==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 27-SEP-11 3VIB . COMPND 2 MOLECULE: MTRR; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; . AUTHOR M.KUMARASWAMI,W.M.SHAFER,R.G.BRENNAN . 782 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 621 79.4 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 . 4 0.5 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 . 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 . 18 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 508 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.0 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 0 0 0 5 3 0 0 0 4 0 0 0 2 3 9 0 2 4 0 0 0 1 0 3 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 . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 8 A A > 0 0 101 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -66.1 -67.6 51.5 10.5 2 9 A L H > + 0 0 64 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.779 360.0 53.4 -79.5 -29.0 -64.3 50.1 9.1 3 10 A K H > S+ 0 0 162 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.801 109.1 47.7 -75.1 -30.8 -63.8 53.4 7.3 4 11 A T H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 3,-0.2 0.887 109.7 51.2 -77.7 -39.6 -64.2 55.4 10.5 5 12 A K H X S+ 0 0 100 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.886 109.7 53.7 -60.8 -36.8 -61.9 53.1 12.5 6 13 A E H X S+ 0 0 81 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.795 104.9 53.0 -68.0 -31.2 -59.4 53.7 9.6 7 14 A H H X S+ 0 0 99 -4,-1.0 4,-1.6 -3,-0.2 -2,-0.2 0.940 112.6 43.3 -70.0 -46.9 -59.8 57.5 9.9 8 15 A L H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.935 112.9 53.5 -63.0 -46.0 -58.9 57.4 13.6 9 16 A M H X S+ 0 0 26 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.920 110.9 44.5 -55.6 -49.2 -56.1 54.9 13.1 10 17 A L H X S+ 0 0 54 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.809 109.4 57.8 -68.5 -27.0 -54.4 57.0 10.4 11 18 A A H X S+ 0 0 10 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.893 108.5 45.9 -68.7 -38.1 -54.9 60.1 12.7 12 19 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.949 109.9 53.5 -67.8 -48.1 -52.9 58.3 15.4 13 20 A L H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.879 108.2 53.3 -51.9 -40.4 -50.2 57.3 13.0 14 21 A E H X S+ 0 0 93 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.901 112.9 39.2 -65.7 -44.0 -49.9 60.9 11.9 15 22 A T H X S+ 0 0 1 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.783 113.0 55.4 -80.7 -24.8 -49.4 62.3 15.4 16 23 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.904 109.9 48.9 -68.2 -41.0 -47.2 59.4 16.6 17 24 A Y H < S+ 0 0 64 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.912 111.1 50.8 -62.4 -43.9 -45.0 60.2 13.6 18 25 A R H < S+ 0 0 153 -4,-1.6 282,-0.5 1,-0.2 -2,-0.2 0.823 134.1 1.1 -67.8 -37.3 -44.9 63.9 14.4 19 26 A K H < S- 0 0 44 -4,-1.9 4,-0.5 1,-0.3 -2,-0.2 0.244 104.6 -99.2-142.3 22.8 -43.9 63.7 18.1 20 27 A G X - 0 0 0 -4,-2.3 4,-0.7 3,-0.1 -1,-0.3 -0.014 37.2 -85.7 82.9 169.0 -43.4 60.1 19.1 21 28 A I T 4 S+ 0 0 0 79,-2.1 3,-0.2 75,-0.2 80,-0.1 0.887 118.8 57.5 -81.7 -41.7 -45.6 57.7 20.9 22 29 A A T 4 S+ 0 0 9 78,-0.2 -1,-0.1 1,-0.2 -2,-0.1 0.861 112.0 41.0 -58.4 -40.4 -44.8 58.7 24.5 23 30 A R T 4 S+ 0 0 87 -4,-0.5 -1,-0.2 -7,-0.1 2,-0.2 0.696 91.8 101.6 -82.7 -22.7 -45.7 62.3 24.1 24 31 A T < - 0 0 2 -4,-0.7 2,-0.3 -3,-0.2 23,-0.1 -0.448 57.7-158.0 -68.1 133.5 -48.8 61.8 22.0 25 32 A S > - 0 0 48 -2,-0.2 4,-2.2 1,-0.1 3,-0.2 -0.832 28.3-117.6-113.3 152.1 -52.1 62.1 24.0 26 33 A L H > S+ 0 0 29 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.853 116.6 55.1 -51.3 -39.7 -55.6 60.7 23.2 27 34 A N H > S+ 0 0 100 2,-0.2 4,-3.5 1,-0.2 -1,-0.2 0.931 106.4 50.0 -60.3 -48.6 -56.9 64.3 23.0 28 35 A E H > S+ 0 0 61 2,-0.2 4,-2.7 -3,-0.2 -2,-0.2 0.902 112.2 47.4 -58.6 -42.7 -54.3 65.2 20.4 29 36 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.978 112.7 49.1 -62.9 -53.0 -55.2 62.2 18.3 30 37 A A H X>S+ 0 0 5 -4,-3.0 4,-0.9 1,-0.2 5,-0.8 0.921 112.1 48.6 -51.4 -49.3 -58.9 63.0 18.7 31 38 A Q H ><5S+ 0 0 76 -4,-3.5 3,-1.1 1,-0.2 -1,-0.2 0.941 111.9 48.9 -57.6 -47.2 -58.3 66.6 17.6 32 39 A A H 3<5S+ 0 0 58 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.830 111.1 50.4 -61.5 -33.2 -56.2 65.4 14.6 33 40 A A H 3<5S- 0 0 5 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.591 107.4-130.3 -79.7 -11.8 -59.0 63.0 13.7 34 41 A G T <<5S+ 0 0 68 -3,-1.1 -3,-0.2 -4,-0.9 -2,-0.1 0.351 72.2 113.8 77.7 -8.0 -61.5 65.9 14.0 35 42 A V S - 0 0 93 -3,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.519 31.8-108.5 -96.3 167.3 -64.5 63.9 19.8 37 44 A R H > S+ 0 0 114 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.947 120.1 48.0 -59.6 -49.8 -62.8 62.2 22.7 38 45 A D H > S+ 0 0 47 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.866 108.9 53.1 -60.5 -39.1 -65.8 59.9 23.3 39 46 A A H > S+ 0 0 44 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.879 111.4 46.1 -64.7 -39.3 -66.0 59.0 19.6 40 47 A L H >X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 3,-1.9 0.956 110.0 54.1 -66.2 -48.8 -62.4 58.0 19.5 41 48 A Y H 3< S+ 0 0 121 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.793 96.2 69.3 -53.7 -32.7 -62.8 56.0 22.7 42 49 A W H 3< S+ 0 0 202 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.766 115.5 22.8 -58.9 -29.8 -65.6 54.2 21.1 43 50 A H H << S+ 0 0 47 -3,-1.9 2,-0.3 -4,-0.5 -2,-0.2 0.663 136.4 24.1-110.0 -25.7 -63.2 52.4 18.7 44 51 A F < - 0 0 17 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.1 -0.889 53.2-170.7-147.1 112.0 -59.9 52.6 20.7 45 52 A K S S+ 0 0 111 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.1 0.905 74.2 8.7 -68.4 -40.3 -59.7 53.0 24.4 46 53 A N S > S- 0 0 65 1,-0.1 4,-1.2 -5,-0.1 3,-0.1 -0.719 76.2-101.1-132.8-178.3 -55.9 53.6 24.5 47 54 A K H > S+ 0 0 37 -2,-0.2 4,-3.2 1,-0.2 3,-0.4 0.910 117.4 61.1 -70.8 -44.5 -52.8 54.3 22.4 48 55 A E H > S+ 0 0 45 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.798 104.0 52.8 -54.1 -27.0 -51.7 50.7 22.7 49 56 A D H > S+ 0 0 55 2,-0.2 4,-2.0 3,-0.2 -1,-0.3 0.887 110.0 45.4 -75.4 -41.3 -54.9 49.8 20.9 50 57 A L H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.4 -2,-0.2 0.954 117.0 46.1 -65.3 -48.0 -54.3 52.2 18.1 51 58 A F H X S+ 0 0 1 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.926 111.4 50.3 -59.8 -48.4 -50.7 51.0 17.8 52 59 A D H X S+ 0 0 43 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.902 