==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 02-OCT-08 2V57 . COMPND 2 MOLECULE: TETR FAMILY TRANSCRIPTIONAL REPRESSOR LFRR; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR M.BELLINZONI,S.BURONI,G.RICCARDI,E.DE ROSSI,P.M.ALZARI . 695 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31866.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 527 75.8 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 405 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.9 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 2 2 0 10 6 2 0 0 0 4 5 0 2 1 4 0 0 0 2 2 0 0 0 0 0 0 0 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 12 A E > 0 0 109 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -43.0 15.7 18.6 1.9 2 13 A R H > + 0 0 224 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.932 360.0 46.3 -60.9 -45.9 19.3 17.9 1.1 3 14 A T H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 111.9 50.9 -64.9 -42.9 20.4 18.6 4.7 4 15 A R H > S+ 0 0 126 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.923 111.6 49.0 -58.5 -43.9 17.6 16.5 6.1 5 16 A R H X S+ 0 0 149 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.909 108.4 52.6 -63.0 -40.8 18.7 13.7 3.7 6 17 A A H X S+ 0 0 34 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.931 111.3 47.7 -61.9 -42.9 22.4 14.1 4.8 7 18 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.930 113.8 45.0 -63.2 -47.2 21.3 13.7 8.5 8 19 A L H X S+ 0 0 13 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.876 112.9 50.5 -69.2 -37.1 19.1 10.7 8.0 9 20 A D H X S+ 0 0 34 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.910 111.5 49.3 -63.0 -41.8 21.7 8.9 5.7 10 21 A A H X S+ 0 0 2 -4,-2.1 4,-3.0 -5,-0.3 5,-0.3 0.888 109.1 52.5 -65.4 -37.4 24.3 9.6 8.4 11 22 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.4 0.929 110.4 48.3 -63.1 -44.4 21.9 8.2 11.0 12 23 A M H X S+ 0 0 29 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.937 115.2 44.3 -58.8 -48.2 21.5 5.0 8.9 13 24 A L H < S+ 0 0 121 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.922 121.7 37.5 -65.0 -44.9 25.2 4.6 8.5 14 25 A V H >X S+ 0 0 21 -4,-3.0 4,-2.6 -5,-0.2 3,-1.1 0.937 116.5 46.0 -76.5 -48.6 26.1 5.3 12.0 15 26 A L H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 -5,-0.3 -3,-0.2 0.811 100.2 69.4 -71.8 -25.0 23.4 3.7 14.0 16 27 A A T 3< S+ 0 0 18 -4,-1.4 -1,-0.3 -5,-0.4 -2,-0.2 0.811 118.8 21.1 -58.6 -30.5 23.5 0.5 12.0 17 28 A D T <4 S+ 0 0 116 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.682 136.4 34.1-108.3 -29.3 26.9 -0.2 13.6 18 29 A H >< + 0 0 114 -4,-2.6 3,-2.4 -5,-0.1 -1,-0.2 -0.698 63.3 178.1-133.2 78.7 26.8 1.9 16.7 19 30 A P T 3 S+ 0 0 19 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.596 83.2 48.1 -63.6 -15.6 23.2 2.0 18.0 20 31 A T T 3 S+ 0 0 84 -5,-0.0 -5,-0.1 2,-0.0 256,-0.0 0.228 81.8 145.4-105.9 12.7 24.1 4.1 21.1 21 32 A A < - 0 0 8 -3,-2.4 2,-0.1 -7,-0.1 -6,-0.0 -0.135 53.0-110.0 -53.8 143.1 26.1 6.7 19.1 22 33 A A >> - 0 0 55 1,-0.1 4,-1.5 4,-0.0 3,-0.9 -0.340 23.7-114.3 -69.2 153.5 25.9 10.3 20.3 23 34 A L H 3> S+ 0 0 44 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.806 118.5 64.6 -59.4 -26.7 24.1 12.8 18.2 24 35 A G H 3> S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.887 99.4 50.1 -60.9 -41.6 27.5 14.3 17.7 25 36 A D H <> S+ 0 0 99 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.875 112.0 47.9 -66.2 -37.7 28.7 11.3 15.8 26 37 A I H X S+ 0 0 0 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.934 111.4 49.6 -68.5 -46.4 25.7 11.4 13.6 27 38 A A H >X>S+ 0 0 2 -4,-2.8 5,-2.5 1,-0.2 3,-0.8 0.932 110.6 50.7 -55.3 -49.5 26.1 15.1 12.9 28 39 A A H ><5S+ 0 0 74 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.908 107.7 52.4 -57.3 -43.6 29.8 14.6 12.0 29 40 A A H 3<5S+ 0 0 58 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.725 110.4 49.5 -66.9 -21.4 29.0 11.8 9.6 30 41 A A H <<5S- 0 0 18 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.511 115.1-116.0 -93.0 -8.7 26.5 14.1 7.9 31 42 A G T <<5S+ 0 0 70 -3,-1.1 2,-0.3 -4,-0.7 -3,-0.2 0.718 79.7 108.0 82.3 20.7 29.0 16.9 7.6 32 43 A V < - 0 0 33 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.2 -0.841 68.8-106.1-128.8 162.4 26.9 19.1 9.8 33 44 A G > - 0 0 40 -2,-0.3 4,-1.5 -3,-0.1 3,-0.4 -0.379 34.7-106.8 -80.9 165.6 27.0 20.5 13.4 34 45 A R H > S+ 0 0 169 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.881 118.9 58.5 -55.7 -42.3 24.9 19.4 16.3 35 46 A S H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.860 101.9 56.9 -61.1 -32.9 22.8 22.5 16.2 36 47 A T H > S+ 0 0 23 -3,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.963 108.4 44.0 -60.3 -52.9 21.9 21.6 12.7 37 48 A V H >X S+ 0 0 3 -4,-1.5 4,-3.6 1,-0.2 3,-0.6 0.928 113.0 53.7 -56.9 -44.7 20.5 18.2 13.7 38 49 A H H 3< S+ 0 0 111 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.856 101.2 59.2 -57.0 -39.9 18.7 19.8 16.6 39 50 A R H 3< S+ 0 0 161 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.845 118.0 30.9 -63.9 -33.8 17.0 22.3 14.4 40 51 A Y H << S+ 0 0 66 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.827 135.3 26.7 -87.8 -37.7 15.4 19.5 12.4 41 52 A Y < - 0 0 19 -4,-3.6 -1,-0.2 -5,-0.2 6,-0.2 -0.814 62.6-175.2-135.4 89.0 15.1 17.0 15.3 42 53 A P S S+ 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.770 