 26.9 25.2 -52.7 82 92 A V H >< S+ 0 0 3 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.929 109.3 52.0 -56.8 -49.2 29.0 24.3 -49.7 83 93 A E H 3< S+ 0 0 113 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.728 118.8 35.6 -61.9 -23.9 31.9 26.7 -50.6 84 94 A Q H << S+ 0 0 113 -4,-1.3 2,-0.6 -3,-0.7 -1,-0.2 0.436 99.2 81.1-112.8 -0.1 29.6 29.7 -51.0 85 95 A T S << S- 0 0 21 -4,-1.2 2,-0.2 -3,-0.7 -1,-0.1 -0.926 72.9-135.8-111.2 118.1 26.9 29.2 -48.4 86 96 A E + 0 0 164 -2,-0.6 2,-0.3 -54,-0.1 -3,-0.1 -0.513 41.7 151.8 -70.1 134.7 27.8 30.3 -44.8 87 97 A A - 0 0 19 -2,-0.2 -82,-0.2 1,-0.1 3,-0.1 -0.916 50.7-140.7-152.5 175.0 26.6 27.7 -42.4 88 98 A D S S+ 0 0 51 -84,-3.7 24,-3.7 1,-0.4 2,-0.4 0.640 92.5 26.4-110.5 -32.8 27.3 26.2 -39.0 89 99 A V E -be 5 112A 0 -85,-2.4 -83,-2.2 22,-0.2 2,-0.5 -0.992 57.8-160.9-138.4 141.3 26.6 22.6 -40.0 90 100 A V E -be 6 113A 3 22,-1.8 24,-1.4 -2,-0.4 2,-0.8 -0.977 11.7-158.9-121.1 111.0 26.7 20.6 -43.2 91 101 A L E -be 7 114A 0 -85,-2.8 -83,-2.7 -2,-0.5 2,-1.1 -0.847 7.2-158.1 -89.9 111.4 24.7 17.5 -43.1 92 102 A N E +be 8 115A 0 22,-2.8 25,-2.2 -2,-0.8 24,-1.7 -0.793 28.9 156.6 -95.8 98.3 26.1 15.3 -45.8 93 103 A A + 0 0 17 -85,-1.9 -78,-0.3 -2,-1.1 -79,-0.2 -0.070 29.8 126.5-109.5 28.7 23.3 12.9 -46.6 94 104 A L - 0 0 27 5,-0.1 2,-0.4 -80,-0.1 22,-0.1 -0.399 57.3-124.4 -79.0 164.9 24.5 12.1 -50.1 95 105 A V + 0 0 84 -2,-0.1 3,-0.3 22,-0.1 22,-0.1 -0.884 63.7 17.3-113.2 143.9 25.0 8.5 -51.1 96 106 A G S > S- 0 0 7 -2,-0.4 3,-2.3 1,-0.2 24,-0.2 0.160 95.9 -68.8 85.9 158.4 28.2 7.0 -52.5 97 107 A A G > S+ 0 0 3 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.554 115.6 86.0 -62.5 -7.2 31.9 8.0 -52.6 98 108 A L G > S+ 0 0 120 1,-0.3 3,-0.8 -3,-0.3 -1,-0.3 0.757 77.9 66.9 -64.5 -23.9 30.7 10.8 -55.0 99 109 A G G <> S+ 0 0 0 -3,-2.3 4,-1.7 1,-0.2 -1,-0.3 0.395 71.5 97.6 -78.6 4.2 30.1 12.8 -51.8 100 110 A L H <> S+ 0 0 5 -3,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.867 81.2 49.8 -61.0 -39.7 33.8 12.9 -51.1 101 111 A R H <> S+ 0 0 122 -3,-0.8 4,-2.1 -4,-0.2 -1,-0.2 0.852 108.1 50.7 -71.8 -34.4 34.2 16.4 -52.6 102 112 A P H > S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.896 109.1 53.9 -70.0 -32.4 31.3 18.0 -50.7 103 113 A T H X S+ 0 0 1 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.928 111.0 44.0 -62.3 -47.4 32.8 16.6 -47.5 104 114 A L H X S+ 0 0 9 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.907 113.3 51.6 -65.2 -41.3 36.2 18.1 -48.1 105 115 A A H X S+ 0 0 7 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.922 110.7 50.3 -60.2 -42.8 34.6 21.4 -49.1 106 116 A A H >X>S+ 0 0 0 -4,-2.6 3,-1.2 2,-0.2 4,-0.9 0.946 109.4 47.7 -62.2 -52.0 32.5 21.3 -45.9 107 117 A L H ><5S+ 0 0 5 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.949 108.5 58.3 -54.9 -46.5 35.5 20.7 -43.6 108 118 A K H 3<5S+ 0 0 150 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.715 99.1 56.5 -57.7 -23.4 37.3 23.5 -45.4 109 119 A T H <<5S- 0 0 67 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.720 109.9-124.7 -80.6 -18.9 34.6 26.0 -44.6 110 120 A G T <<5 + 0 0 34 -3,-1.8 -3,-0.1 -4,-0.9 -2,-0.1 0.289 65.4 134.4 95.4 -10.9 35.1 25.2 -40.9 111 121 A A < - 0 0 9 -5,-0.7 -1,-0.3 1,-0.1 -22,-0.2 -0.190 66.7 -93.3 -66.6 163.2 31.5 24.4 -40.3 112 122 A R E -e 89 0A 42 -24,-3.7 -22,-1.8 -3,-0.1 2,-0.5 -0.388 38.1-135.5 -72.2 160.2 30.6 21.3 -38.4 113 123 A L E -ef 90 137A 0 23,-2.8 25,-1.7 -24,-0.2 2,-1.1 -0.857 10.9-161.9-126.1 100.1 30.0 18.2 -40.5 114 124 A A E -ef 91 138A 0 -24,-1.4 -22,-2.8 -2,-0.5 2,-0.5 -0.680 26.4-154.2 -77.9 105.2 27.1 15.9 -39.7 115 125 A L E +ef 92 139A 3 23,-2.3 25,-2.3 -2,-1.1 26,-0.8 -0.714 44.8 140.5 -92.3 125.8 28.2 12.8 -41.6 116 126 A A + 0 0 18 -24,-1.7 2,-1.9 -2,-0.5 -23,-0.2 0.548 60.4 85.0-121.7 -41.4 25.8 10.3 -43.0 117 127 A N >> + 0 0 1 -25,-2.2 3,-0.9 1,-0.2 4,-0.6 -0.416 55.8 174.1 -64.9 84.7 27.7 9.7 -46.3 118 128 A K H >> + 0 0 8 -2,-1.9 4,-2.4 1,-0.2 3,-0.8 0.829 67.4 70.1 -66.9 -30.6 30.1 7.1 -44.8 119 129 A E H 3> S+ 0 0 15 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.774 91.7 58.8 -59.2 -28.1 31.6 6.4 -48.2 120 130 A S H <> S+ 0 0 0 -3,-0.9 4,-1.9 2,-0.2 -1,-0.3 0.861 110.7 41.9 -71.3 -32.9 33.3 9.8 -48.3 121 131 A L H < S+ 0 0 0 -4,-1.9 3,-1.7 -5,-0.3 4,-0.2 0.904 80.0 157.5 -63.7 -43.7 38.8 9.7 -48.1 125 135 A G T >X S- 0 0 2 -4,-3.2 4,-1.6 1,-0.3 3,-1.4 -0.174 72.0 -4.7 53.4-144.8 40.6 8.1 -45.3 126 136 A S H 3> S+ 0 0 25 1,-0.3 4,-2.4 184,-0.2 -1,-0.3 0.733 130.2 68.5 -50.0 -27.9 43.6 10.0 -43.9 127 137 A L H <> S+ 0 0 20 -3,-1.7 4,-1.1 1,-0.2 -1,-0.3 0.953 104.5 39.9 -59.1 -49.2 42.9 12.6 -46.6 128 138 A V H <> S+ 0 0 2 -3,-1.4 4,-1.4 -4,-0.2 -2,-0.2 0.878 112.3 56.3 -69.1 -38.2 39.7 13.6 -45.0 129 139 A L H >< S+ 0 0 65 -4,-1.6 3,-0.6 1,-0.2 -2,-0.2 0.926 102.9 53.3 -60.7 -45.9 41.0 13.4 -41.5 130 140 A R H 3< S+ 0 0 148 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.890 109.3 53.1 -54.7 -36.6 43.9 15.9 -42.2 131 141 A A H 3< S+ 0 0 36 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.794 101.6 72.7 -68.2 -32.3 41.1 18.2 -43.5 132 142 A A S << S- 0 0 21 -4,-1.4 3,-0.1 -3,-0.6 -24,-0.0 -0.506 71.9-139.9 -88.2 153.3 39.1 17.9 -40.3 133 143 A R > - 0 0 140 -2,-0.2 3,-2.4 1,-0.1 4,-0.4 -0.798 52.5 -63.4-107.0 153.4 39.8 19.5 -36.9 134 144 A P T 3 S- 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.031 121.7 -2.9 -37.7 123.4 39.2 17.6 -33.7 135 145 A G T 3 S+ 0 0 65 2,-0.1 3,-0.0 1,-0.1 -3,-0.0 0.696 94.0 120.9 64.0 22.3 35.5 16.8 -33.3 136 146 A Q < + 0 0 5 -3,-2.4 -23,-2.8 1,-0.1 2,-0.8 0.805 63.7 67.5 -82.9 -29.9 34.5 18.7 -36.5 137 147 A I E -f 113 0A 20 -4,-0.4 -23,-0.2 -25,-0.2 -1,-0.1 -0.819 68.8-172.4 -94.3 110.3 33.0 15.5 -37.9 138 148 A V E -f 114 0A 2 -25,-1.7 -23,-2.3 -2,-0.8 2,-0.1 -0.915 24.0-123.2-104.8 124.6 29.9 14.4 -35.9 139 149 A P E +f 115 0A 10 0, 0.0 -23,-0.2 0, 0.0 125,-0.1 -0.382 27.8 179.3 -70.3 142.8 28.5 11.0 -36.9 140 150 A V + 0 0 0 -25,-2.3 -24,-0.2 -2,-0.1 123,-0.1 0.617 55.8 102.7-109.5 -29.3 24.9 10.6 -38.1 141 151 A D S > S- 0 0 11 -26,-0.8 4,-2.6 1,-0.1 5,-0.2 -0.359 78.9-128.1 -56.1 132.9 25.2 6.8 -38.6 142 152 A S H > S+ 0 0 22 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.766 103.5 54.4 -61.0 -31.7 23.5 5.1 -35.7 143 153 A E H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.943 116.5 39.0 -67.1 -43.2 26.4 2.8 -34.7 144 154 A H H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.821 110.3 56.8 -75.4 -33.9 28.8 5.7 -34.5 145 155 A S H X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.935 112.4 46.8 -61.5 -40.0 26.3 8.1 -32.9 146 156 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.941 109.7 49.4 -64.9 -53.0 26.1 5.4 -30.3 147 157 