112.1 48.4 -57.9 -41.6 -51.6 47.3 18.0 53 60 A A H X S+ 0 0 23 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.861 108.6 54.5 -67.1 -34.0 -54.2 47.9 15.2 54 61 A L H X S+ 0 0 2 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.899 106.6 51.9 -65.5 -37.7 -51.5 49.7 13.3 55 62 A F H X S+ 0 0 10 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.928 109.3 49.9 -62.8 -45.2 -49.3 46.6 13.7 56 63 A Q H X S+ 0 0 84 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.884 105.3 55.5 -61.7 -41.7 -52.2 44.5 12.3 57 64 A R H X S+ 0 0 72 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.915 112.7 44.4 -58.1 -40.3 -52.7 46.7 9.3 58 65 A I H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 3,-0.3 0.946 113.5 48.0 -69.2 -48.4 -49.0 46.2 8.5 59 66 A C H X S+ 0 0 6 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.781 111.3 53.5 -63.0 -25.8 -49.1 42.4 9.1 60 67 A D H X S+ 0 0 67 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.816 106.8 50.6 -78.0 -32.1 -52.2 42.2 7.0 61 68 A D H < S+ 0 0 31 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.885 111.3 47.4 -72.8 -38.8 -50.6 44.0 4.0 62 69 A I H >< S+ 0 0 10 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.913 118.9 41.3 -67.7 -41.7 -47.5 41.7 4.1 63 70 A E H >< S+ 0 0 83 -4,-1.5 3,-2.7 1,-0.2 2,-1.0 0.918 108.5 57.2 -72.9 -45.1 -49.8 38.6 4.3 64 71 A N T 3< S+ 0 0 132 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.1 -0.082 102.3 58.2 -80.4 39.5 -52.4 39.8 1.8 65 72 A C T < 0 0 65 -2,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 -0.006 360.0 360.0-143.2 6.2 -49.5 40.1 -0.7 66 73 A I < 0 0 165 -3,-2.7 -1,-0.1 -5,-0.0 -2,-0.1 -0.238 360.0 360.0 47.8 360.0 -48.9 36.4 -0.0 67 ! 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 68 83 A G > 0 0 76 0, 0.0 4,-2.8 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 146.0 -41.4 27.4 -3.4 69 84 A S H > + 0 0 43 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.869 360.0 51.2 -54.8 -38.6 -41.8 28.6 0.2 70 85 A W H > S+ 0 0 25 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.846 110.9 47.8 -68.8 -35.1 -38.1 29.7 0.2 71 86 A T H > S+ 0 0 61 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.921 111.0 50.1 -71.5 -44.4 -38.6 31.7 -3.1 72 87 A V H X S+ 0 0 69 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.945 108.1 54.5 -56.5 -49.8 -41.8 33.4 -1.7 73 88 A F H X S+ 0 0 17 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.905 107.1 50.3 -51.4 -46.7 -39.9 34.3 1.4 74 89 A R H X S+ 0 0 103 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.953 112.6 47.1 -57.8 -48.9 -37.2 35.9 -0.7 75 90 A H H X S+ 0 0 94 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.842 107.2 57.2 -61.8 -34.7 -39.9 37.9 -2.5 76 91 A T H X S+ 0 0 36 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.920 108.9 46.1 -63.3 -43.4 -41.6 38.8 0.7 77 92 A L H X S+ 0 0 14 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.882 112.9 48.5 -67.9 -40.3 -38.4 40.5 2.0 78 93 A L H X S+ 0 0 47 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.922 113.4 48.5 -65.1 -43.0 -37.7 42.3 -1.3 79 94 A H H X S+ 0 0 87 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.913 105.9 59.1 -61.6 -44.4 -41.3 43.5 -1.3 80 95 A F H X S+ 0 0 28 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.910 109.8 40.4 -53.7 -49.2 -41.1 44.6 2.3 81 96 A F H X S+ 0 0 3 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.828 110.6 59.8 -72.4 -29.4 -38.2 47.0 1.7 82 97 A E H >X S+ 0 0 123 -4,-1.8 4,-1.2 1,-0.2 3,-1.1 0.949 110.0 41.0 -62.4 -48.1 -39.7 48.2 -1.6 83 98 A R H 3X S+ 0 0 21 -4,-2.5 4,-2.7 1,-0.3 8,-0.4 0.645 98.7 72.0 -78.6 -10.8 -42.9 49.5 0.2 84 99 A L H 3< S+ 0 0 1 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.732 110.7 37.6 -69.1 -19.0 -41.0 50.9 3.1 85 100 A Q H << S+ 0 0 93 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.738 128.3 30.6 -98.4 -33.9 -40.1 53.4 0.4 86 101 A S H < S+ 0 0 99 -4,-1.2 2,-0.7 1,-0.1 -3,-0.2 0.697 103.2 74.7-102.6 -23.3 -43.4 53.6 -1.5 87 102 A N X - 0 0 44 -4,-2.7 4,-2.9 1,-0.1 5,-0.2 -0.843 60.2-159.0 -99.8 115.3 -46.1 53.0 1.1 88 103 A D H > S+ 0 0 100 -2,-0.7 4,-2.1 1,-0.2 5,-0.3 0.853 92.1 52.8 -58.2 -40.3 -46.7 55.9 3.4 89 104 A I H > S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.936 114.6 41.9 -62.6 -46.3 -48.4 53.8 6.1 90 105 A H H > S+ 0 0 1 -7,-0.2 4,-2.0 2,-0.2 5,-0.3 0.898 111.3 55.5 -68.9 -40.7 -45.4 51.4 6.2 91 106 A Y H X S+ 0 0 45 -4,-2.9 4,-1.5 -8,-0.4 -2,-0.2 0.954 116.1 36.4 -55.5 -53.2 -42.8 54.1 6.0 92 107 A K H X S+ 0 0 23 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.849 112.7 56.4 -70.8 -41.2 -44.1 56.0 9.1 93 108 A F H X S+ 0 0 1 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.944 114.2 39.3 -58.3 -48.1 -45.1 53.0 11.1 94 109 A H H X S+ 0 0 12 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.849 113.4 55.7 -72.6 -30.3 -41.6 51.5 11.0 95 110 A N H X S+ 0 0 8 -4,-1.5 4,-2.6 -5,-0.3 5,-0.4 0.899 111.8 44.0 -65.3 -40.5 -40.1 54.9 11.4 96 111 A I H X S+ 0 0 1 -4,-2.6 4,-2.2 3,-0.2 -2,-0.2 0.926 112.0 53.3 -68.3 -46.7 -42.1 55.3 14.6 97 112 A L H < S+ 0 0 27 -4,-2.6 -2,-0.2 -5,-0.2 4,-0.2 0.916 121.0 30.6 -54.8 -47.4 -41.3 51.8 15.7 98 113 A F H < S+ 0 0 12 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.803 135.2 22.0 -85.0 -32.4 -37.5 52.3 15.4 99 114 A L H < S+ 0 0 9 -4,-2.6 199,-3.0 -5,-0.3 -3,-0.2 0.566 124.6 37.8-116.6 -9.4 -37.1 56.0 16.1 100 115 A K S < S+ 0 0 17 -4,-2.2 -79,-2.1 -5,-0.4 -78,-0.2 -0.145 91.4 81.0-137.8 43.9 -40.0 57.3 18.1 101 116 A C - 0 0 7 -4,-0.2 -1,-0.1 -81,-0.2 -81,-0.0 -0.475 64.1-163.2-146.8 65.1 -41.0 54.7 20.6 102 117 A E - 0 0 5 1,-0.1 2,-1.5 -3,-0.1 193,-0.2 -0.155 24.1-122.8 -53.4 143.5 -38.6 54.9 23.5 103 118 A H + 0 0 35 191,-2.6 2,-0.2 188,-0.1 -1,-0.1 -0.524 61.9 136.6 -89.9 67.6 -38.5 51.9 25.8 104 119 A T S > S- 0 0 14 -2,-1.5 3,-1.6 108,-0.1 7,-0.2 -0.626 72.0-103.9-108.7 170.4 -39.4 53.7 29.0 105 120 A E G > S+ 0 0 186 106,-0.4 3,-1.0 1,-0.3 4,-0.2 0.795 120.1 64.2 -61.2 -28.3 -41.7 52.9 31.9 106 121 A Q G 3 S+ 0 0 115 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.663 108.1 39.0 -71.7 -16.9 -44.1 55.4 30.4 107 122 A N G <> S+ 0 0 2 -3,-1.6 4,-2.8 1,-0.1 3,-0.5 0.188 76.6 120.3-116.1 14.4 -44.5 53.3 27.2 108 123 A A H <> S+ 0 0 57 -3,-1.0 4,-2.2 1,-0.2 5,-0.1 0.858 76.1 51.2 -45.7 -44.6 -44.5 49.9 28.9 109 124 A A H > S+ 0 0 46 -4,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.898 112.5 44.4 -62.9 -43.9 -48.0 49.2 27.5 110 125 A V H > S+ 0 0 3 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.875 113.0 51.2 -69.5 -37.6 -47.0 50.1 23.9 111 126 A I H X S+ 0 0 14 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.880 104.0 59.2 -66.4 -37.2 -43.8 48.1 24.2 112 127 A A H X S+ 0 0 54 -4,-2.2 4,-1.3 -5,-0.3 -1,-0.2 0.910 107.6 46.4 -56.9 -42.7 -45.7 45.1 25.4 113 128 A I H >X S+ 0 0 18 -4,-1.4 4,-1.7 2,-0.2 3,-0.8 0.959 110.1 51.5 -64.4 -51.9 -47.7 45.3 22.1 114 129 A A H 3X S+ 0 0 7 -4,-2.3 4,-1.4 1,-0.3 -1,-0.2 0.844 109.1 54.5 -53.4 -34.5 -44.5 45.6 20.0 115 130 A R H 3X S+ 0 0 99 -4,-2.4 4,-1.7 2,-0.2 -1,-0.3 0.802 103.0 52.6 -71.6 -32.7 -43.2 42.6 21.9 116 131 A K H S+ 0 0 1 -4,-1.9 5,-3.0 -5,-0.3 6,-1.1 0.923 106.5 43.0 -51.4 -52.3 -37.0 25.1 4.1 133 148 A V H ><5S+ 0 0 21 -4,-2.0 3,-1.1 4,-0.2 -1,-0.2 0.919 116.9 48.0 -62.0 -43.3 -35.0 22.3 5.9 134 149 A E H 3<5S+ 0 0 120 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.843 113.7 46.3 -66.0 -34.1 -37.7 19.8 5.1 135 150 A N T 3<5S- 0 0 89 -4,-3.3 -1,-0.3 -5,-0.1 -2,-0.2 0.338 116.8-117.3 -90.3 7.4 -37.8 20.9 1.4 136 151 A Q T < 5S+ 0 0 173 -3,-1.1 -3,-0.2 -5,-0.2 -4,-0.1 0.699 82.7 122.7 66.3 22.3 -34.0 20.8 1.4 137 152 A D S - 0 0 27 -2,-0.3 3,-1.4 48,-0.3 -6,-0.1 -0.346 18.0-131.8 -75.7 152.4 -29.5 21.9 5.8 140 155 A D T 3 S+ 0 0 137 1,-0.3 -1,-0.1 -7,-0.1 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-2,-0.1 0.855 111.4 49.1 -56.7 -37.5 -36.0 63.9 25.8 216 30 B R T 3 S+ 0 0 127 -4,-0.4 2,-0.4 -7,-0.1 -1,-0.3 0.235 93.5 89.4 -90.6 13.9 -37.7 63.7 29.2 217 31 B T < - 0 0 2 -3,-1.7 2,-0.3 -4,-0.1 23,-0.1 -0.925 60.5-157.4-112.6 137.9 -34.7 64.5 31.4 218 32 B S > - 0 0 40 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.774 31.1-114.5-112.3 157.9 -33.9 68.1 32.3 219 33 B L H > S+ 0 0 31 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.881 115.9 62.2 -54.6 -37.9 -30.6 69.7 33.4 220 34 B N H > S+ 0 0 79 1,-0.2 4,-3.1 2,-0.2 3,-0.3 0.971 104.1 42.9 -50.2 -66.0 -32.3 70.2 36.7 221 35 B E H > S+ 0 0 53 1,-0.3 4,-3.3 2,-0.2 -1,-0.2 0.836 114.7 53.1 -52.8 -34.2 -32.8 66.6 37.5 222 36 B I H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -1,-0.3 0.913 109.7 46.9 -67.5 -43.2 -29.3 65.9 36.3 223 37 B A H X>S+ 0 0 5 -4,-3.1 5,-2.0 -3,-0.3 4,-0.6 0.930 115.6 47.3 -62.3 -46.0 -28.0 68.6 38.6 224 38 B Q H ><5S+ 0 0 143 -4,-3.1 3,-2.1 1,-0.2 -2,-0.2 0.960 110.0 50.1 -57.9 -58.3 -30.0 67.1 41.4 225 39 B A H 3<5S+ 0 0 62 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.793 113.6 48.5 -51.8 -31.0 -29.0 63.5 40.7 226 40 B A H 3<5S- 0 0 4 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.531 108.5-126.9 -88.5 -8.5 -25.4 64.8 40.7 227 41 B G T <<5S+ 0 0 69 -3,-2.1 2,-0.2 -4,-0.6 -3,-0.2 0.690 71.7 110.4 71.3 18.5 -25.9 66.7 44.0 228 42 B V < - 0 0 44 -5,-2.0 -1,-0.3 -6,-0.2 2,-0.1 -0.638 69.9 -94.6-116.6 177.0 -24.6 69.9 42.5 229 43 B T > - 0 0 92 -2,-0.2 4,-2.3 -3,-0.1 5,-0.2 -0.482 30.4-112.8 -91.1 163.7 -26.1 73.2 41.6 230 44 B R H > S+ 0 0 114 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.888 119.1 47.6 -59.6 -41.7 -27.5 74.4 38.2 231 45 B D H > S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.860 109.6 53.2 -69.1 -35.3 -24.7 77.0 37.9 232 46 B A H > S+ 0 0 40 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.914 114.2 43.0 -64.3 -41.5 -22.1 74.4 38.9 233 47 B L H >X S+ 0 0 2 -4,-2.3 4,-3.4 1,-0.2 3,-1.3 0.958 110.5 54.1 -67.5 -52.0 -23.4 72.1 36.2 234 48 B Y H 3< S+ 0 0 151 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.817 100.5 62.6 -52.8 -35.6 -23.8 74.9 33.6 235 49 B W H 3< S+ 0 0 209 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.869 116.3 29.3 -60.1 -37.9 -20.1 75.8 34.1 236 50 B H H << S+ 0 0 59 -3,-1.3 2,-0.4 -4,-0.8 -2,-0.2 0.829 134.5 24.7 -91.6 -36.3 -19.0 72.3 32.9 237 51 B F < - 0 0 14 -4,-3.4 -1,-0.3 -5,-0.1 3,-0.0 -0.987 54.5-169.1-134.4 124.2 -21.9 71.6 30.5 238 52 B K S S+ 0 0 126 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.1 0.563 75.2 22.8 -86.1 -8.6 -24.0 74.2 28.8 239 53 B N > - 0 0 55 1,-0.1 4,-1.2 -5,-0.0 5,-0.1 -0.979 69.9-118.2-153.8 166.3 -26.5 71.6 27.6 240 54 B K H > S+ 0 0 33 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.846 119.5 58.0 -70.5 -33.5 -28.0 68.2 27.9 241 55 B E H > S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.817 101.0 52.8 -66.4 -33.9 -26.5 67.7 24.5 242 56 B D H > S+ 0 0 52 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.845 107.8 52.0 -71.0 -32.8 -23.0 68.4 25.7 243 57 B L H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.936 112.6 44.3 -66.0 -47.2 -23.4 65.8 28.4 244 58 B F H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.890 112.6 53.2 -63.3 -39.8 -24.5 63.3 25.9 245 59 B D H X S+ 0 0 29 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.913 108.6 49.8 -61.0 -43.8 -21.7 64.4 23.6 246 60 B A H X S+ 0 0 25 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.882 110.3 50.0 -62.5 -41.4 -19.2 63.9 26.4 247 61 B L H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.937 108.7 51.8 -63.2 -48.0 -20.6 60.4 27.1 248 62 B F H X S+ 0 0 4 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.919 112.4 47.2 -53.1 -45.9 -20.3 59.5 23.4 249 63 B Q H X S+ 0 0 80 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.861 108.8 53.2 -65.4 -39.1 -16.7 60.7 23.5 250 64 B R H X S+ 0 0 57 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.909 107.4 53.3 -63.1 -41.0 -16.0 58.7 26.7 251 65 B I H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.922 111.0 45.3 -60.3 -46.0 -17.3 55.6 24.9 252 66 B C H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.928 108.4 56.6 -64.4 -45.2 -14.9 56.1 22.0 253 67 B D H X S+ 0 0 69 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.924 107.0 50.0 -51.9 -47.0 -11.9 56.8 24.2 254 68 B D H X S+ 0 0 35 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.925 108.8 51.8 -58.3 -46.9 -12.5 53.5 26.0 255 69 B I H X S+ 0 0 17 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.886 114.6 42.2 -58.8 -41.0 -12.6 51.6 22.6 256 70 B E H X S+ 0 0 75 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.908 107.3 58.4 -73.8 -44.1 -9.3 53.2 21.4 257 71 B N H < S+ 0 0 118 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.837 111.8 45.6 -55.2 -29.0 -7.5 52.8 24.7 258 72 B C H < S+ 0 0 64 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.867 110.0 49.7 -82.1 -39.5 -8.2 49.1 24.3 259 73 B I H < 0 0 77 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.856 360.0 360.0 -66.9 -30.9 -7.3 48.7 20.7 260 74 B A < 0 0 115 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.1 0.914 360.0 360.0 -73.1 360.0 -4.0 50.5 21.6 261 ! 