75.1 34.0 -55.9 -33.7 14.9 18.6 18.8 43 54 A E S > S- 0 0 130 1,-0.1 4,-1.7 -5,-0.0 3,-0.5 -0.911 82.9-117.7-127.6 155.3 14.9 15.2 20.6 44 55 A R H > S+ 0 0 81 -2,-0.3 4,-2.7 1,-0.3 5,-0.2 0.870 116.5 57.1 -56.1 -39.1 16.6 11.9 19.9 45 56 A T H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.901 102.6 54.9 -61.3 -40.0 13.3 10.3 19.6 46 57 A D H > S+ 0 0 66 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.920 110.9 45.1 -55.1 -48.9 12.3 12.8 16.8 47 58 A L H X S+ 0 0 1 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.910 112.0 51.6 -62.7 -44.4 15.4 11.8 14.8 48 59 A L H X S+ 0 0 2 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.875 111.5 46.2 -63.8 -39.3 14.9 8.0 15.4 49 60 A R H X S+ 0 0 77 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.876 113.1 49.0 -72.7 -37.4 11.2 8.2 14.2 50 61 A A H X S+ 0 0 23 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.892 111.5 51.7 -61.0 -41.7 12.2 10.3 11.1 51 62 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.913 108.9 49.9 -60.8 -45.5 15.0 7.7 10.5 52 63 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.926 110.6 49.2 -62.9 -45.0 12.5 4.9 10.7 53 64 A R H X S+ 0 0 106 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.895 111.4 49.8 -60.2 -41.5 10.1 6.6 8.2 54 65 A H H X S+ 0 0 34 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.914 110.7 49.4 -64.8 -42.8 13.0 7.2 5.8 55 66 A V H X S+ 0 0 4 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.910 110.9 49.6 -63.8 -42.1 14.1 3.6 6.0 56 67 A H H X S+ 0 0 12 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.915 109.8 51.7 -63.3 -41.2 10.6 2.3 5.4 57 68 A D H X S+ 0 0 64 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.907 110.6 48.0 -61.9 -42.3 10.3 4.7 2.4 58 69 A L H X S+ 0 0 62 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.869 110.6 52.3 -64.8 -36.9 13.6 3.3 1.0 59 70 A S H X S+ 0 0 12 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.937 110.1 48.1 -64.0 -47.4 12.3 -0.2 1.6 60 71 A N H X S+ 0 0 30 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.861 110.1 51.8 -60.0 -38.1 9.1 0.5 -0.3 61 72 A A H X S+ 0 0 41 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.899 108.3 52.1 -66.6 -37.8 11.1 2.1 -3.2 62 73 A A H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.860 108.7 50.8 -66.5 -36.3 13.2 -1.0 -3.4 63 74 A I H X S+ 0 0 1 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.956 112.2 45.9 -64.8 -46.8 10.1 -3.2 -3.6 64 75 A E H < S+ 0 0 140 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.912 113.9 49.3 -61.1 -44.0 8.7 -1.1 -6.4 65 76 A R H < S+ 0 0 183 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.879 107.5 54.1 -62.3 -40.0 12.0 -1.1 -8.2 66 77 A A H < S- 0 0 7 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.756 94.9-152.2 -66.3 -25.4 12.3 -4.9 -7.8 67 78 A D >< - 0 0 77 -4,-1.3 3,-1.9 -3,-0.4 -3,-0.1 0.953 9.0-163.7 52.0 69.6 8.8 -5.2 -9.5 68 79 A P T 3 S+ 0 0 6 0, 0.0 8,-0.1 0, 0.0 -1,-0.1 0.748 80.2 53.2 -60.0 -32.3 7.7 -8.5 -7.8 69 80 A T T 3 S+ 0 0 56 7,-0.1 2,-0.6 51,-0.0 -2,-0.1 0.483 88.0 100.4 -84.2 -1.3 4.8 -9.4 -10.1 70 81 A S S < S- 0 0 58 -3,-1.9 0, 0.0 -4,-0.1 0, 0.0 -0.748 86.9 -24.6 -89.8 121.5 7.0 -9.1 -13.2 71 82 A G S S- 0 0 50 -2,-0.6 5,-0.0 4,-0.1 0, 0.0 -0.141 109.8 -5.3 76.0-173.8 8.3 -12.3 -14.7 72 83 A P > - 0 0 103 0, 0.0 4,-2.0 0, 0.0 5,-0.1 -0.202 65.4-125.7 -58.0 143.2 9.0 -15.7 -13.1 73 84 A V H > S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.819 103.9 54.8 -63.1 -39.5 8.5 -15.9 -9.3 74 85 A D H > S+ 0 0 63 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.975 112.4 41.2 -60.9 -55.6 11.9 -17.2 -8.4 75 86 A A H > S+ 0 0 47 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.878 115.9 53.2 -58.9 -38.8 13.9 -14.5 -10.2 76 87 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.920 108.3 47.2 -64.9 -48.0 11.4 -11.9 -8.9 77 88 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.893 109.8 55.1 -62.6 -37.8 11.7 -12.9 -5.2 78 89 A R H X S+ 0 0 57 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.902 106.9 50.1 -60.9 -41.2 15.5 -12.9 -5.5 79 90 A R H X S+ 0 0 88 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.895 113.0 47.3 -60.3 -43.1 15.4 -9.3 -6.8 80 91 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.956 114.3 45.8 -62.1 -50.5 13.2 -8.4 -3.9 81 92 A V H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.911 111.6 51.4 -61.4 -44.9 15.4 -10.1 -1.4 82 93 A E H X S+ 0 0 66 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.938 113.5 43.9 -58.3 -48.9 18.7 -8.7 -2.8 83 94 A S H < S+ 0 0 23 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.2 0.826 112.6 51.1 -74.8 -29.1 17.4 -5.1 -2.7 84 95 A Q H >< S+ 0 0 2 -4,-2.3 3,-1.7 -5,-0.2 4,-0.4 0.927 109.7 51.8 -67.1 -43.4 15.9 -5.5 0.8 85 96 A L H >< S+ 0 0 10 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.853 96.9 67.9 -60.9 -32.1 19.2 -6.9 2.1 86 97 A D T 3< S+ 0 0 108 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.667 85.2 71.4 -61.7 -18.9 21.1 -3.9 0.5 87 98 A L T < S- 0 0 27 -3,-1.7 3,-0.5 -4,-0.3 -1,-0.3 0.793 95.8-155.5 -65.7 -29.8 19.4 -1.7 3.2 88 99 A G X - 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0 0 11 -3,-2.4 -3,-0.0 -7,-0.1 -6,-0.0 -0.229 52.1-117.5 -53.5 132.2 7.4 2.6 30.4 198 33 B A >> - 0 0 48 1,-0.1 4,-2.0 4,-0.0 