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.907 109.8 55.0 -55.4 -40.9 29.8 4.8 -29.8 148 158 A A H >X S+ 0 0 15 -4,-2.5 4,-1.2 1,-0.2 3,-0.7 0.973 110.0 43.6 -55.9 -57.0 30.2 8.5 -29.5 149 159 A Q H 3< S+ 0 0 9 -4,-2.1 4,-0.2 1,-0.2 -1,-0.2 0.827 114.8 51.4 -58.5 -33.9 27.7 8.8 -26.6 150 160 A C H >< S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.751 108.2 50.5 -75.8 -26.1 29.2 5.7 -25.0 151 161 A L H X< S+ 0 0 37 -4,-1.9 3,-0.5 -3,-0.7 -1,-0.2 0.642 83.9 88.7 -84.5 -17.1 32.7 7.0 -25.1 152 162 A R T 3< S+ 0 0 106 -4,-1.2 2,-0.7 1,-0.3 -1,-0.2 0.794 83.9 62.7 -51.1 -26.6 31.6 10.3 -23.5 153 163 A G T < S+ 0 0 7 -3,-0.5 -1,-0.3 -4,-0.2 2,-0.3 -0.443 108.5 10.0-100.2 60.2 32.4 8.4 -20.3 154 164 A G < - 0 0 36 -2,-0.7 495,-0.1 -3,-0.5 -3,-0.0 -0.954 69.2 -89.3 162.0 179.1 36.1 7.8 -20.6 155 165 A T > - 0 0 73 -2,-0.3 3,-2.0 1,-0.1 4,-0.3 -0.876 42.0-110.6-118.6 152.7 39.6 8.1 -22.2 156 166 A P G > S+ 0 0 87 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.835 114.1 62.6 -52.4 -41.8 41.0 5.9 -25.0 157 167 A D G 3 S+ 0 0 119 1,-0.3 86,-0.0 86,-0.0 -3,-0.0 0.458 104.4 51.8 -67.4 2.7 43.6 4.2 -22.8 158 168 A E G < S+ 0 0 9 -3,-2.0 86,-2.3 85,-0.1 2,-0.5 0.387 88.0 97.0-114.9 -3.9 40.6 2.8 -20.9 159 169 A V E < +G 243 0B 2 -3,-2.1 84,-0.3 -4,-0.3 3,-0.1 -0.775 42.2 173.7 -90.5 127.5 38.8 1.5 -24.0 160 170 A A E - 0 0 31 82,-2.9 2,-0.3 -2,-0.5 83,-0.2 0.824 65.3 -4.7 -99.0 -42.7 39.3 -2.2 -24.6 161 171 A K E -G 242 0B 64 81,-1.6 81,-2.7 66,-0.0 2,-0.6 -0.993 53.0-139.6-152.1 150.6 37.0 -2.9 -27.5 162 172 A L E -Gh 241 227B 0 64,-2.3 66,-3.0 -2,-0.3 2,-0.7 -0.974 24.2-154.6-112.4 121.9 34.4 -1.1 -29.6 163 173 A V E -Gh 240 228B 1 77,-2.8 77,-2.6 -2,-0.6 2,-0.4 -0.876 6.3-164.6-105.5 108.7 31.5 -3.5 -30.2 164 174 A L E - h 0 229B 0 64,-2.9 66,-1.9 -2,-0.7 2,-0.3 -0.760 11.7-144.9 -89.9 132.9 29.5 -2.7 -33.3 165 175 A T E - h 0 230B 7 -2,-0.4 2,-0.4 73,-0.4 66,-0.2 -0.758 12.3-163.8 -98.6 146.3 26.1 -4.4 -33.6 166 176 A A E - h 0 231B 4 64,-2.2 66,-2.7 -2,-0.3 69,-0.1 -0.994 25.7-136.1-132.3 135.5 24.6 -5.6 -36.9 167 177 A S - 0 0 33 -2,-0.4 -1,-0.1 64,-0.2 64,-0.1 0.761 42.2-125.6 -59.0 -24.1 21.1 -6.6 -37.7 168 178 A G - 0 0 2 35,-0.1 3,-0.3 64,-0.1 -1,-0.1 0.320 41.7-108.1 93.3 -7.4 22.5 -9.6 -39.5 169 179 A G > - 0 0 10 1,-0.2 3,-1.0 2,-0.1 35,-0.1 -0.011 44.8 -68.3 70.7 173.6 20.6 -8.5 -42.6 170 180 A P T 3 S+ 0 0 63 0, 0.0 -1,-0.2 0, 0.0 34,-0.1 0.558 133.6 57.6 -77.0 -7.5 17.5 -10.5 -43.8 171 181 A F T > S+ 0 0 3 -3,-0.3 3,-2.7 33,-0.2 -2,-0.1 0.291 73.0 140.9-103.7 8.7 19.7 -13.5 -44.8 172 182 A R T < S+ 0 0 94 -3,-1.0 3,-0.1 1,-0.3 -3,-0.1 -0.281 70.3 24.1 -51.1 127.7 21.0 -13.9 -41.3 173 183 A G T 3 S+ 0 0 72 1,-0.3 -1,-0.3 -5,-0.1 -2,-0.1 0.260 95.8 119.9 97.9 -12.7 21.2 -17.6 -40.6 174 184 A W < - 0 0 91 -3,-2.7 -1,-0.3 1,-0.1 2,-0.2 -0.269 58.2-121.6 -80.3 171.8 21.4 -18.7 -44.2 175 185 A S > - 0 0 45 -3,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.663 28.5-103.7-109.1 166.7 24.3 -20.7 -45.8 176 186 A A H > S+ 0 0 53 -2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.884 122.8 56.8 -55.8 -37.0 26.5 -19.9 -48.7 177 187 A A H >4 S+ 0 0 62 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.987 109.3 40.8 -57.1 -64.2 24.4 -22.3 -50.6 178 188 A D H >4 S+ 0 0 75 1,-0.2 3,-2.2 2,-0.2 -2,-0.2 0.878 106.5 65.6 -53.4 -43.4 21.1 -20.6 -50.0 179 189 A L H >< S+ 0 0 6 -4,-2.7 