==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 02-MAY-08 3D0W . COMPND 2 MOLECULE: YFLH PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR J.SEETHARAMAN,A.P.KUZIN,H.NEELY,F.FOROUHAR,S.MIN,L.ZHAO, . 341 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 76.0 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 0 0 0 1 4 1 2 0 0 2 2 0 0 0 0 0 0 0 0 0 1 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 . 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 19 A G 0 0 92 0, 0.0 137,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -54.7 13.6 44.6 25.5 2 20 A T + 0 0 60 2,-0.1 2,-0.3 3,-0.0 3,-0.0 0.866 360.0 89.3 -65.3 -37.4 15.2 41.3 24.6 3 21 A I S S- 0 0 39 1,-0.1 222,-0.1 2,-0.1 2,-0.1 -0.471 88.3-116.9 -66.6 122.3 12.6 39.3 26.6 4 22 A K >> - 0 0 22 220,-0.4 4,-1.6 -2,-0.3 3,-1.2 -0.358 20.6-120.5 -63.0 135.6 9.6 38.4 24.3 5 23 A E H 3> S+ 0 0 115 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.783 110.5 54.8 -46.0 -38.7 6.4 40.0 25.6 6 24 A D H 3> S+ 0 0 16 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.869 104.3 53.2 -68.7 -35.1 4.6 36.6 26.0 7 25 A I H <> S+ 0 0 12 -3,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.890 113.6 45.0 -65.7 -36.8 7.4 35.2 28.2 8 26 A L H X S+ 0 0 51 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.943 112.5 49.5 -69.3 -51.2 7.0 38.3 30.4 9 27 A K H X S+ 0 0 112 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.913 109.4 52.3 -56.1 -45.8 3.2 38.2 30.4 10 28 A D H X S+ 0 0 42 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.900 112.1 46.5 -58.6 -40.8 3.2 34.5 31.3 11 29 A F H X S+ 0 0 0 -4,-1.5 4,-3.4 2,-0.2 5,-0.3 0.926 109.9 53.2 -67.6 -43.2 5.5 35.3 34.2 12 30 A E H X S+ 0 0 89 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.890 112.1 45.4 -58.1 -40.0 3.3 38.2 35.3 13 31 A E H X S+ 0 0 109 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.907 112.4 51.0 -69.5 -42.8 0.3 36.0 35.3 14 32 A F H X S+ 0 0 2 -4,-2.4 4,-1.9 -5,-0.2 3,-0.3 0.953 111.3 48.0 -57.5 -51.3 2.2 33.3 37.2 15 33 A K H X S+ 0 0 7 -4,-3.4 4,-2.5 1,-0.2 -1,-0.2 0.898 110.5 52.5 -57.2 -41.8 3.3 35.8 39.8 16 34 A G H X S+ 0 0 31 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.831 105.8 54.0 -64.9 -32.5 -0.3 37.0 40.0 17 35 A Y H X S+ 0 0 66 -4,-2.0 4,-1.9 -3,-0.3 -1,-0.2 0.883 109.9 46.9 -68.8 -39.0 -1.5 33.5 40.7 18 36 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.927 110.0 52.5 -67.9 -44.1 0.9 33.1 43.6 19 37 A K H X S+ 0 0 78 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.859 107.9 53.6 -59.2 -33.0 -0.1 36.5 45.0 20 38 A K H X S+ 0 0 119 -4,-1.6 4,-2.3 2,-0.2 5,-0.3 0.913 106.7 51.0 -66.3 -43.9 -3.7 35.1 44.7 21 39 A Q H X S+ 0 0 36 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.919 113.1 46.1 -57.3 -48.4 -2.8 32.1 46.8 22 40 A V H X S+ 0 0 11 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.950 111.3 49.0 -61.8 -54.5 -1.2 34.3 49.4 23 41 A N H X S+ 0 0 79 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.924 114.9 44.7 -54.0 -50.2 -4.0 36.8 49.8 24 42 A R H X S+ 0 0 152 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.917 113.9 51.1 -61.5 -42.7 -6.6 34.2 50.1 25 43 A G H X S+ 0 0 18 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.934 112.3 44.8 -60.5 -46.4 -4.5 32.3 52.5 26 44 A K H X S+ 0 0 73 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.881 111.0 55.7 -65.3 -36.7 -3.9 35.3 54.7 27 45 A K H X S+ 0 0 98 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.894 106.6 49.6 -61.5 -44.0 -7.6 36.2 54.5 28 46 A L H < S+ 0 0 100 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.881 113.8 45.4 -64.5 -39.5 -8.6 32.8 55.8 29 47 A G H ><>S+ 0 0 9 -4,-1.7 5,-2.3 -5,-0.2 3,-1.4 0.920 109.8 54.0 -70.0 -43.7 -6.2 33.0 58.7 30 48 A L H ><5S+ 0 0 101 -4,-2.7 3,-2.7 1,-0.3 -2,-0.2 0.926 102.2 57.8 -56.2 -46.5 -7.2 36.6 59.5 31 49 A D T 3<5S+ 0 0 120 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.723 108.8 48.1 -58.0 -19.7 -10.9 35.6 59.7 32 50 A D T < 5S- 0 0 122 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.101 122.2-106.5-107.0 20.9 -9.8 33.1 62.4 33 51 A G T < 5S+ 0 0 69 -3,-2.7 2,-0.4 1,-0.2 -3,-0.2 0.850 81.5 123.5 59.4 36.2 -7.7 35.6 64.3 34 52 A K < - 0 0 147 -5,-2.3 2,-0.6 -8,-0.2 -2,-0.2 -0.965 59.1-134.6-131.3 146.9 -4.5 34.1 63.1 35 53 A L - 0 0 171 -2,-0.4 2,-0.4 -3,-0.1 -9,-0.1 -0.886 24.0-164.4 -99.6 122.5 -1.5 35.5 61.3 36 54 A V - 0 0 47 -2,-0.6 2,-0.2 -10,-0.1 -6,-0.1 -0.920 15.9-127.3-111.7 132.4 -0.3 33.2 58.5 37 55 A K > - 0 0 163 -2,-0.4 4,-1.9 1,-0.1 3,-0.3 -0.519 11.4-132.5 -78.1 142.5 3.1 33.5 56.8 38 56 A S H > S+ 0 0 20 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.873 107.6 55.9 -59.4 -39.1 3.3 33.8 53.1 39 57 A A H > S+ 0 0 27 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.854 105.8 51.3 -64.4 -34.4 6.1 31.2 53.0 40 58 A A H > S+ 0 0 47 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.923 111.7 47.4 -68.1 -42.8 3.8 28.7 