3,-0.6 -0.266 20.5-112.3 -67.5 155.4 9.5 4.4 33.0 199 34 B L H 3> S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.873 119.3 55.8 -54.7 -38.5 11.2 2.6 35.8 200 35 B G H 3> S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.821 104.0 52.7 -65.3 -32.5 8.8 4.2 38.3 201 36 B D H <> S+ 0 0 89 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.895 109.4 49.0 -71.2 -38.8 5.8 2.9 36.3 202 37 B I H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.895 108.1 56.0 -63.9 -38.3 7.3 -0.6 36.6 203 38 B A H >X>S+ 0 0 1 -4,-2.2 5,-2.2 1,-0.2 3,-0.8 0.953 106.2 49.4 -57.1 -50.9 7.8 -0.0 40.3 204 39 B A H ><5S+ 0 0 73 -4,-2.1 3,-1.1 1,-0.3 -1,-0.2 0.902 108.9 52.0 -56.7 -43.5 4.1 0.7 40.8 205 40 B A H 3<5S+ 0 0 60 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.729 110.0 50.7 -66.5 -22.7 3.2 -2.4 38.8 206 41 B A H <<5S- 0 0 19 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.510 115.4-117.4 -90.1 -8.6 5.5 -4.4 41.2 207 42 B G T <<5S+ 0 0 68 -3,-1.1 2,-0.3 -4,-0.8 -3,-0.2 0.753 77.2 112.7 78.3 24.6 3.9 -2.9 44.3 208 43 B V < - 0 0 33 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.2 -0.891 69.4 -99.4-127.4 158.8 7.1 -1.2 45.4 209 44 B G > - 0 0 38 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.372 26.9-119.3 -75.3 154.0 8.3 2.4 45.7 210 45 B R H > S+ 0 0 141 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.891 118.4 56.9 -54.8 -38.8 10.4 4.2 43.1 211 46 B S H > S+ 0 0 92 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.913 107.5 46.7 -58.7 -45.3 12.9 4.6 45.9 212 47 B T H >> S+ 0 0 34 1,-0.2 3,-1.1 2,-0.2 4,-0.6 0.912 107.1 56.1 -65.3 -44.1 13.0 0.8 46.5 213 48 B V H >X S+ 0 0 0 -4,-2.5 4,-3.5 1,-0.3 3,-1.3 0.875 101.9 58.1 -59.5 -34.7 13.4 -0.1 42.8 214 49 B H H 3< S+ 0 0 69 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.749 97.1 60.2 -71.0 -21.0 16.5 2.1 42.6 215 50 B R H << S+ 0 0 184 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.631 116.5 34.6 -75.5 -15.1 18.2 0.0 45.3 216 51 B Y H << S+ 0 0 59 -3,-1.3 -2,-0.2 -4,-0.6 -3,-0.1 0.785 138.1 14.6-100.6 -45.8 17.8 -2.9 43.0 217 52 B Y < - 0 0 17 -4,-3.5 -1,-0.3 -5,-0.1 -2,-0.1 -0.913 64.5-166.3-133.9 104.0 18.2 -1.2 39.6 218 53 B P S S+ 0 0 84 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.813 77.8 23.7 -63.8 -32.1 19.8 2.3 39.9 219 54 B E S >> S- 0 0 130 1,-0.1 4,-1.2 -20,-0.0 3,-1.1 -0.936 82.8-113.8-132.5 156.0 18.9 3.2 36.2 220 55 B R H >> S+ 0 0 73 -2,-0.3 4,-2.2 1,-0.3 3,-0.6 0.882 115.4 59.8 -53.9 -43.1 16.3 1.9 33.8 221 56 B T H 3> S+ 0 0 42 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.818 100.1 56.6 -58.7 -30.9 19.0 0.5 31.6 222 57 B D H <> S+ 0 0 53 -3,-1.1 4,-2.1 2,-0.2 -1,-0.3 0.855 107.4 48.3 -68.3 -36.0 20.2 -1.8 34.5 223 58 B L H < S+ 0 0 150 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.913 108.2 53.5 -63.1 -45.2 15.0 -28.3 29.5 241 76 B R H 3< S+ 0 0 188 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.716 96.9 68.0 -66.2 -21.9 11.5 -28.7 30.8 242 77 B A T 3< S- 0 0 10 -4,-1.2 -1,-0.3 -3,-0.2 4,-0.2 0.427 100.2-132.8 -79.1 2.1 10.3 -29.8 27.4 243 78 B D X - 0 0 40 -3,-1.6 3,-2.4 1,-0.2 -3,-0.1 0.934 27.3-166.0 43.0 60.5 12.4 -33.0 27.6 244 79 B P T 3 S+ 0 0 31 0, 0.0 -1,-0.2 0, 0.0 12,-0.1 0.558 76.9 45.7 -61.4 -12.6 13.6 -32.3 24.1 245 80 B T T 3 S+ 0 0 117 7,-0.1 2,-0.5 8,-0.0 -2,-0.1 0.384 85.7 108.5-110.8 2.9 15.1 -35.7 23.5 246 81 B S S < S- 0 0 64 -3,-2.4 6,-0.0 -4,-0.2 0, 0.0 -0.688 80.2 -30.6 -87.5 127.0 12.2 -37.9 24.7 247 82 B G S S+ 0 0 57 -2,-0.5 5,-0.1 4,-0.1 0, 0.0 -0.077 110.7 11.5 73.9-167.7 10.1 -39.8 22.2 248 83 B P > - 0 0 90 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.157 68.1-132.5 -48.3 133.2 9.2 -39.0 18.6 249 84 B V H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.797 102.6 55.2 -66.5 -29.0 11.3 -36.1 17.3 250 85 B D H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.944 110.9 43.2 -69.1 -46.3 8.3 -34.3 15.8 251 86 B A H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.869 114.0 53.1 -64.2 -37.0 6.3 -34.2 19.1 252 87 B A H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.935 108.5 48.8 -63.5 -45.4 9.6 -33.3 20.9 253 88 B L H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.899 109.2 54.0 -61.1 -41.1 10.1 -30.4 18.5 254 89 B R H X S+ 0 0 68 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.925 106.7 51.1 -58.8 -44.1 6.5 -29.3 19.1 255 90 B R H X S+ 0 0 76 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.898 109.9 50.7 -59.6 -39.9 7.1 -29.3 22.9 256 91 B V H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.934 110.0 48.8 -63.7 -47.2 10.2 -27.1 22.4 257 92 B V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.933 113.2 47.6 -55.9 -49.2 8.3 -24.6 20.2 258 93 B E H X S+ 0 0 46 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.927 107.2 56.7 -57.8 -46.2 5.5 -24.5 22.8 259 94 B S H < S+ 0 0 19 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.879 114.0 39.0 -55.6 -41.9 8.0 -24.0 25.6 260 95 B Q H >< S+ 0 0 2 -4,-1.9 3,-1.4 1,-0.2 4,-0.4 0.846 111.4 56.2 -78.2 -37.0 9.4 -20.9 23.9 261 96 B L H >< S+ 0 0 14 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.896 100.3 62.0 -59.0 -36.0 6.1 -19.5 22.7 262 97 B D T 3< S+ 0 0 92 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.570 82.7 78.1 -72.6 -6.9 4.9 -19.6 26.3 263 98 B L T < S- 0 0 24 -3,-1.4 3,-0.4 -5,-0.1 -1,-0.3 0.781 96.7-144.8 -68.2 -26.9 7.6 -17.1 27.3 264 99 B G X - 0 0 18 -3,-1.8 3,-1.7 -4,-0.4 4,-0.2 -0.131 32.3 -47.0 88.3 176.2 5.3 -14.4 25.7 265 100 B P T >> S+ 0 0 39 0, 0.0 3,-1.3 0, 0.0 4,-0.7 0.502 111.8 87.1 -67.9 -5.5 5.9 -11.2 23.7 266 101 B I H >> S+ 0 0 3 -3,-0.4 4,-2.2 1,-0.3 3,-0.8 0.803 77.5 71.3 -62.8 -23.9 8.6 -9.9 26.1 267 102 B V H <> S+ 0 0 7 -3,-1.7 4,-2.2 1,-0.3 -1,-0.3 0.849 90.9 57.2 -58.9 -31.6 11.0 -11.9 24.0 268 103 B L H <4 S+ 0 0 25 -3,-1.3 4,-0.4 1,-0.2 -1,-0.3 0.818 107.7 48.7 -65.7 -31.8 10.4 -9.3 21.2 269 104 B F H << S+ 0 0 22 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.923 121.2 32.0 -74.6 -42.4 11.6 -6.7 23.6 270 105 B V H >< S+ 0 0 4 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.661 93.4 88.5 -94.6 -14.7 14.8 -8.5 24.8 271 106 B Y T 3< S+ 0 0 45 -4,-2.2 -1,-0.2 1,-0.3 -3,-0.1 0.888 102.1 26.4 -51.2 -50.9 15.9 -10.5 21.7 272 107 B Y T >> S+ 0 0 19 -4,-0.4 4,-2.7 1,-0.2 3,-0.6 0.263 90.2 112.9-100.7 9.5 18.1 -7.8 20.0 273 108 B E H <> + 0 0 9 -3,-1.2 4,-2.9 1,-0.2 6,-0.2 0.804 68.2 58.5 -57.1 -38.7 18.9 -6.0 23.2 274 109 B P H 34>S+ 0 0 15 0, 0.0 5,-2.8 0, 0.0 -1,-0.2 0.928 114.6 40.1 -57.2 -39.8 22.7 -6.8 23.3 275 110 B S H X45S+ 0 0 35 -3,-0.6 3,-1.3 3,-0.2 -2,-0.2 0.942 114.3 51.9 -70.7 -47.7 22.9 -5.1 20.0 276 111 B I H 3<5S+ 0 0 19 -4,-2.7 -1,-0.2 1,-0.3 -3,-0.2 0.880 119.8 35.4 -57.4 -40.5 20.6 -2.3 20.9 277 112 B L T 3<5S- 0 0 28 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.361 104.1-127.4 -93.2 3.7 22.5 -1.5 24.0 278 113 B A T < 5 + 0 0 52 -3,-1.3 -3,-0.2 1,-0.2 3,-0.1 0.948 55.6 155.3 44.4 58.5 25.9 -2.3 22.5 279 114 B D >>< + 0 0 19 -5,-2.8 4,-1.8 -6,-0.2 3,-0.6 -0.836 25.8 179.0-124.4 86.5 26.4 -4.7 25.5 280 115 B P H 3> S+ 0 0 103 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.777 83.3 61.0 -59.6 -30.2 28.9 -7.4 24.6 281 116 B E H 3> S+ 0 0 129 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.896 105.8 45.2 -65.2 -38.8 28.6 -8.8 28.1 282 117 B L H <> S+ 0 0 2 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.861 110.0 55.9 -72.1 -33.1 24.9 -9.4 27.6 283 118 B A H X S+ 0 0 35 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.909 107.7 48.6 -62.2 -42.3 25.7 -10.9 24.2 284 119 B A H X S+ 0 0 44 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.883 109.7 52.7 -63.8 -39.8 28.0 -13.4 26.0 285 120 B Y H >< S+ 0 0 66 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.926 107.9 50.1 -59.7 -46.4 25.3 -14.2 28.5 286 121 B F H 3< S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.733 99.9 67.5 -64.6 -28.2 22.8 -15.0 25.6 287 122 B D H >< S+ 0 0 95 -4,-1.2 3,-2.0 -5,-0.2 2,-0.4 0.828 77.2 95.7 -60.9 -33.6 25.3 -17.3 24.0 288 123 B I T << S+ 0 0 124 -3,-1.0 -52,-0.1 -4,-0.8 -3,-0.0 -0.464 101.2 3.3 -72.4 119.9 25.2 -19.8 26.8 289 124 B G T > S+ 0 0 37 -2,-0.4 3,-1.1 -53,-0.0 4,-0.4 0.383 93.6 121.1 90.5 -1.9 22.7 -22.6 26.0 290 125 B D T < + 0 0 35 -3,-2.0 4,-0.4 1,-0.2 -2,-0.1 0.561 65.4 60.6 -78.9 -3.5 22.0 -21.2 22.5 291 126 B E T 3> S+ 0 0 96 -4,-0.3 4,-2.1 2,-0.1 -1,-0.2 0.628 82.6 81.0 -90.7 -14.9 23.2 -24.4 20.7 292 127 B A H <> S+ 0 0 43 -3,-1.1 4,-2.3 1,-0.2 5,-0.2 0.917 90.5 51.1 -58.5 -46.5 20.6 -26.7 22.3 293 128 B I H > S+ 0 0 6 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.878 109.2 51.6 -56.2 -40.7 17.8 -25.6 19.9 294 129 B V H > S+ 0 0 20 -4,-0.4 4,-3.0 2,-0.2 5,-0.3 0.892 108.7 50.4 -64.2 -42.7 20.1 -26.3 16.9 295 130 B E H X S+ 0 0 105 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.898 111.1 49.8 -60.8 -41.2 20.9 -29.8 18.3 296 131 B V H < S+ 0 0 21 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.890 114.3 44.2 -65.5 -40.5 17.2 -30.4 18.6 297 132 B L H >< S+ 0 0 0 -4,-2.3 3,-1.1 2,-0.2 -2,-0.2 0.920 115.2 46.5 -69.7 -45.8 16.5 -29.2 15.0 298 133 B N H >< S+ 0 0 96 -4,-3.0 3,-1.1 1,-0.3 -2,-0.2 0.842 110.0 54.2 -66.4 -33.3 19.4 -31.1 13.4 299 134 B R T 3< S+ 0 0 193 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.472 108.5 50.4 -82.4 -1.8 18.5 -34.2 15.3 300 135 B A T < S+ 0 0 4 -3,-1.1 2,-0.4 -4,-0.1 -1,-0.2 0.288 98.6 87.2-109.9 5.7 15.0 -34.0 13.9 301 136 B S < - 0 0 26 -3,-1.1 -130,-0.2 -130,-0.1 -132,-0.0 -0.898 57.4-159.8-118.3 138.8 16.1 -33.6 10.3 302 137 B T S S+ 0 0 87 -132,-2.2 2,-0.2 -2,-0.4 -1,-0.1 0.551 81.3 42.4 -88.0 -10.5 17.0 -36.2 7.7 303 138 B E 0 0 140 -133,-0.2 -133,-0.2 -5,-0.0 -2,-0.1 -0.620 360.0 360.0-121.6-177.1 19.0 -33.7 5.6 304 139 B R 0 0 124 -2,-0.2 -135,-0.0 -135,-0.1 -6,-0.0 0.091 360.0 360.0-115.5 360.0 21.6 -31.0 6.2 305 ! 