3,-2.8 1,-0.3 155,-0.3 0.865 87.8 69.0 -48.6 -42.9 22.6 -17.2 -50.5 180 190 A E T << S+ 0 0 133 -4,-1.4 -1,-0.3 -3,-0.9 154,-0.3 0.727 95.0 55.3 -52.5 -24.1 23.3 -17.9 -54.1 181 191 A H T < S+ 0 0 167 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 0.359 79.1 129.0 -92.9 8.4 19.5 -17.9 -54.9 182 192 A V < - 0 0 10 -3,-2.8 152,-0.3 -4,-0.2 -3,-0.0 -0.384 42.6-157.9 -65.4 135.9 19.0 -14.4 -53.5 183 193 A T >> - 0 0 64 -2,-0.1 3,-2.0 150,-0.1 4,-1.1 -0.899 32.0-105.7-119.7 148.2 17.2 -12.0 -55.8 184 194 A P T 34 S+ 0 0 53 0, 0.0 144,-0.1 0, 0.0 -2,-0.1 0.595 117.7 62.7 -42.2 -18.1 17.1 -8.2 -55.8 185 195 A E T >4 S+ 0 0 147 1,-0.2 3,-0.8 2,-0.1 -3,-0.0 0.899 104.9 43.7 -76.5 -43.3 13.6 -8.3 -54.3 186 196 A Q T <4 S+ 0 0 80 -3,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.708 112.9 52.8 -74.2 -23.7 14.8 -10.0 -51.1 187 197 A A T 3< S+ 0 0 3 -4,-1.1 -1,-0.2 1,-0.2 17,-0.2 -0.097 115.0 38.3-104.4 34.2 17.8 -7.7 -50.8 188 198 A G S < S+ 0 0 47 -3,-0.8 2,-0.4 1,-0.1 -1,-0.2 0.179 96.0 86.9-165.1 15.1 15.9 -4.4 -51.0 189 199 A A - 0 0 51 -3,-0.3 -1,-0.1 11,-0.1 5,-0.0 -0.943 54.0-167.1-119.6 147.4 12.7 -5.0 -49.2 190 200 A H - 0 0 72 -2,-0.4 -3,-0.0 1,-0.1 -4,-0.0 -0.981 17.2-149.7-140.1 129.1 12.4 -4.5 -45.5 191 201 A P S S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.831 89.6 19.2 -67.3 -30.8 9.5 -5.6 -43.2 192 202 A T S S+ 0 0 85 1,-0.3 2,-0.3 0, 0.0 -2,-0.0 0.635 120.2 3.6-125.4 -11.0 9.7 -2.8 -40.6 193 203 A W - 0 0 136 63,-0.0 2,-0.3 2,-0.0 -1,-0.3 -0.973 65.2-119.8-161.4 168.3 11.5 0.4 -41.5 194 204 A S + 0 0 92 -2,-0.3 2,-0.2 -3,-0.1 -5,-0.0 -0.854 24.2 165.9-126.4 156.8 13.2 1.9 -44.6 195 205 A M - 0 0 57 -2,-0.3 -5,-0.0 1,-0.1 5,-0.0 -0.771 50.8 -64.4-141.3-177.1 16.5 3.3 -45.8 196 206 A G > - 0 0 25 -2,-0.2 4,-1.3 1,-0.1 -1,-0.1 -0.239 50.8-108.5 -70.9 166.2 17.9 4.2 -49.2 197 207 A P H >> S+ 0 0 110 0, 0.0 4,-2.4 0, 0.0 3,-0.7 0.969 114.9 47.0 -60.6 -58.4 18.5 1.4 -51.8 198 208 A M H 3> S+ 0 0 36 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.861 114.7 47.8 -52.3 -42.1 22.3 1.2 -51.7 199 209 A N H 3> S+ 0 0 53 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.754 109.9 54.2 -73.3 -24.7 22.3 1.2 -47.9 200 210 A T H S+ 0 0 5 -4,-2.1 6,-2.2 1,-0.2 5,-0.8 0.790 104.6 58.4 -60.1 -27.5 24.9 -3.3 -48.1 203 213 A S H <5S+ 0 0 22 -4,-0.8 3,-0.2 2,-0.2 -1,-0.2 0.903 108.8 44.6 -66.7 -41.6 22.9 -4.3 -45.0 204 214 A A H <5S+ 0 0 1 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.863 116.2 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441 71 B E H > S+ 0 0 73 -2,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.891 89.2 58.5 -68.3 -42.5 34.8 -4.6 23.6 442 72 B H H > S+ 0 0 138 1,-0.2 4,-0.7 2,-0.2 3,-0.4 0.947 112.0 41.0 -51.2 -52.9 34.3 -8.2 24.7 443 73 B A H >4 S+ 0 0 9 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.912 111.2 56.9 -62.5 -44.1 36.0 -9.3 21.5 444 74 B A H >X S+ 0 0 7 -4,-2.2 3,-1.8 1,-0.3 4,-1.8 0.808 95.9 65.9 -58.3 -30.2 38.6 -6.6 21.9 445 75 B Q H 3< S+ 0 0 131 -4,-2.2 -1,-0.3 -3,-0.4 -2,-0.2 0.831 89.9 65.7 -61.5 -32.4 39.4 -8.0 25.3 446 76 B R T << S+ 0 0 203 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.449 111.9 32.4 -70.2 0.3 40.8 -11.1 23.6 447 77 B V T <4 S- 0 0 37 -3,-1.8 2,-0.3 -4,-0.1 -2,-0.2 0.683 74.0-164.3-126.7 -38.3 43.6 -9.0 22.0 448 78 B G S < S+ 0 0 72 -4,-1.8 -3,-0.1 1,-0.1 -4,-0.1 