54.8 41 59 A I H X S+ 0 0 21 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.924 113.4 46.1 -64.7 -45.6 1.0 29.3 52.3 42 60 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.859 111.5 54.1 -66.5 -33.1 3.3 29.0 49.2 43 61 A G H X S+ 0 0 12 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.935 108.4 47.6 -65.0 -46.4 4.8 25.8 50.8 44 62 A D H X S+ 0 0 103 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.886 110.3 55.2 -60.3 -38.3 1.4 24.3 51.2 45 63 A Y H >< S+ 0 0 4 -4,-2.1 3,-1.3 1,-0.2 5,-0.5 0.954 110.2 42.8 -59.6 -52.1 0.7 25.3 47.6 46 64 A L H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.845 106.4 64.1 -64.5 -30.9 3.7 23.5 46.2 47 65 A A H 3< S+ 0 0 53 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.686 89.7 68.8 -66.6 -16.3 2.9 20.5 48.5 48 66 A K T << S- 0 0 123 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.736 93.7-143.8 -73.2 -23.1 -0.3 20.1 46.5 49 67 A H < - 0 0 122 -3,-1.4 -3,-0.1 -4,-0.4 -2,-0.1 0.919 26.2-170.8 58.0 46.1 1.7 18.9 43.5 50 68 A E - 0 0 65 -5,-0.5 -1,-0.1 1,-0.1 11,-0.1 -0.376 34.8 -90.3 -67.1 146.5 -0.7 20.6 41.1 51 69 A E - 0 0 109 1,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.396 47.9-113.4 -60.7 123.9 -0.3 19.9 37.4 52 70 A P - 0 0 10 0, 0.0 124,-0.3 0, 0.0 -1,-0.1 -0.354 30.2-174.9 -61.7 134.0 2.2 22.5 35.9 53 71 A Q + 0 0 117 1,-0.1 2,-0.3 122,-0.1 -2,-0.1 0.421 67.5 13.2-109.1 -2.9 0.5 24.8 33.4 54 72 A N S > S- 0 0 25 1,-0.0 4,-2.2 173,-0.0 5,-0.2 -0.968 87.9 -88.4-161.7 170.1 3.7 26.6 32.3 55 73 A G H > S+ 0 0 11 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.815 121.2 58.2 -55.5 -35.4 7.5 26.6 32.5 56 74 A E H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.960 110.7 41.1 -59.9 -51.8 7.5 28.5 35.8 57 75 A E H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.834 112.5 55.3 -67.0 -34.2 5.3 25.9 37.5 58 76 A X H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.944 110.1 45.3 -65.0 -48.3 7.2 23.0 35.9 59 77 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.936 112.5 52.2 -61.4 -45.1 10.6 24.3 37.3 60 78 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.915 111.0 45.8 -57.9 -46.1 9.1 24.9 40.7 61 79 A Q H X S+ 0 0 19 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.879 112.8 50.2 -66.1 -38.4 7.7 21.4 41.1 62 80 A E H X S+ 0 0 48 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.887 112.3 47.7 -66.8 -38.6 10.9 19.8 39.8 63 81 A L H >X S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 4,-0.6 0.924 111.3 51.4 -65.8 -43.5 12.9 21.9 42.3 64 82 A W H >< S+ 0 0 13 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.856 103.0 60.0 -61.5 -37.4 10.5 21.0 45.1 65 83 A S H 3< S+ 0 0 66 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.696 111.6 38.1 -67.4 -20.1 10.8 17.3 44.3 66 84 A V H << S+ 0 0 24 -3,-1.0 2,-0.3 -4,-0.7 -1,-0.2 0.377 94.9 108.3-111.1 4.3 14.6 17.3 44.9 67 85 A A << - 0 0 15 -3,-0.8 2,-0.1 -4,-0.6 -3,-0.0 -0.589 58.9-141.3 -86.2 140.8 14.6 19.6 48.0 68 86 A D > - 0 0 80 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.371 43.6 -85.4 -86.9 177.0 15.2 18.5 51.5 69 87 A E H > S+ 0 0 158 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.853 129.2 45.4 -53.5 -42.5 13.2 20.1 54.4 70 88 A D H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.913 111.8 51.8 -67.9 -43.5 15.5 23.1 54.8 71 89 A E H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.816 107.4 53.6 -63.3 -31.4 15.7 23.8 51.1 72 90 A K H X S+ 0 0 68 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.908 109.5 47.2 -69.5 -42.5 11.9 23.7 50.8 73 91 A E H X S+ 0 0 101 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.921 115.3 46.4 -64.4 -43.6 11.6 26.3 53.5 74 92 A H H X S+ 0 0 82 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.870 111.0 50.4 -68.0 -38.1 14.2 28.5 51.9 75 93 A L H X S+ 0 0 8 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.863 110.1 51.1 -68.0 -35.5 12.8 28.2 48.4 76 94 A A H X S+ 0 0 3 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.880 110.0 50.6 -66.7 -37.9 9.4 29.2 49.7 77 95 A Q H X S+ 0 0 85 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.914 110.8 48.0 -65.3 -43.2 11.0 32.2 51.4 78 96 A L H X S+ 0 0 6 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.890 108.7 54.6 -65.3 -39.3 12.7 33.2 48.1 79 97 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.820 103.9 55.0 -64.0 -32.9 9.4 32.8 46.2 80 98 A V H X S+ 0 0 25 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.908 107.9 49.0 -66.9 -40.2 7.7 35.2 48.7 81 99 A K H < S+ 0 0 79 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.868 111.1 50.9 -65.0 -36.5 10.4 37.8 47.9 82 100 A L H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.930 110.0 48.8 -67.4 -43.9 9.8 37.1 44.1 83 101 A V H 3< S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.924 112.4 48.3 -61.6 -43.9 6.0 37.6 44.5 84 102 A D T 3< S+ 0 0 111 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.093 87.5 131.5 -84.9 24.3 6.4 40.8 46.5 85 103 A K < 0 0 57 -3,-1.4 -3,-0.1 -5,-0.1 153,-0.0 -0.484 360.0 360.0 -81.0 150.4 8.9 42.2 43.9 86 104 A Q 0 0 197 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.1 -0.164 360.0 360.0 42.0 360.0 8.6 45.8 42.4 87 !