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 0.0 306 142 B Y 0 0 96 0, 0.0 3,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 139.7 22.7 -23.7 5.2 307 143 B P > - 0 0 26 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.086 360.0 -65.0 -57.8 159.8 25.4 -21.3 6.5 308 144 B P T 3 S+ 0 0 121 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.235 120.8 7.1 -52.3 127.2 26.5 -21.1 10.1 309 145 B G T 3> S+ 0 0 20 -3,-0.1 4,-2.5 1,-0.0 5,-0.2 0.360 92.0 120.4 84.5 -4.0 23.8 -20.0 12.5 310 146 B W H <> S+ 0 0 4 -3,-2.0 4,-2.5 1,-0.2 5,-0.2 0.926 74.2 46.2 -61.5 -49.3 21.1 -20.0 9.9 311 147 B A H > S+ 0 0 20 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.910 113.0 50.4 -62.6 -42.8 18.8 -22.6 11.6 312 148 B R H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.947 113.1 45.6 -59.7 -49.3 19.2 -20.8 14.9 313 149 B R H X S+ 0 0 30 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.858 113.0 49.1 -64.0 -38.6 18.3 -17.4 13.4 314 150 B V H X S+ 0 0 3 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.917 108.8 54.2 -66.7 -42.2 15.3 -18.8 11.5 315 151 B F H X S+ 0 0 2 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.955 113.3 41.6 -56.2 -49.6 14.0 -20.6 14.5 316 152 B W H X S+ 0 0 35 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.841 112.6 53.8 -71.4 -31.6 14.0 -17.4 16.6 317 153 B A H X S+ 0 0 3 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.924 111.2 46.1 -66.4 -40.5 12.7 -15.2 13.7 318 154 B L H X S+ 0 0 3 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.876 108.5 56.4 -68.3 -38.8 9.7 -17.6 13.3 319 155 B M H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.916 108.0 48.5 -57.2 -41.6 9.2 -17.6 17.1 320 156 B Q H X S+ 0 0 5 -4,-1.9 4,-2.2 2,-0.3 -2,-0.2 0.848 105.3 55.7 -73.4 -30.0 8.9 -13.9 17.0 321 157 B A H X S+ 0 0 8 -4,-1.8 4,-2.5 1,-0.2 -1,-0.3 0.885 108.3 53.3 -59.4 -37.7 6.4 -14.1 14.1 322 158 B G H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.3 0.922 106.8 47.8 -62.6 -48.5 4.6 -16.3 16.6 323 159 B Y H X S+ 0 0 3 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.881 113.6 49.5 -61.0 -37.5 4.6 -13.7 19.4 324 160 B E H X S+ 0 0 87 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.925 109.4 50.0 -66.2 -46.1 3.4 -11.1 16.9 325 161 B A H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 -1,-0.2 0.860 109.0 54.7 -59.5 -34.8 0.6 -13.3 15.6 326 162 B A H ><5S+ 0 0 49 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.842 104.0 51.6 -70.5 -37.6 -0.4 -13.9 19.2 327 163 B K H 3<5S+ 0 0 106 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.799 106.9 58.3 -65.1 -27.0 -0.7 -10.2 20.0 328 164 B D T 3<5S- 0 0 118 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.186 127.3 -98.8 -89.6 16.0 -2.9 -10.2 16.9 329 165 B G T < 5 + 0 0 61 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.566 69.4 151.4 85.5 8.8 -5.3 -12.7 18.4 330 166 B M < - 0 0 19 -5,-2.4 -1,-0.3 -6,-0.1 2,-0.1 -0.589 51.1-110.6 -73.5 133.5 -4.1 -15.9 16.7 331 167 B P >> - 0 0 73 0, 0.0 4,-1.9 0, 0.0 3,-0.6 -0.390 20.1-120.3 -67.3 142.7 -4.8 -18.9 19.0 332 168 B R H 3> S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.886 110.5 52.0 -47.1 -53.2 -1.8 -20.6 20.6 333 169 B H H 3> S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.850 110.3 49.3 -58.4 -37.0 -2.4 -24.1 19.0 334 170 B Q H <> S+ 0 0 66 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.840 108.8 51.8 -71.8 -38.2 -2.6 -22.5 15.5 335 171 B I H X S+ 0 0 1 -4,-1.9 4,-2.8 -3,-0.2 5,-0.2 0.899 109.6 50.7 -63.1 -41.7 0.6 -20.6 16.0 336 172 B V H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.957 110.5 48.8 -63.6 -47.1 2.4 -23.8 17.0 337 173 B D H X S+ 0 0 52 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.889 113.4 47.7 -55.1 -43.7 1.1 -25.6 14.0 338 174 B A H X S+ 0 0 2 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.920 111.9 47.8 -68.4 -44.5 2.2 -22.8 11.7 339 175 B I H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.953 113.3 49.5 -60.6 -46.0 5.6 -22.5 13.2 340 176 B M H X S+ 0 0 16 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.927 113.1 46.2 -58.4 -45.3 6.0 -26.3 12.9 341 177 B T H X>S+ 0 0 56 -4,-2.5 4,-1.6 1,-0.2 5,-0.7 0.911 112.0 51.1 -65.7 -41.5 4.9 -26.3 9.3 342 178 B S H X5S+ 0 0 6 -4,-2.9 4,-1.1 3,-0.2 -1,-0.2 0.886 110.6 49.2 -61.7 -41.2 7.2 -23.4 8.4 343 179 B L H <5S+ 0 0 0 -4,-2.5 -175,-2.5 -5,-0.2 -174,-2.1 0.908 121.0 34.2 -62.8 -41.0 10.2 -25.1 10.0 344 180 B T H <5S+ 0 0 32 -4,-1.9 -173,-0.3 -177,-0.2 -2,-0.2 0.487 137.7 8.2-100.5 -6.1 9.6 -28.4 8.1 345 181 B S H <5S- 0 0 54 -4,-1.6 -178,-0.4 -5,-0.1 -3,-0.2 0.477 83.5-139.2-153.4 -7.3 8.2 -27.3 4.8 346 182 B G << - 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0 0 4 -4,-1.8 -1,-0.2 -5,-0.5 176,-0.2 -0.388 41.7 -76.5 75.6-164.2 -11.9 26.8 -8.4 521 183 C I S S+ 0 0 18 174,-2.2 2,-0.3 173,-0.2 175,-0.2 0.559 106.7 36.5-114.1 -9.7 -15.1 25.7 -6.6 522 184 C I - 0 0 5 173,-2.0 2,-0.5 -3,-0.2 -1,-0.1 -0.945 63.3-141.3-135.9 162.9 -14.6 27.2 -3.1 523 185 C T 0 0 72 -2,-0.3 131,-2.8 132,-0.2 132,-0.2 -0.962 360.0 360.0-125.8 115.8 -13.1 30.3 -1.5 524 186 C L 0 0 92 -2,-0.5 129,-0.1 172,-0.3 128,-0.1 -0.415 360.0 360.0 -74.6 360.0 -11.2 29.8 1.7 525 !* 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 0.0 526 9 D G > 0 0 60 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-178.4 -13.8 -16.5 10.7 527 10 D A H > + 0 0 62 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.894 360.0 47.1 -58.9 -45.4 -12.5 -18.4 7.7 528 11 D R H > S+ 0 0 199 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.898 111.6 50.4 -68.5 -40.3 -15.1 -17.2 5.2 529 12 D E H > S+ 0 0 129 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.931 113.1 47.1 -59.0 -46.5 -14.8 -13.5 6.3 530 13 D R H X S+ 0 0 116 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.892 111.0 51.2 -64.6 -41.8 -11.1 -13.7 5.9 531 14 D T H X S+ 0 0 33 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.894 109.3 50.5 -62.9 -42.3 -11.3 -15.4 2.5 532 15 D R H X S+ 0 0 99 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.928 111.4 