0.155 72.8 71.8 73.4 -22.8 44.8 -6.2 24.2 449 79 B D + 0 0 102 -2,-0.3 -1,-0.1 -5,-0.1 -5,-0.0 -0.222 59.5 127.4-121.5 46.0 46.7 -4.1 21.6 450 80 B I - 0 0 9 -6,-0.2 -15,-0.1 1,-0.1 -13,-0.1 -0.891 49.3-149.9-102.4 124.3 44.0 -2.7 19.4 451 81 B P S 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-1,-0.2 0.913 127.0 48.2 -87.2 -48.4 21.4 7.2 2.8 502 132 B V H <5S+ 0 0 1 -4,-2.5 195,-0.2 2,-0.1 -3,-0.2 0.769 128.7 23.2 -66.0 -28.0 18.1 5.4 3.4 503 133 B A T <5S+ 0 0 0 -4,-2.5 2,-0.5 -5,-0.2 191,-0.3 0.825 127.3 42.8-104.9 -49.6 18.0 6.3 7.1 504 134 B G S >> S+ 0 0 4 -2,-0.5 4,-2.0 1,-0.2 3,-0.6 0.899 71.0 22.0 -39.4 -82.4 18.7 11.1 4.3 506 136 B S H 3> S+ 0 0 19 184,-0.4 4,-2.5 1,-0.2 5,-0.3 0.831 120.4 62.6 -63.5 -31.1 18.9 14.8 4.7 507 137 B L H 3> S+ 0 0 16 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.845 108.8 41.0 -63.0 -35.0 21.6 14.5 7.4 508 138 B V H - 0 0 186 -2,-0.2 3,-2.0 1,-0.1 4,-0.4 -0.667 45.0 -69.8-100.0 159.1 29.6 18.1 -0.8 514 144 B P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.116 116.6 4.9 -47.0 135.2 28.9 17.3 -4.5 515 145 B G T 3 S+ 0 0 51 2,-0.2 -3,-0.0 1,-0.1 3,-0.0 0.526 97.2 109.6 67.7 7.6 30.8 14.4 -6.0 516 146 B Q < + 0 0 14 -3,-2.0 -23,-3.1 -24,-0.1 2,-0.6 0.756 67.5 65.0 -83.7 -27.3 32.2 13.3 -2.6 517 147 B I E -v 493 0D 24 -4,-0.4 -23,-0.2 -25,-0.2 -2,-0.2 -0.869 64.2-173.8-100.1 120.2 30.1 10.3 -2.3 518 148 B V E -v 494 0D 5 -25,-2.5 -23,-1.4 -2,-0.6 2,-0.1 -0.971 25.5-124.7-114.9 123.4 30.7 7.5 -4.9 519 149 B P E -v 495 0D 10 0, 0.0 -23,-0.2 0, 0.0 125,-0.1 -0.370 18.5-168.6 -68.3 141.6 28.2 4.6 -4.8 520 150 B V + 0 0 1 -25,-2.0 2,-0.2 -2,-0.1 -24,-0.2 0.516 56.8 106.9-103.9 -14.1 29.4 1.0 -4.4 521 151 B D S > S- 0 0 24 -26,-0.5 4,-3.1 1,-0.1 5,-0.3 -0.479 75.7-128.9 -69.2 137.0 26.1 -0.6 -5.2 522 152 B S H > S+ 0 0 18 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.881 106.9 50.3 -52.5 -43.3 26.0 -2.2 -8.7 523 153 B E H > S+ 0 0 19 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.943 115.2 41.1 -61.7 -49.9 22.8 -0.3 -9.6 524 154 B H H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.865 110.5 56.3 -68.9 -37.5 24.0 3.1 -8.6 525 155 B S H X S+ 0 0 2 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.907 108.4 51.0 -61.0 -36.2 27.5 2.6 -10.0 526 156 B A H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.3 3,-0.3 0.942 110.1 47.0 -64.2 -48.6 25.8 1.9 -13.3 527 157 B L H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.825 108.1 57.5 -63.4 -32.5 23.7 5.1 -13.2 528 158 B A H < S+ 0 0 16 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.869 111.8 40.9 -65.5 -38.9 26.8 7.0 -12.3 529 159 B Q H >< S+ 0 0 6 -4,-1.6 3,-0.9 -3,-0.3 -2,-0.2 0.824 114.4 51.4 -78.5 -35.7 28.5 5.9 -15.5 530 160 B C H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.751 96.5 69.3 -73.4 -26.3 25.5 6.2 -17.7 531 161 B L G >< S+ 0 0 35 -4,-1.6 3,-1.3 1,-0.3 -1,-0.2 0.605 79.4 77.6 -69.4 -8.2 24.8 9.8 -16.6 532 162 B R G < S+ 0 0 60 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.592 75.7 82.2 -74.8 -5.2 27.9 10.8 -18.4 533 163 B G G < S- 0 0 2 -3,-1.9 2,-0.3 -380,-0.1 -1,-0.3 0.585 108.2 -16.9 -74.9 -10.7 25.7 10.5 -21.4 534 164 B G S < S- 0 0 12 -3,-1.3 -265,-0.1 -4,-0.1 -1,-0.0 -0.960 82.4 -68.9-171.6-175.0 24.2 14.0 -20.9 535 165 B T >> - 0 0 63 -2,-0.3 3,-2.1 1,-0.1 4,-0.5 -0.455 51.1-101.9 -88.4 165.9 23.7 16.8 -18.5 