* 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 88 19 B G 0 0 121 0, 0.0 2,-0.2 0, 0.0 220,-0.0 0.000 360.0 360.0 360.0 -59.6 22.4 20.6 -0.6 89 20 B T - 0 0 109 220,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.717 360.0-134.5-118.6 169.4 22.7 21.4 3.1 90 21 B I - 0 0 52 -2,-0.2 5,-0.1 219,-0.1 221,-0.1 -0.962 35.1 -93.4-125.8 142.3 22.1 24.4 5.4 91 22 B K > - 0 0 98 219,-0.4 4,-2.1 -2,-0.4 5,-0.2 -0.052 31.0-120.4 -51.3 152.7 24.4 25.8 8.1 92 23 B E H > S+ 0 0 139 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.901 112.4 49.0 -62.9 -45.7 23.9 24.7 11.7 93 24 B D H > S+ 0 0 72 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.779 110.0 53.4 -67.6 -26.6 23.2 28.2 13.0 94 25 B I H > S+ 0 0 14 2,-0.2 4,-2.2 3,-0.1 -2,-0.2 0.942 112.1 42.8 -72.6 -49.0 20.7 28.8 10.2 95 26 B L H X S+ 0 0 75 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.940 114.1 51.7 -62.0 -48.1 18.7 25.7 11.0 96 27 B K H X S+ 0 0 107 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.926 110.7 47.8 -55.0 -49.0 18.9 26.3 14.8 97 28 B D H X S+ 0 0 63 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.891 112.0 50.0 -60.3 -41.5 17.6 29.8 14.4 98 29 B F H X S+ 0 0 3 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.918 109.4 51.3 -64.9 -42.3 14.8 28.8 12.1 99 30 B E H X S+ 0 0 107 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.921 110.2 48.5 -60.4 -45.2 13.7 26.0 14.6 100 31 B E H X S+ 0 0 111 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.930 112.9 49.8 -59.3 -45.2 13.7 28.5 17.4 101 32 B F H X S+ 0 0 2 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.952 113.0 44.9 -57.8 -53.1 11.6 30.8 15.2 102 33 B K H X S+ 0 0 12 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.894 112.4 52.7 -60.1 -41.5 9.2 28.1 14.3 103 34 B G H X S+ 0 0 33 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.890 106.4 51.9 -63.0 -40.5 8.9 26.9 17.8 104 35 B Y H X S+ 0 0 18 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.817 109.2 50.9 -66.4 -31.1 8.1 30.3 19.2 105 36 B L H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.911 107.0 52.8 -72.3 -42.3 5.3 30.7 16.6 106 37 B K H X S+ 0 0 80 -4,-2.0 4,-2.4 1,-0.3 -2,-0.2 0.845 107.3 52.4 -62.0 -34.2 3.7 27.4 17.5 107 38 B K H X S+ 0 0 54 -4,-1.6 4,-2.6 2,-0.2 -1,-0.3 0.834 106.4 54.6 -70.9 -30.1 3.6 28.4 21.2 108 39 B Q H X S+ 0 0 22 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.890 109.4 46.6 -68.2 -39.2 1.8 31.6 20.1 109 40 B V H X S+ 0 0 11 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.914 110.3 53.8 -68.0 -41.7 -0.8 29.5 18.3 110 41 B N H X S+ 0 0 53 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.956 107.8 51.1 -54.3 -53.5 -1.1 27.3 21.4 111 42 B R H X S+ 0 0 86 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.923 113.2 43.4 -49.1 -55.8 -1.7 30.4 23.6 112 43 B G H X S+ 0 0 11 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.866 110.1 56.2 -62.4 -39.2 -4.5 31.7 21.4 113 44 B K H X S+ 0 0 87 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.897 109.4 45.2 -60.7 -44.7 -6.1 28.3 20.9 114 45 B K H X S+ 0 0 91 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.938 109.7 54.6 -65.5 -47.6 -6.5 27.7 24.7 115 46 B L H X S+ 0 0 113 -4,-2.0 4,-1.9 1,-0.3 -2,-0.2 0.938 111.9 44.7 -51.0 -50.9 -7.8 31.2 25.3 116 47 B G H <>S+ 0 0 5 -4,-2.3 5,-3.7 1,-0.2 -1,-0.3 0.905 111.7 54.9 -60.2 -40.3 -10.5 30.6 22.7 117 48 B L H ><5S+ 0 0 106 -4,-2.1 3,-1.2 3,-0.2 -2,-0.2 0.901 107.3 48.2 -59.7 -45.2 -11.1 27.2 24.2 118 49 B D H 3<5S+ 0 0 131 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.862 111.3 50.1 -65.8 -35.2 -11.7 28.6 27.7 119 50 B D T 3<5S- 0 0 93 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.362 118.9-113.4 -83.8 6.6 -14.1 31.2 26.4 120 51 B G T < 5S+ 0 0 68 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.894 76.9 123.9 63.6 40.9 -15.9 28.4 24.5 121 52 B K < - 0 0 138 -5,-3.7 2,-0.5 -8,-0.1 -1,-0.2 -0.967 61.2-127.0-135.2 149.6 -14.9 29.8 21.1 122 53 B L - 0 0 180 -2,-0.3 2,-0.4 -3,-0.1 -9,-0.1 -0.814 27.6-171.6 -94.3 131.5 -13.0 28.5 18.1 123 54 B V - 0 0 43 -2,-0.5 2,-0.1 -10,-0.1 -7,-0.1 -0.976 19.0-127.9-130.2 121.8 -10.1 30.7 17.0 124 55 B K >> - 0 0 165 -2,-0.4 4,-1.9 1,-0.1 3,-0.7 -0.362 14.5-129.1 -69.0 141.5 -8.1 30.2 13.8 125 56 B S H 3> S+ 0 0 22 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.801 108.5 58.1 -56.9 -33.6 -4.4 29.9 13.8 126 57 B A H 3> S+ 0 0 25 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.847 105.1 49.1 -67.9 -35.9 -4.1 32.6 11.1 127 58 B A H <> S+ 0 0 48 -3,-0.7 4,-2.8 2,-0.2 -2,-0.2 0.913 111.9 50.4 -68.9 -42.0 -6.0 35.1 13.2 128 59 B I H X S+ 0 0 18 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.963 