47.9 -61.4 -45.4 -13.7 -12.7 1.2 533 16 D R H X S+ 0 0 107 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.906 110.1 53.0 -61.6 -42.1 -11.4 -10.0 2.4 534 17 D A H X S+ 0 0 35 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.906 110.8 46.5 -57.7 -44.4 -8.4 -11.7 0.7 535 18 D I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.926 115.3 45.4 -66.5 -45.3 -10.3 -11.9 -2.6 536 19 D L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.908 113.2 50.1 -64.4 -42.4 -11.4 -8.3 -2.5 537 20 D D H X S+ 0 0 75 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.885 112.2 48.0 -64.6 -38.6 -7.9 -7.1 -1.4 538 21 D A H X S+ 0 0 9 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.869 110.4 52.0 -68.3 -37.7 -6.4 -9.1 -4.3 539 22 D A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.4 0.914 105.6 55.1 -64.4 -42.6 -8.9 -7.6 -6.7 540 23 D M H < S+ 0 0 39 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.860 115.8 37.8 -58.5 -37.6 -8.1 -4.1 -5.6 541 24 D L H < S+ 0 0 49 -4,-1.3 4,-0.4 -5,-0.1 -2,-0.2 0.927 120.1 44.0 -79.1 -47.1 -4.4 -4.6 -6.3 542 25 D V H >X S+ 0 0 2 -4,-2.8 4,-2.0 1,-0.2 3,-1.2 0.916 113.2 47.2 -69.2 -46.0 -4.7 -6.7 -9.5 543 26 D L T 3< S+ 0 0 1 -4,-2.4 -1,-0.2 -5,-0.3 -3,-0.1 0.751 101.2 67.7 -71.9 -23.5 -7.4 -4.8 -11.3 544 27 D A T 34 S+ 0 0 10 -4,-0.5 -1,-0.3 -5,-0.4 -2,-0.2 0.706 119.1 21.0 -66.6 -19.3 -5.7 -1.5 -10.7 545 28 D D T <4 S+ 0 0 100 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.524 135.7 36.3-122.8 -14.7 -2.8 -2.5 -13.0 546 29 D H >< + 0 0 106 -4,-2.0 3,-2.3 -5,-0.1 -1,-0.2 -0.640 64.5 177.4-140.9 76.6 -4.5 -5.2 -15.0 547 30 D P T 3 S+ 0 0 36 0, 0.0 -95,-0.1 0, 0.0 -4,-0.1 0.687 81.5 50.3 -62.5 -21.7 -8.1 -4.1 -15.6 548 31 D T T 3 S+ 0 0 80 -97,-0.2 -5,-0.1 -96,-0.1 -96,-0.0 0.270 79.4 142.8 -98.0 12.1 -9.0 -7.1 -17.8 549 32 D A < - 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0 0 33 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.2 -0.886 69.4-100.1-126.1 158.3 -7.2 -19.4 -3.2 561 44 D G > - 0 0 39 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.369 27.5-118.6 -74.5 154.5 -8.4 -21.8 -5.9 562 45 D R H > S+ 0 0 141 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.891 118.4 57.1 -54.6 -40.0 -10.6 -20.8 -8.9 563 46 D S H > S+ 0 0 92 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.918 107.5 46.6 -57.5 -46.5 -13.1 -23.2 -7.5 564 47 D T H >> S+ 0 0 32 1,-0.2 3,-1.0 2,-0.2 4,-0.6 0.909 107.1 55.7 -65.2 -44.1 -13.1 -21.4 -4.1 565 48 D V H >X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 3,-1.2 0.870 102.2 58.7 -58.7 -34.4 -13.5 -17.9 -5.6 566 49 D H H 3< S+ 0 0 67 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.751 96.8 60.1 -69.6 -22.7 -16.6 -19.1 -7.5 567 50 D R H << S+ 0 0 187 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.623 116.2 35.1 -76.1 -14.8 -18.3 -20.0 -4.2 568 51 D Y H << S+ 0 0 60 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.1 0.802 138.2 14.0 -99.8 -45.3 -17.9 -16.4 -3.3 569 52 D Y < - 0 0 18 -4,-3.3 -1,-0.3 -5,-0.1 -2,-0.1 -0.923 64.8-166.1-135.4 102.6 -18.4 -14.7 -6.7 570 53 D P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.820 77.8 24.3 -63.4 -33.4 -19.9 -17.1 -9.3 571 54 D E S >> S- 0 0 129 1,-0.1 4,-1.1 -5,-0.0 3,-1.1 -0.938 83.1-114.1-131.1 154.8 -19.0 -14.7 -12.2 572 55 D R H >> S+ 0 0 72 -2,-0.3 4,-2.3 1,-0.3 3,-0.5 0.877 115.1 60.5 -51.4 -44.4 -16.4 -12.0 -12.6 573 56 D T H 3> S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.837 100.2 56.2 -56.6 -32.0 -19.2 -9.3 -12.8 574 57 D D H <> S+ 0 0 53 -3,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.863 107.4 48.6 -68.4 -36.8 -20.3 -10.3 -9.2 575 58 D L H < S+ 0 0 148 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.922 108.2 53.5 -63.9 -45.0 -15.0 9.6 8.9 593 76 D R H 3< S+ 0 0 179 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.714 96.7 68.3 -64.3 -22.1 -11.4 8.8 10.0 594 77 D A T 3< S- 0 0 10 -4,-1.2 -1,-0.3 -3,-0.3 4,-0.2 0.381 100.2-132.6 -79.9 4.4 -10.2 12.2 8.8 595 78 D D X - 0 0 96 -3,-1.6 3,-2.4 1,-0.2 -3,-0.1 0.910 27.6-165.9 39.6 62.1 -12.2 14.0 11.5 596 79 D P T 3 S+ 0 0 26 0, 0.0 -1,-0.2 0, 0.0 12,-0.1 0.517 76.7 45.7 -62.4 -11.0 -13.6 16.3 8.8 597 80 D T T 3 S+ 0 0 83 7,-0.1 2,-0.5 8,-0.0 -2,-0.1 0.371 85.7 108.6-112.9 4.2 -15.0 18.9 11.2 598 81 D S S < S- 0 0 60 -3,-2.4 0, 0.0 -4,-0.2 0, 0.0 -0.705 80.1 -30.8 -88.4 126.0 -12.1 19.2 13.7 599 82 D G S S+ 0 0 54 -2,-0.5 5,-0.1 4,-0.1 0, 0.0 -0.108 110.6 11.6 75.5-167.6 -10.0 22.4 13.6 600 83 D P > - 0 0 91 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.136 68.2-132.5 -47.4 134.5 -9.1 24.8 10.8 601 84 D V H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.793 102.6 55.3 -67.3 -28.6 -11.2 24.1 7.8 602 85 D D H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.950 110.7 43.3 -69.1 -47.9 -8.2 24.2 5.4 603 86 D A H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.850 113.7 53.2 -64.1 -35.1 -6.3 21.5 7.3 604 87 D A H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.941 108.5 48.8 -66.6 -44.4 -9.5 19.5 7.6 605 88 D L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.907 109.2 54.1 -59.9 -42.5 -10.1 19.6 3.9 606 89 D R H X S+ 0 0 66 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.918 106.5 51.3 -57.2 -44.3 -6.5 18.5 3.3 607 90 D R H X S+ 0 0 78 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.891 