==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-AUG-12 4B94 . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN KINASE TTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.LITTLER,E.VON CASTELMUR,V.DE MARCO,A.PERRAKIS . 556 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28151.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 78.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.4 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 . 14 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 337 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.2 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 3 0 0 0 0 0 2 2 4 8 4 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 -2 A G 0 0 122 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.9 23.9 53.5 -8.5 2 -1 A P - 0 0 70 0, 0.0 37,-0.0 0, 0.0 0, 0.0 -0.225 360.0-126.5 -65.7 151.9 22.3 53.3 -5.1 3 0 A G > - 0 0 15 37,-0.0 4,-2.1 1,-0.0 3,-0.2 -0.160 35.7 -85.0 -84.5-177.2 20.6 56.3 -3.5 4 62 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.801 123.8 56.1 -62.2 -33.6 21.2 57.9 -0.1 5 63 A E H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.920 110.8 44.8 -66.0 -44.1 18.7 55.6 1.9 6 64 A D H > S+ 0 0 114 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.907 115.9 47.5 -64.8 -42.6 20.6 52.4 0.6 7 65 A W H X S+ 0 0 16 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.940 112.1 49.1 -64.1 -47.7 24.0 54.1 1.4 8 66 A L H X S+ 0 0 8 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.881 108.4 53.7 -58.7 -42.4 22.9 55.2 4.9 9 67 A S H X S+ 0 0 82 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.920 112.8 43.6 -57.7 -46.8 21.6 51.7 5.7 10 68 A L H X S+ 0 0 72 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.898 114.8 50.5 -64.4 -44.6 25.1 50.2 4.8 11 69 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.891 109.6 48.2 -64.6 -43.5 26.9 53.0 6.7 12 70 A L H X S+ 0 0 55 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.868 111.0 51.9 -66.0 -35.1 24.9 52.6 9.9 13 71 A K H X S+ 0 0 140 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.878 109.4 50.1 -66.5 -38.1 25.5 48.8 9.8 14 72 A L H < S+ 0 0 31 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.897 108.4 52.4 -67.6 -39.4 29.3 49.4 9.4 15 73 A E H >< S+ 0 0 6 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.903 109.6 49.3 -59.8 -44.7 29.2 51.8 12.5 16 74 A K H >< S+ 0 0 135 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.876 112.2 48.2 -61.7 -39.2 27.5 49.0 14.5 17 75 A N T 3< S+ 0 0 107 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.339 96.7 74.8 -84.9 5.8 30.2 46.5 13.3 18 76 A S T < S+ 0 0 0 -3,-1.2 -1,-0.2 -4,-0.2 4,-0.2 -0.063 74.3 148.7-108.5 31.2 33.0 49.1 14.2 19 77 A V < + 0 0 49 -3,-0.5 2,-0.1 1,-0.2 411,-0.0 -0.951 54.6 40.6-114.5 131.5 32.6 48.5 18.0 20 78 A P S S- 0 0 53 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.443 100.1-135.5 -73.1 136.8 34.9 48.6 20.1 21 79 A L + 0 0 15 -2,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.345 30.4 170.3 -68.8 139.6 36.2 51.7 18.2 22 80 A S > - 0 0 24 -4,-0.2 4,-2.5 -2,-0.1 5,-0.2 -0.880 49.9-100.1-137.2 166.6 39.9 52.2 17.4 23 81 A D H > S+ 0 0 52 -2,-0.3 4,-2.4 455,-0.2 5,-0.2 0.901 124.3 51.3 -56.7 -43.6 41.8 54.8 15.2 24 82 A A H > S+ 0 0 