113.0 42.8 -60.1 -55.9 -3.7 34.4 16.2 129 60 B L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.811 113.2 56.5 -61.9 -27.9 -0.5 34.8 14.2 130 61 B G H X S+ 0 0 12 -4,-1.5 4,-1.7 -5,-0.2 -2,-0.2 0.946 107.3 45.7 -67.8 -47.7 -2.1 37.8 12.7 131 62 B D H < S+ 0 0 105 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.885 111.9 55.1 -61.9 -37.1 -2.7 39.4 16.0 132 63 B Y H >< S+ 0 0 22 -4,-2.3 3,-1.7 1,-0.2 5,-0.4 0.942 107.8 45.7 -60.4 -51.9 0.8 38.5 17.0 133 64 B L H >< S+ 0 0 20 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.796 102.3 67.4 -63.8 -27.6 2.5 40.2 14.0 134 65 B A T 3< S+ 0 0 54 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.499 87.6 70.2 -71.5 -2.2 0.3 43.3 14.7 135 66 B K T < S- 0 0 151 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 0.579 91.8-144.7 -89.7 -12.3 2.2 43.8 17.9 136 67 B H < - 0 0 130 -3,-1.6 -3,-0.1 -4,-0.2 -2,-0.1 0.882 26.3-173.0 49.7 47.2 5.4 44.8 16.0 137 68 B E - 0 0 50 -5,-0.4 -1,-0.1 1,-0.1 11,-0.1 -0.391 36.3 -86.7 -70.6 150.5 7.7 43.1 18.5 138 69 B E - 0 0 55 -137,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.356 48.0-117.9 -58.6 121.7 11.5 43.7 18.2 139 70 B P - 0 0 1 0, 0.0 123,-0.4 0, 0.0 -1,-0.1 -0.398 25.3-170.9 -65.8 136.9 12.9 41.1 15.7 140 71 B Q + 0 0 33 1,-0.1 2,-0.3 -2,-0.1 -2,-0.1 0.336 68.1 11.8-108.2 2.2 15.5 38.8 17.2 141 72 B N S > S- 0 0 17 1,-0.1 4,-2.2 -40,-0.0 5,-0.2 -0.978 88.7 -85.8-167.3 169.6 16.7 37.2 14.0 142 73 B G H > S+ 0 0 12 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.826 121.4 58.9 -55.6 -34.8 16.5 37.4 10.2 143 74 B E H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.976 109.4 40.9 -59.7 -55.6 13.3 35.5 10.2 144 75 B E H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.846 113.2 56.0 -62.4 -34.3 11.4 37.9 12.4 145 76 B X H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.950 109.2 45.2 -63.5 -49.1 13.0 40.9 10.5 146 77 B L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.923 112.9 50.6 -61.0 -45.9 11.7 39.7 7.1 147 78 B L H X S+ 0 0 2 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.919 110.5 49.3 -58.3 -46.1 8.2 38.9 8.5 148 79 B Q H X S+ 0 0 47 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.910 113.2 47.3 -59.9 -43.5 8.0 42.4 10.0 149 80 B E H < S+ 0 0 25 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.902 113.5 46.7 -67.4 -40.1 9.1 44.0 6.8 150 81 B L H >X S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.2 4,-0.6 0.932 110.2 53.9 -65.8 -44.0 6.7 41.9 4.7 151 82 B W H >< S+ 0 0 17 -4,-3.0 3,-0.8 1,-0.3 -1,-0.2 0.863 103.3 58.4 -57.9 -36.0 3.8 42.7 7.1 152 83 B S T 3< S+ 0 0 62 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.597 111.0 39.0 -72.4 -13.3 4.5 46.4 6.7 153 84 B V T <4 S+ 0 0 32 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 0.339 95.1 106.1-116.0 5.3 4.0 46.5 2.9 154 85 B A << - 0 0 15 -3,-0.8 2,-0.1 -4,-0.6 182,-0.0 -0.630 60.7-140.5 -89.4 141.7 1.0 44.1 2.9 155 86 B D > - 0 0 79 -2,-0.3 4,-2.3 1,-0.0 5,-0.2 -0.338 42.5 -84.9 -86.6 178.6 -2.5 45.1 2.3 156 87 B E H > S+ 0 0 149 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.891 128.8 43.7 -52.7 -47.5 -5.4 43.5 4.3 157 88 B D H > S+ 0 0 95 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.902 112.5 52.2 -67.3 -41.2 -5.8 40.5 1.9 158 89 B E H > S+ 0 0 25 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.862 106.9 54.7 -62.8 -35.5 -2.1 39.9 1.7 159 90 B K H X S+ 0 0 72 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.925 108.1 48.3 -63.7 -44.7 -1.9 39.9 5.5 160 91 B E H X S+ 0 0 96 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.937 115.2 44.6 -60.4 -48.2 -4.6 37.2 5.7 161 92 B H H X S+ 0 0 69 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.866 112.1 51.2 -66.2 -38.8 -2.9 35.1 3.1 162 93 B L H X S+ 0 0 7 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.904 110.7 50.3 -65.5 -39.0 0.6 35.6 4.6 163 94 B A H X S+ 0 0 3 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.910 111.1 48.2 -63.7 -42.4 -0.8 34.6 8.0 164 95 B Q H X S+ 0 0 80 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.924 110.9 50.3 -64.5 -44.0 -2.4 31.4 6.5 165 96 B L H X S+ 0 0 5 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.863 108.5 54.3 -60.9 -36.4 0.9 30.5 4.7 166 97 B L H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 -1,-0.2 0.874 102.8 55.4 -65.9 -39.3 2.7 31.0 8.0 167 98 B V H X S+ 0 0 24 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.880 107.1 50.9 -61.7 -36.8 0.4 28.5 9.8 168 99 B K H < S+ 0 0 83 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.858 110.4 49.2 -69.4 -34.5 1.3 26.0 7.2 169 100 B L H >< S+ 0 0 0 -4,-1.6 3,-1.8 1,-0.2 -2,-0.2 0.972 111.9 48.0 -67.7 -52.2 5.0 26.6 7.8 170 101 B V H 3< S+ 0 0 1 -4,-3.1 2,-0.2 1,-0.3 -2,-0.2 0.935 112.4 49.7 -52.0 -51.0 4.5 26.3 11.5 171 102 B D T 3< S+ 0 0 82 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.3 0.027 86.3 119.5 -81.0 29.5 2.6 23.1 11.1 172 103 B K < 0 0 67 -3,-1.8 -3,-0.0 -2,-0.2 152,-0.0 -0.787 360.0 360.0 -98.1 140.0 5.2 21.5 8.8 173 104 B Q 0 0 219 -2,-0.4 -2,-0.1 0, 0.0 -1,-0.1 -0.170 360.0 360.0 -63.4 360.0 6.9 18.2 9.8 174 !