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 0.0 262 82 B G 0 0 105 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 122.7 -1.1 39.9 13.2 263 83 B G >> - 0 0 30 2,-0.1 4,-1.4 1,-0.1 3,-0.9 0.225 360.0-104.6 105.4 131.8 -2.6 42.4 10.6 264 84 B S H 3> S+ 0 0 27 1,-0.3 4,-1.4 2,-0.2 63,-0.1 0.759 120.6 61.6 -57.8 -25.2 -4.9 45.3 11.2 265 85 B W H 3> S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.902 103.6 48.4 -68.0 -39.8 -7.7 43.1 9.8 266 86 B T H <> S+ 0 0 18 -3,-0.9 4,-1.3 1,-0.2 -2,-0.2 0.805 109.3 52.3 -70.6 -29.7 -7.2 40.6 12.6 267 87 B V H X S+ 0 0 56 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.802 101.6 60.5 -75.4 -28.1 -7.2 43.4 15.2 268 88 B F H X S+ 0 0 19 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.904 102.1 55.6 -62.9 -38.2 -10.5 44.7 13.8 269 89 B R H X S+ 0 0 14 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.934 110.0 42.3 -57.8 -52.3 -11.9 41.3 14.7 270 90 B H H X S+ 0 0 105 -4,-1.3 4,-3.4 2,-0.2 5,-0.2 0.887 110.1 57.0 -64.7 -41.5 -10.9 41.5 18.4 271 91 B T H X S+ 0 0 36 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.925 110.1 46.3 -55.6 -44.1 -12.0 45.1 18.6 272 92 B L H X S+ 0 0 14 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.895 115.0 44.3 -66.0 -43.6 -15.5 44.0 17.5 273 93 B L H X S+ 0 0 30 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.902 112.4 53.7 -67.0 -40.4 -15.7 41.0 19.8 274 94 B H H X S+ 0 0 75 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.793 105.0 56.5 -63.3 -30.4 -14.3 43.2 22.6 275 95 B F H X S+ 0 0 34 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.943 109.8 41.6 -69.0 -49.4 -17.1 45.7 21.9 276 96 B F H < S+ 0 0 7 -4,-1.6 4,-0.3 2,-0.2 -2,-0.2 0.761 111.8 59.2 -70.6 -24.0 -20.0 43.2 22.4 277 97 B E H >X S+ 0 0 117 -4,-1.6 3,-1.5 1,-0.2 4,-0.8 0.987 113.1 34.4 -67.2 -57.8 -18.2 41.7 25.4 278 98 B R H 3X S+ 0 0 18 -4,-2.1 4,-2.9 1,-0.3 8,-0.3 0.746 103.2 74.1 -71.0 -20.5 -18.1 45.0 27.4 279 99 B L H 3< S+ 0 0 0 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.747 113.4 29.9 -61.2 -16.7 -21.5 46.0 25.9 280 100 B Q H <4 S+ 0 0 102 -3,-1.5 -2,-0.3 -4,-0.3 -1,-0.2 0.565 127.9 38.3-118.5 -12.0 -22.5 43.3 28.4 281 101 B S H < S+ 0 0 99 -4,-0.8 2,-0.5 1,-0.1 -3,-0.2 0.638 103.6 72.3-111.3 -22.1 -19.9 43.5 31.2 282 102 B N X - 0 0 55 -4,-2.9 4,-2.3 -5,-0.2 5,-0.1 -0.856 64.1-156.0-102.0 126.8 -19.4 47.3 31.3 283 103 B D H > S+ 0 0 101 -2,-0.5 4,-2.6 2,-0.2 5,-0.3 0.881 92.6 49.7 -65.4 -44.7 -22.2 49.4 32.9 284 104 B I H > S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 115.0 45.9 -65.5 -37.5 -21.4 52.7 31.2 285 105 B H H > S+ 0 0 1 -7,-0.2 4,-1.7 2,-0.2 5,-0.3 0.896 112.7 50.2 -72.2 -38.7 -21.3 50.9 27.8 286 106 B Y H X S+ 0 0 37 -4,-2.3 4,-1.8 -8,-0.3 -2,-0.2 0.976 116.0 41.2 -61.1 -55.6 -24.4 49.0 28.4 287 107 B K H X S+ 0 0 26 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.883 112.2 54.2 -60.9 -44.0 -26.5 52.0 29.5 288 108 B F H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.931 113.2 40.6 -59.2 -49.4 -25.1 54.4 26.8 289 109 B H H X S+ 0 0 8 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.842 113.1 54.9 -70.2 -31.9 -26.0 52.2 23.9 290 110 B N H X>S+ 0 0 7 -4,-1.8 4,-3.1 -5,-0.3 5,-0.7 0.934 111.4 46.0 -63.9 -43.3 -29.3 51.2 25.4 291 111 B I H X5S+ 0 0 1 -4,-2.5 4,-1.2 3,-0.2 -77,-0.2 0.889 112.6 50.8 -64.3 -42.9 -30.1 54.9 25.6 292 112 B L H <5S+ 0 0 29 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.910 122.5 28.9 -63.3 -46.4 -28.9 55.5 22.1 293 113 B F H <5S+ 0 0 12 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.862 136.1 22.4 -85.3 -38.9 -31.0 52.7 20.5 294 114 B L H <5S+ 0 0 8 -4,-3.1 -191,-2.6 -5,-0.3 -3,-0.2 0.663 125.0 40.2-106.2 -17.2 -34.0 52.5 22.8 295 115 B K S < - 0 0 9 -2,-1.1 3,-2.5 -280,-0.1 4,-0.3 -0.671 69.3-112.0-101.8 158.4 -38.5 64.1 17.5 300 120 B E G > S+ 0 0 95 -282,-0.5 3,-0.9 1,-0.3 4,-0.3 0.770 118.6 66.8 -59.4 -23.7 -38.0 67.8 16.8 301 121 B Q G 3 S+ 0 0 106 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.624 108.7 37.0 -71.3 -13.1 -37.8 68.1 20.6 302 122 B N G <> S+ 0 0 3 -3,-2.5 4,-2.4 1,-0.1 3,-0.4 0.237 78.1 119.2-121.3 9.1 -34.6 66.1 20.4 303 123 B A H <> S+ 0 0 56 -3,-0.9 4,-1.9 -4,-0.3 5,-0.2 0.824 75.2 53.7 -45.5 -42.2 -33.1 67.5 17.2 304 124 B A H > S+ 0 0 49 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.934 110.9 44.6 -61.4 -49.1 -30.0 68.8 19.0 305 125 B V H > S+ 0 0 0 -3,-0.4 4,-2.4 1,-0.2 5,-0.2 0.891 113.1 52.2 -61.3 -41.5 -29.2 65.5 20.6 306 126 B I H X S+ 0 0 18 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.824 106.0 53.9 -66.7 -30.7 -29.8 63.7 17.3 307 127 B A H X S+ 0 0 57 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.888 109.5 49.0 -70.2 -38.0 -27.4 66.1 15.5 308 128 B I H >X S+ 0 0 21 -4,-1.7 4,-1.4 1,-0.2 3,-0.6 0.935 110.7 48.0 -64.6 -48.8 -24.8 65.2 18.0 309 129 B A H 3X S+ 0 0 7 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.782 108.1 60.2 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57.8-125.1 -70.0 130.8 -14.1 45.8 -2.6 338 158 B D > - 0 0 29 49,-2.5 4,-1.8 -2,-0.3 5,-0.1 -0.678 30.1-174.5 -77.3 98.6 -16.9 48.3 -2.8 339 159 B K H > S+ 0 0 51 -2,-1.3 4,-2.4 2,-0.2 5,-0.2 0.871 77.5 56.3 -64.8 -39.2 -15.9 50.4 0.3 340 160 B E H > S+ 0 0 71 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.926 115.1 38.0 -58.7 -47.0 -19.1 52.6 0.3 341 161 B T H > S+ 0 0 26 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.774 111.5 60.3 -75.8 -28.4 -21.3 49.5 0.5 342 162 B A H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.940 105.1 47.8 -63.9 -48.1 -19.0 47.7 2.8 343 163 B V H X S+ 0 0 7 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.906 113.6 47.2 -58.6 -45.4 -19.3 50.4 5.5 344 164 B I H X S+ 0 0 42 -4,-1.4 4,-2.8 -5,-0.2 -1,-0.2 0.924 113.5 49.4 -62.3 -43.2 -23.1 50.4 5.2 345 165 B F H X S+ 0 0 8 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.883 111.8 48.5 -63.7 -40.4 -23.0 46.6 5.4 346 166 B I H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 5,-0.3 0.947 114.8 43.1 -67.5 -48.6 -20.8 46.7 8.5 347 167 B K H X S+ 0 0 20 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.927 113.6 53.0 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37.3 -65.2 -55.0 -30.4 42.4 21.7 358 178 B F H ><5S+ 0 0 2 