29 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.915 112.9 44.4 -60.5 -46.3 42.0 52.1 12.4 25 83 A L H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.861 112.3 52.5 -68.7 -35.6 38.2 51.4 12.5 26 84 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.913 109.7 48.8 -65.5 -43.7 37.4 55.1 12.7 27 85 A N H X S+ 0 0 48 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.885 110.8 51.1 -62.7 -40.4 39.6 55.8 9.6 28 86 A K H X S+ 0 0 78 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.920 111.6 47.6 -61.9 -46.4 37.8 52.9 7.8 29 87 A L H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.921 111.7 49.0 -61.2 -48.7 34.4 54.4 8.7 30 88 A I H X S+ 0 0 6 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.899 110.3 53.0 -57.3 -44.1 35.4 57.9 7.5 31 89 A G H X S+ 0 0 3 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.877 108.0 49.4 -57.7 -44.6 36.7 56.4 4.2 32 90 A R H X S+ 0 0 55 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.896 110.1 51.2 -66.5 -38.6 33.4 54.6 3.6 33 91 A Y H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.892 107.9 53.0 -63.1 -39.4 31.4 57.9 4.2 34 92 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.876 106.5 53.2 -63.0 -38.8 33.7 59.7 1.7 35 93 A Q H X S+ 0 0 8 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.875 108.7 49.3 -63.9 -38.2 32.9 57.0 -0.9 36 94 A A H >X S+ 0 0 0 -4,-1.7 3,-0.8 2,-0.2 4,-0.6 0.939 111.5 49.0 -63.9 -47.5 29.1 57.6 -0.3 37 95 A I H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.3 -2,-0.2 0.862 109.2 52.7 -61.5 -36.4 29.7 61.4 -0.7 38 96 A E H 3< S+ 0 0 5 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.742 113.0 45.7 -68.3 -25.8 31.7 60.8 -4.0 39 97 A A H << S+ 0 0 47 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.456 101.6 72.4 -97.6 -4.6 28.7 58.7 -5.3 40 98 A L S << S- 0 0 0 -3,-0.7 -1,-0.1 -4,-0.6 5,-0.1 -0.834 73.0-144.1-120.2 97.0 25.9 61.1 -4.4 41 99 A P >> - 0 0 29 0, 0.0 3,-1.2 0, 0.0 4,-0.8 -0.329 9.7-145.3 -59.8 121.3 25.5 64.4 -6.4 42 100 A P H 3> S+ 0 0 9 0, 0.0 4,-0.8 0, 0.0 3,-0.4 0.808 94.6 65.3 -59.4 -30.3 24.3 67.1 -4.0 43 101 A D H 34 S+ 0 0 111 1,-0.2 3,-0.1 2,-0.2 306,-0.0 0.729 105.5 44.9 -63.9 -24.2 22.1 68.8 -6.7 44 102 A K H <4 S+ 0 0 142 -3,-1.2 -1,-0.2 1,-0.1 3,-0.2 0.686 121.5 37.8 -85.0 -26.5 19.9 65.7 -6.8 45 103 A Y H >< + 0 0 43 -4,-0.8 3,-1.7 -3,-0.4 -2,-0.2 0.223 67.7 116.8-119.7 15.2 19.7 65.3 -3.0 46 104 A G T 3< S+ 0 0 24 -4,-0.8 37,-0.4 1,-0.3 -1,-0.1 0.722 90.2 40.7 -54.1 -29.5 19.5 68.7 -1.3 47 105 A Q T 3 S+ 0 0 137 -3,-0.2 2,-0.6 36,-0.1 -1,-0.3 0.359 90.8 111.4 -98.1 -2.4 16.0 67.9 0.1 48 106 A N <> - 0 0 30 -3,-1.7 4,-1.9 1,-0.1 5,-0.1 -0.690 53.8-159.0 -83.4 119.7 16.9 64.3 0.9 49 107 A E H > S+ 0 0 115 -2,-0.6 4,-1.9 2,-0.2 -1,-0.1 0.836 92.5 52.5 -63.8 -39.6 17.0 63.5 4.7 50 108 A S H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.877 109.1 51.0 -66.5 -36.4 19.2 60.4 4.4 51 109 A F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.905 108.7 51.3 -66.2 -41.6 21.7 62.4 2.3 52 110 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.890 109.2 51.4 -61.0 -40.5 21.7 65.1 5.1 53 111 A R H X S+ 0 0 109 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.897 109.7 50.2 -64.7 -38.3 22.4 62.3 7.7 54 112 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.942 