109.7 50.7 -60.9 -38.8 -7.0 15.5 5.6 608 91 D V H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.943 109.7 49.4 -65.0 -46.3 -10.1 14.6 3.6 609 92 D V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.942 113.2 47.2 -55.6 -49.2 -8.2 14.8 0.3 610 93 D E H X S+ 0 0 44 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.927 106.9 57.2 -57.8 -46.9 -5.5 12.6 1.7 611 94 D S H < S+ 0 0 19 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.868 114.2 38.7 -56.1 -39.9 -8.0 10.1 3.0 612 95 D Q H >< S+ 0 0 1 -4,-2.0 3,-1.2 2,-0.2 4,-0.3 0.838 111.7 55.9 -80.4 -35.9 -9.4 9.7 -0.5 613 96 D L H >< S+ 0 0 14 -4,-2.8 3,-2.0 1,-0.2 -2,-0.2 0.911 100.5 62.1 -58.5 -37.4 -6.1 9.8 -2.3 614 97 D D T 3< S+ 0 0 95 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.601 83.0 78.1 -70.6 -9.2 -4.9 7.0 -0.1 615 98 D L T < S- 0 0 24 -3,-1.2 3,-0.4 -5,-0.2 -1,-0.3 0.760 96.3-145.3 -67.4 -24.1 -7.6 4.7 -1.5 616 99 D G X - 0 0 18 -3,-2.0 3,-1.7 -4,-0.3 4,-0.2 -0.096 32.3 -47.0 84.3 176.6 -5.4 4.3 -4.6 617 100 D P T >> S+ 0 0 42 0, 0.0 3,-1.2 0, 0.0 4,-0.7 0.512 111.9 87.0 -69.0 -5.4 -6.0 3.9 -8.3 618 101 D I H >> S+ 0 0 3 -3,-0.4 4,-2.1 1,-0.2 3,-0.7 0.793 77.8 70.9 -62.5 -22.7 -8.7 1.2 -7.9 619 102 D V H <> S+ 0 0 8 -3,-1.7 4,-2.1 1,-0.3 -1,-0.2 0.865 91.0 57.5 -61.1 -32.4 -11.0 4.2 -7.6 620 103 D L H <4 S+ 0 0 25 -3,-1.2 4,-0.4 1,-0.2 -1,-0.3 0.825 107.6 48.7 -62.8 -32.8 -10.5 4.8 -11.3 621 104 D F H << S+ 0 0 21 -3,-0.7 -2,-0.2 -4,-0.7 -1,-0.2 0.913 121.3 31.8 -74.8 -41.1 -11.7 1.3 -12.0 622 105 D V H >< S+ 0 0 4 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.650 93.2 88.7 -95.9 -13.5 -14.9 1.5 -9.8 623 106 D Y T 3< S+ 0 0 47 -4,-2.1 -1,-0.2 1,-0.3 -3,-0.1 0.888 102.2 26.5 -55.1 -46.7 -16.0 5.2 -10.1 624 107 D Y T >> S+ 0 0 18 -4,-0.4 4,-2.8 1,-0.2 3,-0.6 0.264 89.9 113.0-103.9 10.2 -18.2 4.9 -13.2 625 108 D E H <> + 0 0 8 -3,-1.2 4,-2.8 1,-0.2 6,-0.2 0.802 68.1 58.8 -57.3 -37.2 -19.0 1.2 -12.7 626 109 D P H 34>S+ 0 0 16 0, 0.0 5,-2.8 0, 0.0 -1,-0.2 0.930 114.7 39.8 -59.1 -39.1 -22.8 1.7 -11.9 627 110 D S H X45S+ 0 0 35 -3,-0.6 3,-1.2 3,-0.2 -2,-0.2 0.942 114.2 52.2 -71.8 -48.3 -23.0 3.3 -15.4 628 111 D I H 3<5S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.3 -3,-0.2 0.886 120.0 35.2 -54.5 -41.9 -20.7 0.9 -17.1 629 112 D L T 3<5S- 0 0 28 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.358 104.3-126.7 -93.3 2.4 -22.7 -2.1 -15.8 630 113 D A T < 5 + 0 0 54 -3,-1.2 -3,-0.2 -4,-0.2 3,-0.1 0.955 55.8 155.8 46.8 56.6 -26.1 -0.4 -16.0 631 114 D D >< + 0 0 18 -5,-2.8 4,-1.9 -6,-0.2 3,-0.4 -0.834 25.5 178.3-122.5 87.9 -26.5 -1.3 -12.3 632 115 D P H > S+ 0 0 103 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.802 83.3 60.5 -59.1 -32.4 -29.0 1.1 -10.6 633 116 D E H > S+ 0 0 131 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.906 105.9 45.3 -64.5 -39.8 -28.6 -0.9 -7.4 634 117 D L H > S+ 0 0 2 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.869 110.1 55.6 -71.7 -34.0 -24.9 -0.1 -7.3 635 118 D A H X S+ 0 0 36 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.920 108.0 48.8 -60.4 -42.4 -25.8 3.5 -8.1 636 119 D A H X S+ 0 0 44 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.886 109.8 52.0 -64.2 -39.2 -28.1 3.5 -5.1 637 120 D Y H >< S+ 0 0 70 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.925 107.9 51.1 -61.8 -46.3 -25.3 2.0 -2.9 638 121 D F H 3< S+ 0 0 36 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.755 99.5 67.2 -62.3 -29.3 -22.8 4.7 -4.0 639 122 D D H >< S+ 0 0 94 -4,-1.3 3,-2.1 -5,-0.2 2,-0.4 0.835 77.2 95.8 -60.9 -33.9 -25.3 7.5 -3.1 640 123 D I T << S+ 0 0 123 -3,-1.0 -52,-0.1 -4,-0.8 -3,-0.0 -0.452 101.2 3.6 -72.7 118.8 -25.1 6.7 0.6 641 124 D G T > S+ 0 0 34 -2,-0.4 3,-1.0 -53,-0.0 4,-0.4 0.385 93.6 121.2 92.0 -1.4 -22.6 9.0 2.2 642 125 D D T < + 0 0 38 -3,-2.1 4,-0.4 1,-0.2 -2,-0.1 0.561 65.4 59.9 -78.2 -4.1 -22.0 11.0 -0.9 643 126 D E T 3> S+ 0 0 95 -4,-0.3 4,-2.1 2,-0.1 -1,-0.2 0.630 82.8 81.1 -92.5 -15.5 -23.1 14.4 0.5 644 127 D A H <> S+ 0 0 44 -3,-1.0 4,-2.4 1,-0.2 5,-0.1 0.905 90.5 51.6 -58.3 -45.4 -20.5 14.5 3.3 645 128 D I H > S+ 0 0 6 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.894 109.1 51.0 -55.7 -44.3 -17.8 15.7 1.0 646 129 D V H > S+ 0 0 21 -4,-0.4 4,-3.1 2,-0.2 5,-0.3 0.895 109.1 50.7 -60.1 -43.8 -20.1 18.5 -0.2 647 130 D E H X S+ 0 0 125 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.919 110.7 49.8 -61.7 -42.0 -20.8 19.5 3.4 648 131 D V H < S+ 0 0 13 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.884 114.6 44.0 -63.7 -39.0 -17.1 19.6 4.0 649 132 D L H >< S+ 0 0 0 -4,-2.2 3,-1.1 2,-0.2 -2,-0.2 0.916 115.7 45.4 -71.5 -46.0 -16.4 21.8 0.9 650 133 D N H >< S+ 0 0 97 -4,-3.1 3,-1.2 1,-0.3 -2,-0.2 0.844 109.8 57.5 -66.1 -32.5 -19.3 24.2 1.5 651 134 D R T 3< S+ 0 0 136 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.567 108.3 47.1 -73.6 -13.0 -18.3 24.4 5.2 652 135 D A T < S+ 0 0 8 -3,-1.1 2,-0.4 -4,-0.2 -1,-0.3 0.286 98.9 88.2-110.7 7.7 -14.8 25.5 4.0 653 136 D S < - 0 0 25 -3,-1.2 -129,-0.2 -129,-0.1 -131,-0.0 -0.908 55.5-160.2-119.2 139.0 -16.1 28.1 1.6 654 137 D T S S+ 0 0 109 -131,-2.8 2,-0.2 -2,-0.4 -130,-0.1 0.553 81.3 42.8 -87.2 -11.4 -16.9 31.8 2.1 655 138 D E 0 0 63 -132,-0.2 -132,-0.2 -5,-0.0 -2,-0.1 -0.603 360.0 360.0-121.6-176.4 -19.0 32.0 -1.1 656 139 D R 0 0 126 -2,-0.2 -134,-0.0 -134,-0.1 -6,-0.0 0.092 360.0 360.0-117.3 360.0 -21.6 29.9 -3.0 657 ! 