536 166 B P G >4 S+ 0 0 107 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.874 122.9 55.2 -54.6 -36.8 21.5 16.6 -15.4 537 167 B D G 34 S+ 0 0 146 1,-0.2 86,-0.0 86,-0.0 0, 0.0 0.342 101.5 57.6 -80.7 7.4 18.8 18.6 -17.3 538 168 B E G <4 S+ 0 0 17 -3,-2.1 86,-2.7 85,-0.0 2,-0.5 0.422 78.6 107.8-111.4 -6.9 18.7 16.1 -20.2 539 169 B V E << +L 623 0B 5 -3,-0.9 84,-0.3 -4,-0.5 3,-0.1 -0.633 41.0 178.8 -77.4 120.4 17.9 13.1 -18.1 540 170 B A E - 0 0 25 82,-2.4 2,-0.3 -2,-0.5 83,-0.2 0.695 65.8 -20.9 -93.2 -24.6 14.3 12.1 -18.7 541 171 B K E -L 622 0B 58 81,-1.7 81,-2.7 66,-0.0 2,-0.5 -0.888 51.9-122.5 178.5 150.8 14.4 9.2 -16.3 542 172 B L E -Lm 621 607B 0 64,-2.2 66,-2.3 -2,-0.3 2,-0.6 -0.888 23.8-160.1-104.2 127.6 16.5 6.6 -14.4 543 173 B V E -Lm 620 608B 2 77,-3.5 77,-3.2 -2,-0.5 2,-0.3 -0.919 5.2-167.9-114.6 110.8 15.8 3.0 -15.0 544 174 B L E -Lm 619 609B 0 64,-2.5 66,-2.0 -2,-0.6 2,-0.4 -0.730 13.8-139.4 -93.9 143.7 17.0 0.5 -12.4 545 175 B T E - m 0 610B 5 73,-1.0 2,-0.3 -2,-0.3 66,-0.2 -0.831 15.0-167.9-106.5 144.4 16.9 -3.2 -13.1 546 176 B A E - m 0 611B 5 64,-1.9 66,-3.6 -2,-0.4 69,-0.2 -0.956 26.4-135.0-128.5 145.4 15.9 -5.9 -10.7 547 177 B S - 0 0 39 -2,-0.3 -1,-0.1 64,-0.2 64,-0.1 0.812 37.5-131.7 -70.1 -28.8 16.3 -9.7 -11.0 548 178 B G - 0 0 3 35,-0.2 3,-0.3 64,-0.1 5,-0.1 0.230 35.8-123.8 96.1 -13.8 12.8 -10.2 -9.9 549 179 B G > - 0 0 23 1,-0.2 3,-0.7 2,-0.1 35,-0.1 -0.239 47.4 -45.7 74.2-162.1 13.8 -12.8 -7.4 550 180 B P T 3 S+ 0 0 62 0, 0.0 -1,-0.2 0, 0.0 34,-0.1 0.724 136.3 50.1 -80.1 -23.9 12.5 -16.4 -7.1 551 181 B F T > S+ 0 0 4 -3,-0.3 3,-2.4 33,-0.2 -2,-0.1 0.004 79.5 158.6-104.8 27.1 8.8 -15.6 -7.5 552 182 B R T < S+ 0 0 94 -3,-0.7 3,-0.1 1,-0.3 -3,-0.1 -0.255 72.0 2.5 -53.6 128.8 9.4 -13.5 -10.6 553 183 B G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 -5,-0.1 2,-0.1 0.631 96.8 146.7 67.7 11.4 6.2 -13.1 -12.6 554 184 B W < - 0 0 74 -3,-2.4 2,-0.2 1,-0.1 -1,-0.2 -0.356 48.9-110.5 -74.8 163.5 4.3 -15.1 -10.0 555 185 B S > - 0 0 56 -3,-0.1 4,-1.6 1,-0.1 -1,-0.1 -0.616 25.5-106.6 -95.6 155.8 0.6 -14.2 -9.4 556 186 B A T 4 S+ 0 0 53 -2,-0.2 -1,-0.1 1,-0.2 4,-0.1 0.840 122.1 51.6 -46.4 -38.7 -0.8 -12.6 -6.2 557 187 B A T >4 S+ 0 0 67 1,-0.2 3,-4.1 2,-0.2 4,-0.3 0.999 101.8 56.4 -60.7 -71.0 -2.2 -16.1 -5.4 558 188 B D G >4 S+ 0 0 67 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.720 96.5 67.3 -30.5 -39.2 1.0 -18.0 -5.8 559 189 B L G >< S+ 0 0 4 -4,-1.6 3,-0.6 1,-0.2 -1,-0.3 0.533 86.2 74.1 -66.7 -4.3 2.6 -15.7 -3.2 560 190 B E G < S+ 0 0 120 -3,-4.1 154,-0.3 1,-0.2 -1,-0.2 0.910 95.8 42.7 -77.2 -43.1 0.2 -17.2 -0.6 561 191 B H G < S+ 0 0 117 -3,-0.8 2,-0.3 -4,-0.3 -1,-0.2 0.099 86.2 137.5 -91.0 24.5 1.9 -20.6 -0.1 562 192 B V < - 0 0 9 -3,-0.6 152,-0.5 4,-0.0 -3,-0.1 -0.554 34.6-166.1 -74.8 126.5 5.3 -18.9 -0.1 563 193 B T >> - 0 0 68 -2,-0.3 4,-1.8 150,-0.1 3,-0.5 -0.777 31.1-105.9-115.2 160.1 7.7 -20.2 2.5 564 194 B P T 34>S+ 0 0 46 0, 0.0 5,-2.2 0, 0.0 -1,-0.1 0.863 116.2 48.3 -46.3 -54.6 11.1 -19.0 4.0 565 195 B E T >45S+ 0 0 138 1,-0.2 3,-1.3 3,-0.2 5,-0.1 0.840 107.7 57.4 -62.6 -32.5 13.4 -21.4 2.2 566 196 B Q T <45S+ 0 0 85 -3,-0.5 -1,-0.2 1,-0.3 4,-0.1 0.954 99.3 57.6 -62.1 -48.1 11.7 -20.8 -1.1 567 197 B A T 3<5S- 0 0 1 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-4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.901 113.1 