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.897 116.5 52.7 -63.4 -44.3 -31.7 45.5 23.5 359 179 B S H 3<5S+ 0 0 5 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.766 107.5 50.8 -66.3 -27.3 -35.1 45.5 21.9 360 180 B S T 3<5S- 0 0 17 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.362 120.9-105.6 -91.9 4.4 -35.8 41.9 22.8 361 181 B G T < 5 - 0 0 34 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.782 69.0 -64.2 77.2 27.2 -34.9 42.5 26.4 362 182 B E S - 0 0 84 -2,-0.3 4,-1.9 1,-0.2 3,-0.5 -0.487 32.4-175.7 -65.3 105.6 -26.9 35.0 24.7 366 186 B L H > S+ 0 0 2 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.846 78.9 65.1 -71.3 -34.5 -24.8 37.9 23.3 367 187 B G H 4 S+ 0 0 50 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.770 115.0 29.3 -59.9 -28.7 -21.5 36.2 24.3 368 188 B K H > S+ 0 0 144 -3,-0.5 4,-0.9 2,-0.1 -1,-0.2 0.731 120.4 52.3-101.6 -30.2 -22.1 33.4 21.9 369 189 B T H X S+ 0 0 12 -4,-1.9 4,-2.3 2,-0.2 3,-0.2 0.933 101.5 56.6 -73.9 -49.0 -24.2 35.2 19.2 370 190 B A H X S+ 0 0 2 -4,-2.1 4,-3.3 1,-0.2 5,-0.3 0.918 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-0.533 65.0 132.9 -79.0 78.9 11.4 27.1 23.1 504 119 C T S > S- 0 0 10 -2,-2.0 3,-0.9 111,-0.1 4,-0.3 -0.803 74.4-102.0-123.1 165.7 11.3 30.8 22.4 505 120 C E G > S+ 0 0 160 -2,-0.3 3,-1.7 1,-0.3 4,-0.3 0.873 118.9 67.8 -55.6 -36.2 9.1 33.6 23.8 506 121 C Q G 3 S+ 0 0 100 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.901 107.7 36.8 -46.8 -48.9 7.2 33.4 20.4 507 122 C N G <> S+ 0 0 5 -3,-0.9 4,-3.4 -5,-0.3 5,-0.4 0.242 76.0 119.0 -93.0 10.8 5.9 29.9 21.3 508 123 C A H <> S+ 0 0 44 -3,-1.7 4,-2.4 -4,-0.3 5,-0.2 0.889 79.7 49.0 -42.3 -50.5 5.3 30.3 25.1 509 124 C A H > S+ 0 0 43 -3,-0.3 4,-1.5 -4,-0.3 -1,-0.2 0.925 115.2 41.8 -57.5 -51.5 1.6 29.6 24.6 510 125 C V H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.930 114.5 52.4 -61.8 -46.5 2.2 26.4 22.4 511 126 C I H X S+ 0 0 9 -4,-3.4 4,-2.2 1,-0.3 -2,-0.2 0.849 106.0 53.7 -60.2 -34.4 5.0 25.3 24.7 512 127 C A H X S+ 0 0 61 -4,-2.4 4,-1.2 -5,-0.4 -1,-0.3 0.875 107.4 52.6 -67.8 -34.1 2.7 25.7 27.7 513 128 C I H X S+ 0 0 34 -4,-1.5 4,-1.5 -3,-0.2 3,-0.3 0.900 106.2 53.0 -66.4 -40.8 0.3 23.4 25.9 514 129 C A H X S+ 0 0 19 -4,-2.1 4,-1.8 1,-0.2 3,-0.3 0.955 106.7 52.1 -58.4 -51.0 3.0 20.8 25.4 515 130 C R H X S+ 0 0 108 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.774 101.6 61.6 -57.8 -29.1 3.8 20.8 29.1 516 131 C K H X S+ 0 0 93 -4,-1.2 4,-1.7 -3,-0.3 3,-0.3 0.974 111.4 37.7 -61.2 -52.7 0.1 20.2 29.9 517 132 C H H X S+ 0 0 1 -4,-1.5 4,-2.2 -3,-0.3 -2,-0.2 0.727 111.7 59.5 -70.3 -22.7 0.2 16.9 28.0 518 133 C Q H X S+ 0 0 53 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.842 106.9 48.4 -72.7 -31.6 3.7 16.2 29.3 519 134 C A H X S+ 0 0 42 -4,-1.9 4,-1.9 -3,-0.3 -2,-0.2 0.878 110.4 50.6 -74.0 -39.3 2.2 16.4 32.8 520 135 C I H X S+ 0 0 57 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.937 110.9 47.5 -65.2 -46.7 -0.6 14.0 31.8 521 136 C W H X S+ 0 0 61 -4,-2.2 4,-2.1 1,-0.2 3,-0.2 0.895 109.0 55.7 -62.4 -38.3 1.7 11.4 30.3 522 137 C R H X S+ 0 0 94 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.926 107.4 48.9 -58.8 -44.2 3.9 11.6 33.4 523 138 C E H X S+ 0 0 140 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.747 106.9 55.3 -69.4 -23.4 0.9 10.8 35.6 524 139 C K H X S+ 0 0 78 -4,-1.4 4,-2.2 -3,-0.2 -1,-0.2 0.905 108.8 48.9 -72.8 -39.8 -0.0 7.9 33.4 525 140 C I H X S+ 0 0 18 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.936 109.1 51.4 -62.8 -47.6 3.5 6.5 33.9 526 141 C T H X S+ 0 0 47 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.883 109.9 51.0 -57.8 -37.8 3.3 7.0 37.7 527 142 C A H X S+ 0 0 55 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.906 108.8 50.4 -67.3 -41.0 -0.0 5.1 37.7 528 143 C V H X S+ 0 0 27 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.905 113.3 45.7 -63.5 -41.2 1.5 2.2 35.8 529 144 C L H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.950 112.0 51.7 -65.3 -48.3 4.4 2.0 38.2 530 145 C T H X S+ 0 0 46 -4,-2.7 4,-1.4 1,-0.3 -2,-0.2 0.852 114.0 43.6 -56.3 -38.2 2.0 2.3 41.2 531 146 C E H X S+ 0 0 105 -4,-2.3 4,-2.1 2,-0.2 -1,-0.3 0.790 112.5 55.0 -77.9 -27.5 -0.1 -0.5 39.8 532 147 C A H <>S+ 0 0 0 -4,-1.7 5,-3.1 -5,-0.2 6,-1.3 0.857 107.1 46.9 -74.1 -38.5 3.1 -2.5 38.9 533 148 C V H ><5S+ 0 0 16 -4,-2.7 3,-1.6 4,-0.2 7,-0.2 0.940 113.4 50.5 -69.1 -44.0 4.6 -2.5 42.4 534 149 C E H 3<5S+ 0 0 147 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.935 109.2 48.3 -57.1 -50.3 1.2 -3.5 43.9 535 150 C N T 3<5S- 0 0 101 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.337 119.9-117.5 -73.9 11.1 0.8 -6.4 41.5 536 151 C Q T < 5S+ 0 0 174 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.716 82.6 123.8 59.5 27.1 4.3 -7.2 42.5 537 152 C D S - 0 0 26 -2,-0.3 3,-3.4 47,-0.3 -6,-0.1 -0.400 22.0-137.0 -65.8 131.9 9.7 -3.8 43.9 540 155 C D T 3 S+ 0 0 153 1,-0.3 -1,-0.2 -7,-0.2 -7,-0.1 0.580 109.9 66.8 -63.0 -5.8 7.6 -1.9 46.5 541 156 C D T 3 S+ 0 0 91 2,-0.1 -1,-0.3 -8,-0.1 -2,-0.1 0.500 76.0 125.1 -90.4 -9.6 11.1 -0.6 47.2 542 157 C L < - 0 0 12 -3,-3.4 2,-1.2 1,-0.1 51,-0.3 -0.253 65.7-128.8 -56.6 133.0 11.1 1.1 43.7 543 158 C D > - 0 0 59 49,-2.7 4,-2.0 1,-0.2 3,-0.2 -0.723 24.9-172.6 -86.9 94.6 11.8 4.8 43.7 544 159 C K H > S+ 0 0 59 -2,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.713 76.2 62.8 -62.5 -24.7 8.9 6.0 41.6 545 160 C E H > S+ 0 0 67 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.968 114.0 30.8 -66.4 -53.2 10.2 9.6 41.4 546 161 C T H > S+ 0 0 16 -3,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.759 112.6 64.8 -78.1 -24.4 13.4 8.7 39.5 547 162 C A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.889 103.5 48.8 -64.2 -37.2 11.8 5.8 37.7 548 163 C V H X S+ 0 0 1 -4,-1.4 4,-2.4 2,-0.2 5,-0.2 0.896 112.9 45.8 -68.8 -41.3 9.5 8.3 36.0 549 164 C I H X S+ 0 0 22 -4,-1.2 4,-3.2 2,-0.2 5,-0.3 0.961 113.9 51.0 -64.9 -46.2 12.4 10.5 35.0 550 165 C F H X S+ 0 0 12 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.931 111.8 46.2 -53.1 -54.1 14.3 7.4 33.9 551 166 C I H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.939 116.3 43.7 -56.9 -52.6 11.4 6.1 31.8 552 167 C K H X S+ 0 0 18 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.919 113.3 51.8 -60.3 -46.6 10.7 9.5 30.1 553 168 C S H X S+ 0 0 2 -4,-3.2 4,-2.2 -5,-0.2 -1,-0.2 0.908 110.6 49.4 -57.5 -42.9 14.4 10.1 29.6 554 169 C T H X S+ 0 0 25 