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 0.0 658 142 D Y 0 0 96 0, 0.0 3,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 140.2 -22.7 26.3 -9.3 659 143 D P > - 0 0 29 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.079 360.0 -64.7 -57.6 159.8 -25.4 23.8 -10.5 660 144 D P T 3 S+ 0 0 123 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.257 120.8 6.4 -53.0 125.1 -26.5 20.8 -8.5 661 145 D G T 3> S+ 0 0 19 -3,-0.1 4,-2.6 3,-0.0 5,-0.2 0.384 91.9 120.9 85.3 -2.2 -23.8 18.2 -7.9 662 146 D W H <> S+ 0 0 2 -3,-2.0 4,-2.5 1,-0.2 5,-0.2 0.940 74.2 46.3 -60.6 -49.7 -21.1 20.4 -9.5 663 147 D A H > S+ 0 0 20 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.904 113.1 49.9 -63.5 -40.7 -18.9 20.5 -6.4 664 148 D R H > S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.951 112.8 46.3 -62.3 -49.3 -19.2 16.8 -5.8 665 149 D R H X S+ 0 0 36 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.853 113.0 48.6 -62.0 -38.2 -18.3 15.9 -9.4 666 150 D V H X S+ 0 0 3 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.915 108.7 54.4 -69.6 -41.3 -15.4 18.3 -9.6 667 151 D F H X S+ 0 0 1 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.949 113.1 42.1 -55.7 -48.9 -14.0 16.9 -6.3 668 152 D W H X S+ 0 0 36 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.835 112.5 52.9 -72.5 -30.6 -14.1 13.4 -7.7 669 153 D A H X S+ 0 0 3 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.915 111.5 46.9 -69.1 -39.9 -12.7 14.4 -11.1 670 154 D L H X S+ 0 0 3 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.874 108.3 55.8 -66.1 -38.0 -9.8 16.1 -9.4 671 155 D M H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.917 108.3 48.6 -60.0 -40.9 -9.2 13.1 -7.1 672 156 D Q H X S+ 0 0 6 -4,-1.9 4,-2.1 2,-0.3 -1,-0.2 0.840 105.0 55.8 -72.7 -31.4 -8.9 11.0 -10.2 673 157 D A H X S+ 0 0 9 -4,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.886 108.2 53.6 -58.8 -37.3 -6.5 13.4 -11.8 674 158 D G H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.3 0.914 106.4 48.1 -62.1 -47.0 -4.6 12.7 -8.6 675 159 D Y H X S+ 0 0 3 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.879 113.4 49.1 -63.3 -36.2 -4.7 8.9 -9.0 676 160 D E H X S+ 0 0 86 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.917 109.5 50.3 -68.4 -44.8 -3.4 9.3 -12.6 677 161 D A H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 -1,-0.2 0.864 109.1 54.3 -59.5 -35.5 -0.7 11.7 -11.5 678 162 D A H ><5S+ 0 0 47 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.858 104.2 51.7 -70.2 -39.5 0.3 9.1 -8.9 679 163 D K H 3<5S+ 0 0 104 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.803 106.9 58.3 -63.5 -27.2 0.6 6.3 -11.4 680 164 D D T 3<5S- 0 0 118 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.173 127.2 -98.8 -89.9 16.5 2.9 8.8 -13.3 681 165 D G T < 5 + 0 0 63 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.565 69.4 151.4 84.8 8.5 5.3 9.1 -10.4 682 166 D M < - 0 0 19 -5,-2.4 -1,-0.3 -6,-0.1 2,-0.1 -0.585 51.1-110.4 -73.1 134.5 4.0 12.3 -8.9 683 167 D P >> - 0 0 74 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.404 20.2-120.4 -68.1 142.1 4.8 12.4 -5.1 684 168 D R H 3> S+ 0 0 108 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.889 110.6 51.7 -46.8 -54.2 1.8 12.1 -2.7 685 169 D H H 3> S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.853 110.3 49.6 -57.8 -37.3 2.4 15.4 -0.9 686 170 D Q H <> S+ 0 0 69 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.842 108.9 51.7 -70.9 -37.7 2.6 17.3 -4.3 687 171 D I H X S+ 0 0 1 -4,-2.0 4,-2.7 -3,-0.3 5,-0.2 0.890 109.5 50.6 -63.1 -41.1 -0.6 15.8 -5.5 688 172 D V H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.951 110.3 49.0 -65.4 -47.2 -2.4 16.8 -2.4 689 173 D D H X S+ 0 0 53 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.868 113.2 48.0 -55.1 -41.4 -1.1 20.4 -2.7 690 174 D A H X S+ 0 0 2 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.925 111.7 47.7 -71.2 -44.4 -2.2 20.6 -6.3 691 175 D I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.952 113.4 49.7 -59.5 -46.5 -5.7 19.2 -5.6 692 176 D M H X S+ 0 0 16 -4,-2.8 4,-1.8 -5,-0.2 -2,-0.2 0.921 113.0 46.1 -58.9 -44.5 -6.0 21.7 -2.8 693 177 D T H X>S+ 0 0 57 -4,-2.3 4,-1.7 1,-0.2 5,-0.7 0.903 111.6 51.4 -67.2 -39.8 -4.9 24.6 -5.0 694 178 D S H X5S+ 0 0 6 -4,-2.9 4,-1.0 3,-0.2 -1,-0.2 0.889 110.6 49.1 -62.6 -40.3 -7.2 23.5 -7.8 695 179 D L H <5S+ 0 0 0 -4,-2.4 -174,-2.2 -5,-0.2 -173,-2.0 0.892 120.9 34.9 -65.0 -37.8 -10.2 23.4 -5.5 696 180 D T H <5S+ 0 0 37 -4,-1.8 -172,-0.3 -176,-0.2 -2,-0.2 0.535 137.6 7.4-101.2 -7.9 -9.5 26.8 -3.9 697 181 D S H <5S- 0 0 55 -4,-1.7 -177,-0.4 -5,-0.1 -3,-0.2 0.482 83.3-138.8-152.7 -8.5 -8.2 28.8 -6.9 698 182 D G << - 0 0 4 -4,-1.0 -180,-0.2 -5,-0.7 -181,-0.2 -0.318 31.2 -87.3 73.6-158.2 -8.3 27.0 -10.2 699 183 D I S S+ 0 0 12 -182,-2.7 2,-0.3 -183,-0.1 -181,-0.2 0.554 90.2 44.4-132.8 -19.4 -5.5 27.1 -12.8 700 184 D I - 0 0 3 -183,-2.3 2,-0.4 -222,-0.2 -222,-0.2 -0.843 57.7-140.6-127.5 171.3 -5.8 30.1 -15.2 701 185 D T 0 0 111 -224,-2.9 -183,-0.1 -2,-0.3 -182,-0.0 -0.993 360.0 360.0-132.8 125.9 -6.5 33.8 -15.1 702 186 D L 0 0 98 -2,-0.4 -225,-0.0 -276,-0.0 -2,-0.0 -0.919 360.0 360.0-109.1 360.0 -8.5 35.7 -17.7