* 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 0.0 175 21 C I 0 0 93 0, 0.0 5,-0.1 0, 0.0 -122,-0.1 0.000 360.0 360.0 360.0 118.2 1.2 17.1 31.6 176 22 C K > - 0 0 68 -124,-0.3 4,-1.9 1,-0.1 5,-0.1 0.052 360.0-125.0 -39.3 143.1 1.1 18.7 28.2 177 23 C E H > S+ 0 0 145 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.842 108.8 55.2 -62.4 -38.2 3.7 17.6 25.7 178 24 C D H > S+ 0 0 40 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.881 106.4 51.2 -64.9 -39.2 4.9 21.1 25.1 179 25 C I H > S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.970 112.3 45.7 -61.9 -54.4 5.5 21.7 28.8 180 26 C L H X S+ 0 0 73 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.902 111.1 52.9 -54.5 -47.7 7.6 18.6 29.2 181 27 C K H X S+ 0 0 129 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.884 107.7 50.5 -57.9 -43.5 9.6 19.2 26.0 182 28 C D H X S+ 0 0 29 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.884 112.8 47.9 -63.3 -38.4 10.6 22.7 27.1 183 29 C F H X S+ 0 0 3 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.925 110.6 49.2 -68.8 -45.4 11.7 21.3 30.5 184 30 C E H X S+ 0 0 110 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.886 113.8 47.2 -61.7 -38.8 13.8 18.5 28.9 185 31 C E H X S+ 0 0 123 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.897 112.8 49.2 -68.1 -40.5 15.4 20.9 26.6 186 32 C F H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.935 114.1 45.2 -62.8 -47.6 16.1 23.3 29.5 187 33 C K H X S+ 0 0 22 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.850 111.3 53.0 -66.0 -36.1 17.5 20.5 31.6 188 34 C G H X S+ 0 0 38 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.889 107.7 51.9 -66.6 -38.0 19.6 19.2 28.7 189 35 C Y H X S+ 0 0 66 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.930 111.4 46.0 -63.7 -46.4 21.1 22.7 28.2 190 36 C L H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.901 110.7 53.2 -64.6 -39.9 22.0 23.0 31.9 191 37 C K H X S+ 0 0 106 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.877 109.0 49.5 -63.6 -35.5 23.5 19.5 31.8 192 38 C K H X S+ 0 0 124 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.864 107.9 54.7 -70.4 -34.7 25.6 20.4 28.8 193 39 C Q H X S+ 0 0 26 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.932 110.1 46.5 -61.1 -48.2 26.8 23.6 30.7 194 40 C V H X S+ 0 0 13 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.902 113.1 47.3 -62.7 -45.6 28.0 21.5 33.6 195 41 C N H X S+ 0 0 81 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.925 112.7 49.2 -63.6 -45.1 29.8 18.9 31.5 196 42 C R H X S+ 0 0 139 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.922 113.4 47.7 -59.9 -45.3 31.5 21.6 29.4 197 43 C G H X S+ 0 0 11 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.896 113.0 47.1 -63.9 -41.8 32.6 23.4 32.6 198 44 C K H X S+ 0 0 87 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.877 112.6 49.3 -68.4 -38.5 33.9 20.2 34.3 199 45 C K H X S+ 0 0 100 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.903 110.5 49.8 -67.2 -42.2 35.8 19.2 31.2 200 46 C L H X S+ 0 0 76 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.885 111.3 50.4 -63.0 -37.7 37.4 22.6 30.8 201 47 C G H ><>S+ 0 0 8 -4,-1.8 5,-2.7 1,-0.2 3,-1.1 0.943 108.8 51.0 -64.3 -46.6 38.4 22.4 34.5 202 48 C L H ><5S+ 0 0 113 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.841 103.4 59.6 -58.9 -34.7 39.9 19.0 33.9 203 49 C D H 3<5S+ 0 0 117 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.799 109.3 44.3 -63.6 -29.0 41.8 20.5 31.0 204 50 C D T <<5S- 0 0 122 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.131 121.9-106.1-101.6 17.5 43.4 22.9 33.5 205 51 C G T < 5S+ 0 0 71 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.719 81.9 118.8 66.7 24.6 44.0 20.3 36.1 206 52 C K < - 0 0 147 -5,-2.7 2,-0.6 -6,-0.1 -1,-0.2 -0.895 62.6-130.6-126.0 152.7 41.2 21.5 38.4 207 53 C L - 0 0 172 -2,-0.3 2,-0.4 -3,-0.1 -9,-0.1 -0.890 27.1-163.0 -98.8 120.1 38.0 20.1 39.8 208 54 C V - 0 0 42 -2,-0.6 2,-0.2 -10,-0.2 -6,-0.1 -0.909 15.3-126.4-108.6 133.8 35.1 22.5 39.2 209 55 C K > - 0 0 144 -2,-0.4 4,-1.8 1,-0.1 3,-0.3 -0.499 10.7-131.4 -78.5 144.1 31.9 22.2 41.2 210 56 C S H > S+ 0 0 18 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.918 108.0 55.8 -59.0 -44.6 28.5 21.9 39.4 211 57 C A H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.847 105.5 51.8 -58.0 -35.8 27.0 24.6 41.6 212 58 C A H > S+ 0 0 33 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.914 111.0 47.6 -67.7 -42.6 29.8 27.0 40.6 213 59 C I H X S+ 0 0 29 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.928 114.7 44.7 -63.2 -47.6 29.2 26.4 36.9 214 60 C L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.881 112.2 53.3 -66.1 -37.2 25.4 26.9 37.2 215 61 C G H X S+ 0 0 12 