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.904 114.4 42.5 -64.9 -43.9 14.8 6.7 27.9 555 170 C L H X S+ 0 0 26 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.944 114.3 50.4 -70.5 -47.2 11.8 7.2 25.5 556 171 C D H X S+ 0 0 22 -4,-3.0 4,-3.5 1,-0.2 5,-0.3 0.899 107.7 57.5 -54.5 -41.6 12.7 10.8 24.7 557 172 C G H X S+ 0 0 0 -4,-2.2 4,-3.1 -5,-0.3 5,-0.2 0.949 108.3 43.1 -54.4 -54.6 16.2 9.5 24.0 558 173 C L H X S+ 0 0 1 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.944 117.4 46.3 -57.3 -52.6 15.1 7.0 21.4 559 174 C I H X S+ 0 0 8 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.941 115.6 44.9 -58.1 -50.7 12.7 9.5 19.7 560 175 C W H X S+ 0 0 11 -4,-3.5 4,-2.0 -5,-0.2 5,-0.3 0.945 114.6 48.9 -58.8 -49.5 15.2 12.3 19.7 561 176 C R H X S+ 0 0 7 -4,-3.1 4,-1.6 -5,-0.3 -2,-0.2 0.922 111.8 49.1 -57.1 -47.5 18.0 10.1 18.4 562 177 C W H <>S+ 0 0 15 -4,-2.8 5,-2.6 -5,-0.2 6,-0.5 0.982 116.4 39.5 -57.0 -64.0 15.9 8.6 15.6 563 178 C F H ><5S+ 0 0 1 -4,-2.1 3,-3.6 1,-0.2 4,-0.3 0.964 116.0 47.8 -50.9 -65.6 14.6 11.9 14.2 564 179 C S H 3<5S+ 0 0 2 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.770 109.0 56.0 -51.9 -28.2 17.7 14.1 14.5 565 180 C S T 3<5S- 0 0 13 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.468 120.4-111.6 -81.8 -1.8 19.7 11.3 12.9 566 181 C G T < 5 - 0 0 34 -3,-3.6 -3,-0.2 -4,-0.2 -2,-0.2 0.888 65.9 -63.0 72.7 39.4 17.3 11.4 10.0 567 182 C E S > - 0 0 69 -2,-0.3 4,-2.2 1,-0.2 3,-1.1 -0.615 29.9-170.9 -74.2 102.7 15.9 0.7 12.0 571 186 C L H 3> S+ 0 0 1 -2,-1.0 4,-2.2 1,-0.3 -1,-0.2 0.737 82.5 68.9 -65.0 -22.5 13.6 1.8 14.9 572 187 C G H 34 S+ 0 0 30 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.793 110.5 29.7 -67.7 -29.0 11.9 -1.5 14.4 573 188 C K H <> S+ 0 0 132 -3,-1.1 4,-0.7 2,-0.1 -2,-0.2 0.757 122.8 50.4 -97.9 -33.5 14.9 -3.5 15.7 574 189 C T H X S+ 0 0 11 -4,-2.2 4,-2.4 2,-0.1 3,-0.3 0.903 102.9 56.5 -73.0 -45.8 16.2 -0.8 18.1 575 190 C A H X S+ 0 0 2 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.954 100.4 56.0 -53.3 -60.6 13.0 0.0 20.0 576 191 C P H > S+ 0 0 61 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.830 116.2 38.0 -43.6 -39.9 12.2 -3.5 21.2 577 192 C R H X S+ 0 0 83 -4,-0.7 4,-3.2 -3,-0.3 5,-0.2 0.861 110.9 54.7 -86.1 -34.2 15.5 -3.8 22.9 578 193 C I H X S+ 0 0 6 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.903 116.3 44.1 -61.0 -36.7 16.0 -0.3 24.1 579 194 C I H X S+ 0 0 3 -4,-3.0 4,-2.7 -5,-0.2 -2,-0.2 0.873 110.8 53.0 -72.3 -40.2 12.6 -1.0 25.8 580 195 C G H X S+ 0 0 26 -4,-1.7 4,-2.0 -5,-0.3 -2,-0.2 0.933 111.6 46.0 -61.1 -46.0 13.7 -4.4 26.9 581 196 C I H X S+ 0 0 1 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.932 112.6 50.3 -62.2 -45.6 16.7 -3.0 28.6 582 197 C M H X S+ 0 0 2 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.896 111.2 49.0 -59.2 -43.1 14.7 -0.2 30.2 583 198 C M H X S+ 0 0 9 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.840 109.7 51.5 -68.6 -33.6 12.2 -2.7 31.6 584 199 C D H X>S+ 0 0 62 -4,-2.0 4,-3.2 -5,-0.2 5,-0.6 0.925 109.8 49.9 -68.4 -43.0 14.9 -4.9 33.0 585 200 C N H X5S+ 0 0 10 -4,-2.4 4,-0.9 2,-0.2 7,-0.2 0.916 109.3 50.4 -60.8 -44.8 16.5 -1.9 34.8 586 201 C L H <5S+ 0 0 1 -4,-2.1 -47,-0.3 1,-0.2 -1,-0.2 0.902 117.6 43.1 -60.0 -38.5 13.2 -0.9 36.3 587 202 C E H <5S+ 0 0 60 -4,-1.7 -48,-0.3 -5,-0.2 -2,-0.2 0.869 133.5 6.4 -76.4 -40.2 12.7 -4.4 37.5 588 203 C N H <5S+ 0 0 104 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.1 0.750 88.0 109.3-119.9 -29.9 16.2 -5.4 38.8 589 204 C H ><< - 0 0 17 -4,-0.9 3,-1.5 -5,-0.6 4,-0.1 -0.315 55.5-146.4 -59.4 124.2 18.7 -2.6 38.9 590 205 C P G > S+ 0 0 92 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.803 91.7 68.2 -58.5 -33.5 19.4 -1.5 42.5 591 206 C C G 3 S+ 0 0 63 1,-0.3 -2,-0.1 2,-0.2 185,-0.1 0.545 91.5 60.3 -69.4 -6.2 19.9 2.2 41.5 592 207 C L G < 0 0 1 -3,-1.5 -49,-2.7 -7,-0.2 -1,-0.3 0.396 360.0 360.0 -97.7 2.5 16.3 2.6 40.7 593 208 C R < 0 0 104 -3,-1.8 -2,-0.2 -51,-0.3 -1,-0.1 0.741 360.0 360.0-106.4 360.0 15.3 1.7 44.3 594 !* 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 0.0 595 6 D T 0 0 156 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 103.3 50.4 38.9 18.0 596 7 D E - 0 0 93 2,-0.0 3,-0.0 0, 0.0 0, 0.0 0.812 360.0-144.2 -85.7 -31.3 47.7 38.0 15.5 597 8 D A + 0 0 82 1,-0.1 3,-0.1 2,-0.0 0, 0.0 0.986 51.8 139.1 62.8 59.5 45.0 39.9 17.4 598 9 D L + 0 0 54 1,-0.1 4,-0.4 2,-0.1 -1,-0.1 -0.285 33.1 102.2-126.6 42.0 42.3 37.3 16.6 599 10 D K > + 0 0 76 2,-0.2 4,-1.0 1,-0.1 -1,-0.1 0.325 66.3 76.7-102.4 -0.8 40.7 37.3 20.0 600 11 D T H > S+ 0 0 65 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.728 89.1 61.0 -76.8 -25.5 38.0 39.5 18.5 601 12 D K H >> S+ 0 0 80 2,-0.3 4,-2.8 1,-0.2 3,-0.6 0.955 101.0 47.3 -65.7 -54.4 36.9 36.2 17.0 602 13 D E H 3> S+ 0 0 83 -4,-0.4 4,-1.8 1,-0.3 -1,-0.2 0.849 113.3 53.5 -56.9 -30.7 36.3 34.6 20.4 603 14 D H H 3X S+ 0 0 95 -4,-1.0 4,-1.1 2,-0.2 -1,-0.3 0.808 107.0 48.0 -74.2 -31.8 34.4 37.9 21.1 604 15 D L H - 0 0 41 -2,-0.3 4,-1.6 1,-0.1 5,-0.2 -0.763 28.4-122.5-106.8 153.7 20.4 37.9 11.9 622 33 D L H > S+ 0 0 48 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.867 114.6 60.1 -63.7 -32.8 24.1 38.6 11.3 623 34 D N H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.941 102.2 53.7 -57.7 -47.2 23.2 42.3 11.8 624 35 D E H > S+ 0 0 56 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.903 111.5 42.0 -56.7 -46.3 22.0 41.5 15.3 625 36 D I H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.871 111.2 53.8 -73.7 -34.1 25.2 39.7 16.5 626 37 D A H X>S+ 0 0 2 -4,-2.4 5,-2.4 2,-0.2 4,-0.9 0.954 113.0 47.7 -60.3 -45.6 27.6 42.2 14.9 627 38 D Q H ><5S+ 0 0 141 -4,-2.5 3,-2.0 -5,-0.3 -2,-0.2 0.975 111.5 47.7 -54.0 -61.6 25.6 44.8 16.8 628 39 D A H 3<5S+ 0 0 67 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.770 111.2 51.7 -52.9 -31.4 25.7 42.8 20.1 629 40 D A H 3<5S- 0 0 8 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.640 112.2-124.6 -80.9 -15.5 29.4 42.3 19.6 630 41 D G T <<5S+ 0 0 66 -3,-2.0 2,-0.3 -4,-0.9 -3,-0.2 0.770 71.7 112.8 77.2 26.7 29.8 46.0 19.2 631 42 D V S - 0 0 98 -2,-0.3 4,-2.1 1,-0.1 3,-0.4 -0.457 33.2-115.0 -80.6 154.5 30.7 46.5 12.2 633 44 D R H > S+ 0 0 148 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.897 117.5 55.5 -54.8 -43.6 29.3 43.9 9.8 634 45 D D H > S+ 0 0 49 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.886 107.3 51.4 -56.5 -39.3 32.4 44.1 7.6 635 46 D A