41.6 -50.9 -48.4 10.2 2.3 5.6 697 327 B N H X S+ 0 0 4 -4,-2.0 4,-2.3 -195,-0.2 -1,-0.2 0.865 116.0 46.4 -72.6 -40.0 13.4 0.3 6.3 698 328 B A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 5,-0.2 0.928 110.8 53.3 -68.3 -44.4 12.8 -0.4 9.9 699 329 B A H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.879 111.6 46.9 -57.5 -38.8 9.2 -1.4 9.3 700 330 B N H X S+ 0 0 0 -4,-1.4 4,-3.5 -5,-0.3 5,-0.3 0.927 104.1 62.1 -68.5 -45.1 10.6 -3.9 6.7 701 331 B E H X S+ 0 0 47 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.878 113.0 34.8 -46.3 -48.7 13.3 -5.1 9.1 702 332 B E H X S+ 0 0 51 -4,-1.8 4,-2.9 2,-0.2 3,-0.3 0.949 116.0 52.9 -74.8 -50.6 10.7 -6.4 11.5 703 333 B A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.3 -2,-0.2 0.910 109.6 51.6 -50.8 -44.5 8.1 -7.5 9.0 704 334 B A H X S+ 0 0 0 -4,-3.5 4,-2.2 1,-0.2 -1,-0.3 0.891 109.8 49.2 -60.3 -40.3 10.8 -9.5 7.3 705 335 B A H X S+ 0 0 39 -4,-1.2 4,-1.0 -5,-0.3 -2,-0.2 0.930 107.8 54.2 -64.3 -45.0 11.7 -11.1 10.6 706 336 B A H ><>S+ 0 0 2 -4,-2.9 5,-0.9 1,-0.2 6,-0.9 0.893 110.4 46.7 -55.3 -44.2 8.0 -11.9 11.3 707 337 B F H ><5S+ 0 0 4 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.907 109.7 53.4 -66.2 -41.2 7.9 -13.7 7.9 708 338 B L H 3<5S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.644 110.5 48.2 -68.8 -13.5 11.2 -15.6 8.7 709 339 B A T <<5S- 0 0 54 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.162 114.7-115.8-110.0 15.5 9.6 -16.7 12.0 710 340 B G T < 5S+ 0 0 59 -3,-1.7 -3,-0.2 2,-0.2 -4,-0.1 0.260 81.9 125.2 71.2 -13.8 6.4 -17.9 10.3 711 341 B R S - 0 0 36 -2,-0.3 3,-0.9 1,-0.1 4,-0.4 -0.480 40.1 -99.7 -92.7 167.5 2.8 -14.9 5.3 714 344 B F T > S+ 0 0 9 -152,-0.5 3,-2.2 -155,-0.3 4,-0.5 0.924 119.5 49.6 -52.9 -59.0 4.7 -13.5 2.3 715 345 B P T 3> S+ 0 0 50 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.769 101.0 73.1 -54.7 -19.9 2.3 -10.9 1.0 716 346 B A H <> S+ 0 0 34 -3,-0.9 4,-2.4 1,-0.2 5,-0.2 0.678 80.7 69.4 -68.1 -21.1 2.1 -9.7 4.6 717 347 B I H <> S+ 0 0 3 -3,-2.2 4,-1.9 -4,-0.4 -1,-0.2 0.975 106.7 34.6 -63.9 -55.8 5.6 -8.2 4.6 718 348 B V H > S+ 0 0 17 -4,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.847 116.3 58.6 -68.4 -32.9 4.9 -5.2 2.3 719 349 B G H X S+ 0 0 31 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.921 107.0 45.4 -62.0 -46.3 1.4 -5.0 3.7 720 350 B I H X S+ 0 0 14 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.908 112.2 52.0 -64.3 -40.3 2.7 -4.5 7.2 721 351 B I H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.909 107.3 54.4 -59.8 -42.0 5.2 -1.9 5.9 722 352 B A H X S+ 0 0 35 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.936 109.0 48.0 -56.2 -49.5 2.2 -0.2 4.2 723 353 B D H >X S+ 0 0 82 -4,-2.2 3,-0.7 1,-0.2 4,-0.6 0.974 109.7 50.2 -54.2 -63.9 0.4 0.0 7.6 724 354 B V H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.791 111.5 48.4 -47.6 -39.4 3.4 1.4 9.6 725 355 B L H >< S+ 0 0 17 -4,-1.9 3,-1.4 1,-0.2 -1,-0.3 0.858 102.5 61.7 -73.8 -33.9 4.1 4.2 7.0 726 356 B H H << S+ 0 0 171 -4,-1.7 -1,-0.2 -3,-0.7 -2,-0.2 0.607 111.0 41.7 -67.7 -9.2 0.4 5.2 6.8 727 357 B A T << S+ 0 0 35 -3,-0.6 3,-0.3 -4,-0.6 -1,-0.3 0.302 95.3 78.2-119.3 7.5 0.7 6.1 10.5 728 358 B A X + 0 0 0 -3,-1.4 3,-4.1 1,-0.2 4,-0.2 0.204 46.0 129.2-103.0 16.4 4.1 7.8 10.7 729 359 B D G > + 0 0 124 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.695 69.1 65.5 -42.6 -24.0 3.0 11.2 9.3 730 360 B Q G > S+ 0 0 108 -3,-0.3 3,-0.8 1,-0.2 -1,-0.3 0.727 91.7 61.4 -73.4 -22.8 4.8 12.6 12.3 731 361 B W G < S+ 0 0 41 -3,-4.1 -40,-2.5 1,-0.2 -39,-0.3 0.198 73.2 96.4 -90.0 17.0 8.1 11.4 11.0 732 362 B A G < + 0 0 39 -3,-1.0 -1,-0.2 -42,-0.2 -2,-0.1 0.615 62.2 106.3 -78.3 -13.3 7.8 13.5 7.8 733 363 B V S < S- 0 0 105 -3,-0.8 -42,-0.5 -43,-0.1 -41,-0.1 -0.353 84.9-102.9 -68.0 145.1 10.0 16.1 9.7 734 364 B E - 0 0 103 -44,-0.2 -1,-0.1 -43,-0.1 2,-0.1 -0.506 39.7-117.1 -68.6 129.0 13.6 16.5 8.6 735 365 B P - 0 0 3 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.444 25.8-169.9 -68.4 143.2 15.9 14.8 11.2 736 366 B A + 0 0 67 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.791 68.6 18.0 -99.7 -39.9 18.2 17.2 13.0 737 367 B T S >> S- 0 0 74 1,-0.0 3,-1.6 0, 0.0 4,-0.9 -0.853 84.6-101.7-129.4 164.8 20.5 14.8 14.7 738 368 B V H 3> S+ 0 0 11 -2,-0.3 4,-2.0 1,-0.3 3,-0.4 0.807 120.3 63.0 -55.7 -29.7 21.4 11.1 14.4 739 369 B D H 3> S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.796 92.2 63.5 -67.9 -26.6 19.1 10.4 17.3 740 370 B D H <> S+ 0 0 51 -3,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.895 107.1 44.0 -62.9 -38.5 16.1 11.7 15.3 741 371 B V H X S+ 0 0 0 -4,-0.9 4,-1.8 -3,-0.4 -2,-0.2 0.916 111.4 51.1 -72.1 -46.8 16.7 8.8 12.9 742 372 B L H X S+ 0 0 49 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.890 109.7 52.3 -60.4 -38.3 17.2 6.1 15.5 743 373 B D H X S+ 0 0 69 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.955 105.0 53.7 -63.1 -49.9 14.0 7.2 17.2 744 374 B A H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.864 113.8 44.0 -52.6 -37.1 12.0 6.9 14.0 745 375 B Q H X S+ 0 0 8 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.914 109.0 53.5 -75.6 -43.5 13.3 3.4 13.6 746 376 B R H X S+ 0 0 124 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.904 115.2 46.6 -54.9 -38.1 12.8 2.4 17.2 747 377 B W H X S+ 0 0 54 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.943 108.3 50.7 -68.2 -56.3 9.2 3.6 16.6 748 378 B A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.840 108.4 53.7 -55.5 -36.9 8.5 1.9 13.3 749 379 B R H X S+ 0 0 78 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.959 108.6 49.7 -63.0 -49.6 9.6 -1.5 14.7 750 380 B E H X S+ 0 0 107 -4,-1.4 4,-1.7 -5,-0.3 -2,-0.2 0.959 114.0 44.0 -51.6 -58.2 7.2 -1.1 17.6 751 381 B R H X S+ 0 0 92 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.862 115.3 48.9 -57.3 -39.7 4.3 -0.2 15.3 752 382 B A H X S+ 0 0 0 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.901 108.2 53.3 -68.8 -39.0 5.2 -3.0 12.9 753 383 B Q H X S+ 0 0 87 -4,-3.2 4,-2.1 1,-0.2 6,-0.2 0.817 107.9 53.6 -63.6 -31.5 5.5 -5.6 15.7 754 384 B R H X>S+ 0 0 133 -4,-1.7 5,-1.9 -5,-0.2 4,-1.0 0.957 104.8 51.5 -66.3 -54.3 2.0 -4.6 16.8 755 385 B A H <5S+ 0 0 30 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.735 110.4 52.4 -57.1 -24.5 0.5 -5.1 13.3 756 386 B V H <5S+ 0 0 25 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.978 115.0 36.3 -75.6 -63.4 2.1 -8.6 13.4 757 387 B S H <5S- 0 0 75 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.559 113.8-124.4 -65.6 -2.9 0.7 -9.7 16.7 758 388 B G T <5 0 0 65 -4,-1.0 -3,-0.2 -5,-0.2 -4,-0.1 0.683 360.0 360.0 67.7 20.4 -2.3 -7.8 15.6 759 389 B M < 0 0 156 -5,-1.9 -4,-0.2 -6,-0.2 -1,-0.1 -0.308 360.0 360.0 -92.6 360.0 -2.2 -5.6 18.8