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.922 108.9 48.5 -63.1 -43.6 25.9 29.9 39.4 216 62 C D H X S+ 0 0 102 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.846 109.7 53.9 -64.6 -33.8 28.2 31.5 36.7 217 63 C Y H >< S+ 0 0 5 -4,-1.9 3,-1.0 1,-0.2 5,-0.5 0.940 110.4 45.2 -64.7 -47.5 25.5 30.7 34.1 218 64 C L H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.876 106.0 60.9 -65.2 -35.3 22.8 32.5 36.1 219 65 C A H 3< S+ 0 0 53 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.696 92.8 68.5 -65.1 -16.8 25.2 35.4 36.7 220 66 C K T << S- 0 0 118 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.716 92.8-144.3 -74.9 -22.2 25.4 35.9 32.9 221 67 C H < - 0 0 122 -3,-1.5 -3,-0.1 -4,-0.4 -2,-0.1 0.918 23.3-169.9 58.3 48.1 21.7 37.0 32.8 222 68 C E - 0 0 71 -5,-0.5 -1,-0.1 1,-0.1 11,-0.1 -0.418 37.3 -86.7 -68.7 146.0 21.0 35.4 29.4 223 69 C E - 0 0 43 1,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.303 48.7-114.7 -55.4 121.7 17.7 36.3 27.8 224 70 C P - 0 0 9 0, 0.0 -220,-0.4 0, 0.0 -1,-0.1 -0.419 32.8-178.0 -63.1 130.7 15.0 34.0 29.1 225 71 C Q + 0 0 90 -2,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.489 66.2 14.4-106.5 -10.8 13.6 31.8 26.3 226 72 C N S > S- 0 0 16 -219,-0.0 4,-2.1 -171,-0.0 5,-0.2 -0.937 88.8 -89.6-154.4 172.0 11.0 29.9 28.4 227 73 C G H > S+ 0 0 12 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.799 120.3 59.7 -59.2 -32.3 9.2 30.0 31.7 228 74 C E H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.955 110.9 39.0 -62.0 -50.7 11.9 27.9 33.4 229 75 C E H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.834 114.1 55.4 -69.5 -32.5 14.6 30.4 32.6 230 76 C X H X S+ 0 0 6 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.931 110.8 45.0 -65.7 -45.0 12.3 33.4 33.3 231 77 C L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.932 112.7 50.7 -65.1 -45.5 11.6 32.0 36.8 232 78 C L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.913 111.1 48.1 -58.9 -44.7 15.3 31.2 37.5 233 79 C Q H X S+ 0 0 24 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.861 113.0 48.2 -65.7 -35.4 16.4 34.7 36.5 234 80 C E H X S+ 0 0 32 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.907 112.4 48.2 -71.1 -40.9 13.6 36.3 38.7 235 81 C L H >X S+ 0 0 0 -4,-2.8 3,-1.1 1,-0.2 4,-0.5 0.927 111.2 51.5 -62.9 -43.3 14.5 34.1 41.7 236 82 C W H >< S+ 0 0 16 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.905 103.3 59.6 -59.4 -42.6 18.2 35.0 41.2 237 83 C S H 3< S+ 0 0 62 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.637 111.3 38.8 -63.8 -17.1 17.4 38.7 41.1 238 84 C V H << S+ 0 0 25 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 0.369 95.2 105.4-113.6 6.3 15.8 38.7 44.6 239 85 C A << - 0 0 15 -3,-1.2 2,-0.1 -4,-0.5 -3,-0.0 -0.650 60.4-139.5 -91.5 140.1 18.3 36.3 46.3 240 86 C D > - 0 0 78 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.277 43.1 -84.7 -84.0 178.8 21.0 37.3 48.7 241 87 C E H > S+ 0 0 154 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.902 129.4 44.5 -53.4 -48.2 24.5 35.7 48.6 242 88 C D H > S+ 0 0 99 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.903 112.4 52.3 -65.0 -40.2 23.6 32.7 50.7 243 89 C E H > S+ 0 0 28 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.861 105.9 55.8 -65.4 -32.3 20.3 32.1 48.8 244 90 C K H X S+ 0 0 73 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.936 107.9 47.0 -65.3 -44.4 22.2 32.2 45.5 245 91 C E H X S+ 0 0 104 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.911 114.9 46.5 -63.9 -40.8 24.6 29.4 46.6 246 92 C H H X S+ 0 0 77 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.853 111.1 51.1 -70.7 -34.5 21.7 27.3 47.8 247 93 C L H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.929 111.2 48.5 -68.1 -42.8 19.6 27.9 44.7 248 94 C A H X S+ 0 0 3 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.898 112.4 49.0 -62.2 -40.1 22.5 26.8 42.5 249 95 C Q H X S+ 0 0 92 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.909 111.7 48.4 -66.4 -42.1 23.0 23.7 44.7 250 96 C L H X S+ 0 0 6 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.895 108.7 54.6 -63.4 -40.5 19.4 22.8 44.5 251 97 C L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.834 102.5 57.6 -62.9 -33.3 19.4 23.4 40.7 252 98 C V H X S+ 0 0 18 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.921 106.1 48.5 -63.5 -42.9 22.3 20.9 40.5 253 99 C K H X S+ 0 0 75 -4,-1.5 4,-0.6 2,-0.2 5,-0.5 0.857 110.6 52.0 -65.6 -34.1 20.2 18.2 42.1 254 100 C L H >< S+ 0 0 0 -4,-1.7 3,-0.9 1,-0.2 -2,-0.2 0.952 113.8 43.2 -65.8 -47.6 17.4 19.1 39.7 255 101 C V H 3< S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.856 111.6 55.4 -60.5 -36.1 19.8 18.7 36.7 256 102 C D H 3< S- 0 0 101 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.510 127.5 -57.1 -85.9 -5.0 21.3 15.5 38.2 257 103 C K << 0 0 108 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.087 360.0 360.0-150.5 -91.3 18.0 13.6 38.5 258 104 C Q 0 0 137 -5,-0.5 -192,-0.1 -196,-0.1 -1,-0.1 0.713 360.0 360.0-111.9 360.0 15.5 14.2 39.9 259 !