H > S+ 0 0 37 -3,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.928 112.9 43.8 -63.3 -47.0 34.4 43.3 10.7 636 47 D L H >X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 3,-0.8 0.950 110.2 56.2 -63.2 -48.7 32.2 40.3 11.6 637 48 D Y H 3< S+ 0 0 151 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.815 99.4 60.3 -54.9 -34.7 32.2 39.1 7.9 638 49 D W H 3< S+ 0 0 214 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.899 116.2 32.5 -62.6 -39.2 36.0 39.0 7.8 639 50 D H H << S+ 0 0 59 -4,-1.0 2,-0.4 -3,-0.8 -2,-0.2 0.823 131.2 27.4 -86.2 -34.0 36.0 36.5 10.7 640 51 D F < - 0 0 8 -4,-3.1 -1,-0.2 -5,-0.1 3,-0.1 -0.986 56.1-155.6-137.4 130.2 32.8 34.7 9.8 641 52 D K S S- 0 0 149 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.899 75.2 -38.5 -63.8 -43.5 30.9 34.2 6.5 642 53 D N S > S- 0 0 56 -6,-0.1 4,-1.4 1,-0.1 3,-0.3 -0.937 73.8 -67.9-166.8-175.5 27.5 33.6 8.2 643 54 D K H > S+ 0 0 25 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.866 121.4 68.5 -56.7 -37.6 25.6 32.1 11.1 644 55 D E H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.946 106.2 36.2 -46.4 -59.8 26.5 28.8 9.7 645 56 D D H > S+ 0 0 35 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.712 112.2 58.6 -73.6 -18.7 30.2 29.1 10.5 646 57 D L H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.952 109.9 45.0 -69.9 -47.1 29.6 31.0 13.8 647 58 D F H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.890 111.3 54.4 -58.9 -42.3 27.6 28.0 15.0 648 59 D D H X S+ 0 0 41 -4,-1.9 4,-3.0 -5,-0.3 -1,-0.2 0.917 108.8 47.8 -58.4 -45.4 30.3 25.7 13.6 649 60 D A H X S+ 0 0 16 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.911 110.7 51.6 -63.2 -44.0 33.0 27.6 15.6 650 61 D L H X S+ 0 0 4 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.946 112.3 45.9 -58.0 -49.3 30.8 27.4 18.8 651 62 D F H X S+ 0 0 4 -4,-2.8 4,-2.4 1,-0.2 3,-0.4 0.943 109.8 54.2 -59.3 -48.3 30.4 23.7 18.3 652 63 D Q H X S+ 0 0 81 -4,-3.0 4,-2.2 1,-0.3 -1,-0.2 0.888 108.2 51.0 -54.4 -40.1 34.1 23.3 17.6 653 64 D R H X S+ 0 0 65 -4,-2.4 4,-2.3 2,-0.2 -1,-0.3 0.841 105.9 52.8 -68.4 -34.7 34.9 25.1 20.9 654 65 D I H X S+ 0 0 1 -4,-1.7 4,-2.0 -3,-0.4 -2,-0.2 0.945 112.1 48.0 -64.2 -42.7 32.6 22.8 22.9 655 66 D C H X S+ 0 0 11 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.883 109.9 51.2 -64.0 -39.7 34.4 19.9 21.4 656 67 D D H X S+ 0 0 59 -4,-2.2 4,-3.3 2,-0.2 5,-0.2 0.916 107.5 52.8 -64.6 -43.2 37.8 21.4 22.2 657 68 D D H X S+ 0 0 33 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.929 112.1 46.9 -56.4 -46.2 36.9 22.0 25.8 658 69 D I H < S+ 0 0 10 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.883 116.2 42.1 -65.8 -40.9 35.9 18.3 26.1 659 70 D E H >< S+ 0 0 83 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.879 110.1 57.1 -73.6 -38.1 39.1 17.0 24.4 660 71 D N H 3< S+ 0 0 135 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.814 101.8 57.1 -62.0 -31.0 41.4 19.4 26.3 661 72 D C T 3< 0 0 87 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.622 360.0 360.0 -75.9 -12.4 40.0 18.0 29.6 662 73 D I < 0 0 129 -3,-1.3 -2,-0.1 -4,-0.3 -3,-0.1 0.700 360.0 360.0 -94.2 360.0 41.1 14.5 28.6 663 ! 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 0.0 664 84 D S > 0 0 69 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -51.9 40.2 4.4 28.7 665 85 D W H > + 0 0 6 1,-0.2 4,-0.8 2,-0.2 62,-0.0 0.676 360.0 48.6 -63.2 -14.5 37.0 2.8 29.6 666 86 D T H > S+ 0 0 82 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.777 108.6 49.1 -93.9 -33.2 37.4 4.6 32.9 667 87 D V H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.804 106.1 60.0 -74.8 -27.3 38.2 8.0 31.5 668 88 D F H X S+ 0 0 19 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.968 105.0 48.1 -60.8 -52.9 35.1 7.6 29.3 669 89 D R H X S+ 0 0 72 -4,-0.8 4,-2.5 1,-0.2 3,-0.4 0.955 113.4 46.7 -50.2 -58.2 33.0 7.3 32.4 670 90 D H H X S+ 0 0 92 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.834 109.3 56.1 -55.6 -36.0 34.6 10.4 34.0 671 91 D T H X S+ 0 0 31 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.901 108.8 45.7 -65.0 -41.5 34.2 12.2 30.7 672 92 D L H X S+ 0 0 14 -4,-2.3 4,-1.7 -3,-0.4 -2,-0.2 0.918 113.4 50.3 -68.5 -41.0 30.5 11.6 30.6 673 93 D L H X S+ 0 0 40 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.910 112.7 46.2 -62.0 -43.2 30.2 12.6 34.3 674 94 D H H X S+ 0 0 88 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.858 105.5 61.0 -68.9 -35.6 32.1 15.8 33.7 675 95 D F H X S+ 0 0 26 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.924 108.4 42.8 -58.5 -44.0 30.1 16.7 30.6 676 96 D F H < S+ 0 0 6 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.848 112.3 52.6 -73.4 -30.5 26.9 16.8 32.7 677 97 D E H >X S+ 0 0 100 -4,-1.5 3,-1.3 1,-0.2 4,-1.2 0.911 107.8 53.8 -67.6 -39.6 28.6 18.7 35.5 678 98 D R H 3X S+ 0 0 34 -4,-2.9 4,-2.6 1,-0.3 3,-0.4 0.874 94.2 69.6 -62.8 -36.4 29.7 21.2 32.9 679 99 D L H 3< S+ 0 0 0 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.734 112.3 30.0 -55.7 -21.4 26.2 21.7 31.6 680 100 D Q H <4 S+ 0 0 86 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.575 124.1 42.9-115.6 -10.1 25.3 23.5 34.9 681 101 D S H < S+ 0 0 96 -4,-1.2 2,-0.6 -3,-0.4 -3,-0.2 0.691 105.6 64.6-105.3 -23.6 28.6 25.1 36.0 682 102 D N X - 0 0 46 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 -0.892 63.6-159.2-108.2 116.6 29.7 26.4 32.6 683 103 D D H > S+ 0 0 109 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.831 92.4 51.4 -60.1 -37.8 27.6 29.1 30.9 684 104 D I H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.920 113.3 45.2 -68.1 -42.3 28.9 28.5 27.4 685 105 D H H > S+ 0 0 0 2,-0.2 4,-1.6 -7,-0.2 -2,-0.2 0.850 113.8 49.5 -69.5 -33.8 28.2 24.8 27.6 686 106 D Y H X S+ 0 0 40 -4,-2.2 4,-2.0 -8,-0.3 -2,-0.2 0.967 115.4 42.1 -68.5 -51.9 24.8 25.3 29.1 687 107 D K H X S+ 0 0 37 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.911 113.0 52.5 -61.7 -46.1 23.7 27.8 26.5 688 108 D F H X S+ 0 0 1 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.914 114.1 41.4 -57.9 -47.5 25.2 26.0 23.5 689 109 D H H X S+ 0 0 9 -4,-1.6 4,-2.2 2,-0.2 5,-0.3 0.835 112.9 55.1 -72.2 -29.7 23.4 22.7 24.4 690 110 D N H X>S+ 0 0 6 -4,-2.0 4,-3.1 2,-0.2 5,-0.6 0.957 111.3 44.6 -65.6 -47.1 20.3 24.6 25.2 691 111 D I H X5S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.929 111.9 54.1 -59.5 -45.4 20.3 26.2 21.8 692 112 D L H <5S+ 0 0 20 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.875 120.7 29.2 -58.8 -41.2 21.2 22.8 20.2 693 113 D F H <5S+ 0 0 12 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.797 135.0 22.3 -92.7 -29.2 18.2 21.1 21.8 694 114 D L H <5S+ 0 0 11 -4,-3.1 -191,-2.7 -5,-0.3 -3,-0.2 0.615 123.6 39.5-115.5 -17.2 15.6 23.8 22.2 695 115 D K S < - 0 0 11 -2,-1.9 3,-1.2 -286,-0.1 7,-0.2 -0.678 68.7-104.5-111.3 167.1 13.2 23.9 9.0 700 120 D E G > S+ 0 0 171 -288,-0.5 3,-1.6 1,-0.3 4,-0.3 0.881 119.7 58.0 -60.9 -38.4 14.5 24.6 5.5 701 121 D Q G 3 S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.669 111.2 43.4 -68.1 -13.0 15.9 28.0 6.6 702 122 D N G <> S+ 0 0 0 -3,-1.2 4,-2.3 1,-0.1 3,-0.4 0.252 79.2 113.4-111.6 8.2 18.0 26.2 9.1 703 123 D A H <> S+ 0 0 43 -3,-1.6 4,-1.9 1,-0.2 5,-0.1 0.852 76.9 49.8 -48.6 -43.9 19.1 23.4 6.8 704 124 D A H > S+ 0 0 46 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.887 109.6 49.9 -66.7 -40.4 22.7 24.5 6.8 705 125 D V H > S+ 0 0 0 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.903 110.7 51.2 -64.1 -40.0 23.0 24.8 10.6 706 126 D I H X S+ 0 0 12 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.884 106.7 53.0 -65.4 -37.6 21.5 21.3 10.9 707 127 D A H X S+ 0 0 60 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.902 110.2 49.3 -62.9 -40.7 24.0 19.9 8.4 708 128 D I H X S+ 0 0 17 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.930 110.6 48.8 -63.8 -46.4 26.7 21.4 10.6 709 129 D A H X S+ 0 0 6 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.865 110.6 52.2 -63.3 -35.1 25.3 19.9 13.8 710 130 D R H X S+ 0 0 94 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.891 105.7 53.7 -67.8 -38.3 25.1 16.5 12.0 711 131 D K H X S+ 0 0 101 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.954 111.4 45.7 -59.1 -50.8 28.7 16.7 11.0 712 132 D H H X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.843 110.4 53.7 -63.1 -33.9 29.7 17.3 14.6 713 133 D Q H X S+ 0 0 25 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.913 105.5 53.7 -67.4 -39.7 27.4 14.5 15.8 714 134 D A H X S+ 0 0 47 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.879 105.5 55.0 -60.1 -39.2 29.1 12.1 13.4 715 135 D I H X S+ 0 0 51 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.927 107.4 48.3 -59.8 -47.5 32.4 13.0 14.9 716 136 D W H X S+ 0 0 55 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.839 109.5 55.5 -61.7 -33.3 31.1 12.2 18.4 717 137 D R H X S+ 0 0 71 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.941 106.5 48.7 -64.1 -48.4 29.9 8.9 17.0 718 138 D E H X S+ 0 0 115 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.901 112.3 48.9 -58.9 -43.3 33.3 7.9 15.6 719 139 D K H X S+ 0 0 79 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.863 111.2 49.1 -67.7 -35.6 34.9 8.7 18.9 720 140 D I H X S+ 0 0 17 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.908 111.8 49.2 -69.9 -41.1 32.4 6.7 20.9 721 141 D T H >X S+ 0 0 41 -4,-2.7 4,-2.3 1,-0.2 3,-0.9 0.973 110.7 50.6 -59.5 -52.2 32.8 3.8 18.5 722 142 D A H 3X S+ 0 0 48 -4,-2.8 4,-1.1 1,-0.3 -1,-0.2 0.811 108.6 51.2 -54.6 -35.9 36.6 4.0 18.9 723 143 D V H 3X S+ 0 0 22 -4,-1.7 4,-1.3 1,-0.2 -1,-0.3 0.773 110.7 49.7 -74.7 -23.7 36.3 4.0 22.7 724 144 D L H X S+ 0 0 92 -4,-1.1 3,-1.0 -5,-0.2 4,-0.7 0.841 108.5 54.1 -80.1 -35.8 39.3 -0.3 22.9 727 147 D A H ><>S+ 0 0 2 -4,-1.3 5,-2.4 1,-0.3 6,-1.5 0.858 103.9 55.0 -67.0 -35.9 37.1 -1.5 25.8 728 148 D V T 3<5S+ 0 0 21 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.520 110.4 52.1 -74.0 -1.9 36.4 -4.8 24.0 729 149 D E T <45S+ 0 0 134 -3,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.572 106.0 46.1-109.8 -14.1 40.2 -5.0 23.8 730 150 D N T <<5S- 0 0 97 -4,-0.7 -2,-0.2 -3,-0.7 -3,-0.1 0.189 117.7-107.8-108.9 10.4 41.2 -4.5 27.5 731 151 D Q T 5S+ 0 0 158 -4,-0.3 -3,-0.2 2,-0.2 -4,-0.1 0.759 89.6 122.2 68.2 27.2 38.5 -7.0 28.4 732 152 D D S - 0 0 30 49,-2.3 4,-2.1 1,-0.2 -1,-0.1 -0.670 28.5-176.5 -80.5 98.4 27.4 -5.3 19.4 739 159 D K H > S+ 0 0 58 -2,-1.2 4,-2.7 2,-0.2 5,-0.2 0.912 75.2 58.8 -62.6 -48.2 29.1 -1.9 18.9 740 160 D E H > S+ 0 0 137 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.932 114.5 36.7 -48.3 -54.7 26.6 -0.6 16.3 741 161 D T H > S+ 0 0 20 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.870 112.0 61.1 -67.4 -36.6 23.7 -0.9 18.7 742 162 D A H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.915 103.4 50.5 -55.3 -45.9 25.9 0.1 21.7 743 163 D V H X S+ 0 0 16 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.886 111.5 46.4 -59.9 -44.6 26.6 3.5 20.0 744 164 D I H X S+ 0 0 33 -4,-1.4 4,-2.6 -5,-0.2 5,-0.2 0.914 112.4 52.5 -65.4 -40.6 22.9 4.2 19.4 745 165 D F H X S+ 0 0 11 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.928 112.7 44.0 -59.3 -48.3 22.2 3.1 23.0 746 166 D I H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.960 117.0 43.0 -63.7 -54.9 24.8 5.5 24.4 747 167 D K H X S+ 0 0 14 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.919 115.4 51.1 -57.9 -44.1 23.9 8.5 22.3 748 168 D S H X S+ 0 0 2 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.923 110.8 48.1 -59.4 -46.8 20.2 7.8 22.9 749 169 D T H X S+ 0 0 25 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.937 115.5 43.9 -60.8 -48.0 20.7 7.6 26.6 750 170 D L H X S+ 0 0 26 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.923 115.7 47.4 -63.4 -46.9 22.7 10.8 26.8 751 171 D D H X S+ 0 0 21 -4,-3.1 4,-3.3 -5,-0.2 5,-0.3 0.902 107.8 56.2 -62.0 -43.6 20.4 12.8 24.5 752 172 D G H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.923 109.7 45.8 -54.5 -46.1 17.3 11.6 26.3 753 173 D L H X S+ 0 0 2 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.919 114.8 46.4 -65.5 -44.0 18.7 13.0 29.6 754 174 D I H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.932 115.3 45.9 -64.8 -46.7 19.7 16.3 28.0 755 175 D W H X S+ 0 0 17 -4,-3.3 4,-3.1 2,-0.2 5,-0.4 0.951 113.4 50.7 -59.3 -50.2 16.4 16.7 26.2 756 176 D R H X S+ 0 0 14 -4,-2.7 4,-1.7 -5,-0.3 7,-0.3 0.932 111.5 47.1 -52.5 -53.2 14.5 15.8 29.3 757 177 D W H <>S+ 0 0 14 -4,-2.7 5,-3.3 2,-0.2 6,-0.5 0.941 119.2 38.3 -59.7 -50.7 16.4 18.3 31.5 758 178 D F H ><5S+ 0 0 2 -4,-2.5 3,-2.5 3,-0.2 -2,-0.2 0.968 115.2 49.9 -68.3 -51.9 16.1 21.2 29.1 759 179 D S H 3<5S+ 0 0 5 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.803 110.8 51.5 -59.6 -26.7 12.5 20.6 27.8 760 180 D S T 3<5S- 0 0 16 -4,-1.7 -1,-0.3 -5,-0.4 -2,-0.2 0.430 120.4-111.6 -87.6 1.8 11.3 20.3 31.4 761 181 D 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