* 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 0.0 260 20 D T 0 0 170 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 144.4 16.1 49.6 19.0 261 21 D I - 0 0 49 1,-0.1 2,-0.4 2,-0.1 -121,-0.1 -0.466 360.0 -97.2 -78.8 149.7 17.0 46.8 16.6 262 22 D K >> - 0 0 76 -123,-0.4 4,-1.7 1,-0.2 3,-1.4 -0.534 28.6-134.1 -68.5 121.0 20.4 45.1 16.8 263 23 D E H 3> S+ 0 0 172 -2,-0.4 4,-2.6 1,-0.3 5,-0.2 0.775 104.9 60.1 -46.5 -32.4 22.6 46.7 14.1 264 24 D D H 3> S+ 0 0 104 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.905 104.4 48.6 -65.4 -40.4 23.7 43.3 13.0 265 25 D I H <> S+ 0 0 8 -3,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.907 113.4 47.2 -65.1 -42.7 20.1 42.3 12.2 266 26 D L H X S+ 0 0 81 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.911 110.1 50.9 -65.7 -45.4 19.5 45.5 10.2 267 27 D K H X S+ 0 0 138 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.858 110.3 52.5 -60.6 -35.0 22.8 45.2 8.2 268 28 D D H X S+ 0 0 64 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.941 110.4 45.6 -65.7 -49.8 21.8 41.6 7.4 269 29 D F H X S+ 0 0 4 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.889 110.2 54.9 -61.3 -41.9 18.3 42.7 6.1 270 30 D E H X S+ 0 0 96 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.887 110.0 45.5 -60.9 -41.4 19.8 45.5 4.1 271 31 D E H X S+ 0 0 117 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.926 112.7 50.8 -68.2 -43.5 22.2 43.2 2.3 272 32 D F H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.919 113.1 46.2 -57.4 -46.8 19.5 40.7 1.6 273 33 D K H X S+ 0 0 24 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.922 111.9 50.8 -63.7 -45.0 17.3 43.4 0.2 274 34 D G H X S+ 0 0 23 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.855 107.4 54.7 -61.6 -36.0 20.1 44.8 -1.9 275 35 D Y H X S+ 0 0 91 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.918 109.6 46.4 -63.8 -44.6 20.8 41.3 -3.2 276 36 D L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.907 111.2 50.6 -66.1 -42.3 17.2 41.0 -4.4 277 37 D K H X S+ 0 0 85 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.830 107.4 55.6 -65.5 -29.8 17.1 44.4 -6.0 278 38 D K H X S+ 0 0 155 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.889 107.4 49.7 -66.9 -39.9 20.3 43.5 -7.8 279 39 D Q H X S+ 0 0 27 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.882 110.2 49.3 -67.2 -39.2 18.6 40.5 -9.2 280 40 D V H X S+ 0 0 14 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.946 111.1 49.0 -65.8 -47.7 15.5 42.4 -10.4 281 41 D N H X S+ 0 0 113 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.911 114.5 46.2 -57.8 -44.7 17.6 45.1 -12.1 282 42 D R H X S+ 0 0 159 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.932 112.6 49.2 -64.6 -47.5 19.7 42.4 -13.9 283 43 D G H X S+ 0 0 17 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.899 112.8 47.7 -59.9 -41.4 16.7 40.4 -14.9 284 44 D K H X S+ 0 0 88 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.895 110.9 51.2 -68.1 -39.2 14.9 43.5 -16.3 285 45 D K H X S+ 0 0 115 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.937 109.1 49.8 -63.2 -47.7 18.1 44.6 -18.2 286 46 D L H X S+ 0 0 82 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.909 111.4 49.9 -57.3 -42.7 18.5 41.2 -19.9 287 47 D G H ><>S+ 0 0 4 -4,-1.9 5,-3.0 -5,-0.2 3,-1.3 0.919 107.9 54.2 -61.9 -42.3 14.9 41.3 -20.9 288 48 D L H ><5S+ 0 0 118 -4,-2.4 3,-2.5 1,-0.3 -2,-0.2 0.944 103.3 54.6 -56.2 -51.2 15.4 44.8 -22.3 289 49 D D H 3<5S+ 0 0 115 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.632 112.1 46.6 -60.0 -12.3 18.2 43.6 -24.5 290 50 D D T <<5S- 0 0 109 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.201 121.0-104.1-114.8 14.1 15.9 41.0 -25.9 291 51 D G T < 5S+ 0 0 75 -3,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.743 81.2 122.1 72.1 25.0 12.9 43.2 -26.5 292 52 D K < - 0 0 115 -5,-3.0 2,-0.7 -6,-0.1 -1,-0.2 -0.902 59.2-138.5-123.7 150.4 10.9 42.0 -23.5 293 53 D L - 0 0 167 -2,-0.3 2,-0.5 -3,-0.1 -9,-0.1 -0.929 26.5-161.2-103.7 110.6 9.4 43.6 -20.4 294 54 D V - 0 0 39 -2,-0.7 2,-0.2 -10,-0.2 -6,-0.1 -0.841 13.1-129.8 -98.6 129.4 10.2 41.3 -17.5 295 55 D K > - 0 0 150 -2,-0.5 4,-1.8 1,-0.1 3,-0.2 -0.481 10.9-131.2 -76.1 144.3 8.1 41.6 -14.3 296 56 D S H > S+ 0 0 23 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.901 108.0 57.1 -60.8 -40.2 9.9 41.9 -10.9 297 57 D A H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.884 105.7 49.8 -58.5 -40.7 7.6 39.2 -9.5 298 58 D A H > S+ 0 0 49 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.915 111.2 49.3 -65.5 -42.8 8.6 36.7 -12.2 299 59 D I H X S+ 0 0 19 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.937 114.5 43.7 -62.7 -46.3 12.3 37.4 -11.6 300 60 D L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.861 112.2 54.8 -67.9 -33.8 11.9 36.9 -7.8 301 61 D G H X S+ 0 0 13 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.925 108.3 47.6 -64.3 -43.8 9.8 33.9 -8.4 302 62 D D H X S+ 0 0 111 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.849 109.6 55.5 -65.1 -34.2 12.5 32.3 -10.6 303 63 D Y H >< S+ 0 0 5 -4,-1.8 3,-1.0 1,-0.2 5,-0.5 0.940 108.7 45.1 -63.0 -49.2 15.0 33.2 -7.9 304 64 D L H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.838 107.5 60.1 -65.2 -30.6 13.1 31.3 -5.1 305 65 D A H 3< S+ 0 0 51 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.726 92.1 68.0 -69.6 -20.5 12.6 28.4 -7.6 306 66 D K T << S- 0 0 112 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.725 91.9-148.8 -70.7 -21.1 16.4 28.0 -7.8 307 67 D H < - 0 0 116 -3,-1.2 -3,-0.1 -4,-0.4 -2,-0.1 0.903 22.6-173.5 52.8 48.1 16.4 26.9 -4.1 308 68 D E - 0 0 70 -5,-0.5 -1,-0.1 1,-0.1 3,-0.1 -0.347 38.7 -82.0 -69.1 154.3 19.9 28.4 -3.4 309 69 D E - 0 0 77 1,-0.1 -1,-0.1 2,-0.1 -219,-0.1 -0.371 51.0-111.8 -60.7 124.6 21.4 27.6 0.0 310 70 D P - 0 0 10 0, 0.0 -219,-0.4 0, 0.0 -1,-0.1 -0.341 32.1-175.7 -58.9 134.0 19.9 30.0 2.6 311 71 D Q + 0 0 117 1,-0.1 2,-0.3 -221,-0.1 -2,-0.1 0.421 65.7 9.9-110.9 -3.0 22.6 32.4 3.9 312 72 D N S > S- 0 0 16 1,-0.1 4,-2.1 -171,-0.0 5,-0.2 -0.945 87.9 -86.4-161.0 176.7 20.6 34.2 6.5 313 73 D G H > S+ 0 0 11 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.838 121.3 56.6 -63.4 -34.5 17.3 34.0 8.4 314 74 D E H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.939 110.9 42.1 -63.4 -47.6 15.5 36.0 5.7 315 75 D E H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.862 113.5 53.6 -67.5 -36.2 16.4 33.5 3.0 316 76 D X H X S+ 0 0 10 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.947 110.5 46.8 -63.5 -47.7 15.7 30.6 5.3 317 77 D L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.949 112.7 49.3 -59.6 -49.7 12.2 31.9 6.0 318 78 D L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.910 110.8 49.3 -57.1 -45.4 11.5 32.6 2.3 319 79 D Q H X S+ 0 0 23 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.886 112.9 48.0 -62.7 -38.2 12.6 29.1 1.3 320 80 D E H X S+ 0 0 31 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.881 112.4 47.6 -69.4 -39.3 10.4 27.5 4.0 321 81 D L H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 4,-0.4 0.908 111.6 51.7 -66.2 -41.0 7.4 29.6 3.0 322 82 D W H >< S+ 0 0 14 -4,-2.6 3,-1.3 -5,-0.2 -2,-0.2 0.902 103.3 59.8 -61.4 -41.2 8.0 28.7 -0.6 323 83 D S H 3< S+ 0 0 60 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.623 112.0 37.4 -64.6 -17.8 8.1 25.0 0.3 324 84 D V T << S+ 0 0 32 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.3 0.297 96.1 106.4-116.8 9.5 4.6 25.0 1.7 325 85 D A < - 0 0 14 -3,-1.3 2,-0.1 -4,-0.4 -3,-0.0 -0.676 60.0-140.3 -93.4 140.6 3.0 27.4 -0.8 326 86 D D > - 0 0 79 -2,-0.3 4,-2.2 1,-0.1 3,-0.3 -0.398 43.0 -86.4 -86.8 173.2 0.6 26.3 -3.5 327 87 D E H > S+ 0 0 150 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.889 128.7 46.8 -47.4 -50.7 0.8 27.9 -7.0 328 88 D D H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.876 112.2 49.6 -62.5 -39.0 -1.4 30.9 -6.1 329 89 D E H > S+ 0 0 22 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.832 106.7 57.1 -70.3 -30.2 0.4 31.6 -2.8 330 90 D K H X S+ 0 0 70 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.902 107.4 47.4 -66.1 -40.6 3.7 31.5 -4.7 331 91 D E H X S+ 0 0 97 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.895 114.7 46.0 -66.9 -42.1 2.6 34.2 -7.0 332 92 D H H X S+ 0 0 71 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.883 111.3 51.1 -69.7 -39.3 1.3 36.4 -4.2 333 93 D L H X S+ 0 0 8 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.930 110.4 49.9 -63.6 -43.2 4.4 35.9 -2.0 334 94 D A H X S+ 0 0 4 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.889 112.5 48.1 -60.6 -39.4 6.6 36.9 -5.0 335 95 D Q H X S+ 0 0 82 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.885 110.9 49.3 -69.2 -40.9 4.4 40.0 -5.5 336 96 D L H X S+ 0 0 7 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.900 108.7 54.3 -65.1 -38.7 4.6 40.9 -1.8 337 97 D L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.806 101.7 58.6 -65.3 -29.8 8.3 40.5 -1.9 338 98 D V H X S+ 0 0 23 -4,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.913 106.1 48.5 -65.5 -41.4 8.5 43.0 -4.8 339 99 D K H X S+ 0 0 83 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.859 110.2 52.1 -66.3 -35.6 6.9 45.6 -2.6 340 100 D L H >< S+ 0 0 0 -4,-1.7 3,-0.6 2,-0.2 -2,-0.2 0.951 110.9 46.2 -64.9 -48.6 9.3 44.8 0.2 341 101 D V H 3< S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.810 116.3 46.6 -64.3 -29.2 12.3 45.2 -2.1 342 102 D D H 3< S+ 0 0 89 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.605 79.9 123.2 -88.9 -13.3 10.9 48.5 -3.5 343 103 D K << 0 0 70 -4,-1.1 -3,-0.0 -3,-0.6 -190,-0.0 -0.282 360.0 360.0 -52.0 123.7 10.0 49.9 -0.1 344 104 D Q 0 0 222 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.591 360.0 360.0-110.2 360.0 11.7 53.3 0.0