113.0 45.0 -63.4 -50.2 25.4 61.1 5.6 55 113 A Q H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.884 115.8 47.3 -62.5 -41.0 26.9 64.6 5.2 56 114 A V H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.906 110.6 50.3 -67.6 -47.4 26.4 65.4 9.0 57 115 A R H X S+ 0 0 17 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.899 109.6 52.5 -59.2 -42.3 27.9 62.0 10.2 58 116 A F H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.926 112.1 45.6 -57.6 -47.5 31.0 62.6 7.9 59 117 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 14,-0.2 -2,-0.2 0.881 113.4 49.2 -62.6 -42.2 31.4 66.0 9.6 60 118 A E H X S+ 0 0 51 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.870 111.4 49.1 -66.0 -38.9 30.9 64.6 13.1 61 119 A L H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 3,-0.4 0.894 110.8 50.0 -68.5 -38.8 33.4 61.8 12.5 62 120 A K H X S+ 0 0 6 -4,-2.1 4,-3.2 1,-0.2 7,-0.2 0.838 105.0 58.5 -66.6 -34.1 36.0 64.3 11.2 63 121 A A H < S+ 0 0 9 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.798 110.5 42.9 -65.5 -30.6 35.3 66.5 14.4 64 122 A I H < S+ 0 0 4 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.930 118.8 43.9 -75.2 -53.3 36.4 63.4 16.5 65 123 A Q H < S- 0 0 53 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.886 140.2 -4.5 -60.6 -47.5 39.4 62.6 14.2 66 124 A E >< - 0 0 22 -4,-3.2 3,-1.8 -5,-0.1 4,-0.4 -0.632 61.9-178.5-152.9 82.4 40.7 66.2 13.7 67 125 A P G > S+ 0 0 48 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.787 81.2 63.8 -58.4 -28.8 38.6 69.0 15.3 68 126 A D G 3 S+ 0 0 121 1,-0.2 -5,-0.1 2,-0.1 30,-0.0 0.588 112.6 35.5 -73.5 -6.1 40.9 71.8 14.1 69 127 A D G < S+ 0 0 21 -3,-1.8 3,-0.3 -7,-0.2 4,-0.2 0.273 93.8 89.4-125.9 11.5 40.0 70.9 10.4 70 128 A A X> + 0 0 0 -3,-0.9 4,-1.3 -4,-0.4 3,-1.2 0.691 61.9 84.3 -82.9 -25.2 36.3 69.8 10.8 71 129 A R H 3> S+ 0 0 81 -4,-0.4 4,-2.3 1,-0.2 3,-0.3 0.834 86.4 56.8 -46.8 -45.6 34.6 73.3 10.2 72 130 A D H 3> S+ 0 0 11 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.789 104.5 52.3 -60.4 -33.4 34.7 72.9 6.4 73 131 A Y H <> S+ 0 0 7 -3,-1.2 4,-1.9 -4,-0.2 -1,-0.2 0.831 110.3 47.5 -74.0 -30.4 32.8 69.6 6.5 74 132 A F H X S+ 0 0 4 -4,-1.3 4,-2.6 -3,-0.3 -2,-0.2 0.906 112.0 50.6 -74.4 -38.0 30.0 71.3 8.6 75 133 A Q H X S+ 0 0 73 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.913 111.0 49.0 -63.7 -43.5 29.9 74.2 6.2 76 134 A M H X S+ 0 0 8 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.906 111.6 48.5 -60.6 -47.7 29.6 71.7 3.2 77 135 A A H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.925 114.0 46.5 -60.7 -45.3 26.7 69.8 5.0 78 136 A R H < S+ 0 0 38 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.909 112.6 50.1 -64.5 -41.3 24.9 73.2 5.8 79 137 A A H < S+ 0 0 72 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.876 120.0 36.4 -62.5 -38.7 25.4 74.4 2.1 80 138 A N H < S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.747 130.1 28.3 -84.9 -28.5 24.1 71.1 0.7 81 139 A C >< + 0 0 0 -4,-2.2 3,-1.7 -5,-0.2 6,-0.2 -0.155 68.9 143.9-130.5 33.5 21.3 70.3 3.2 82 140 A K T 3 + 0 0 143 -4,-0.5 6,-0.1 -3,-0.3 -1,-0.1 0.654 62.2 72.3 -51.5 -26.6 20.2 73.7 4.6 83 141 A K T 3 S+ 0 0 77 -37,-0.4 34,-3.0 33,-0.1 2,-0.5 0.788 83.0 80.9 -59.9 -34.9 16.5 72.7 4.9 84 142 A F B X> -a 117 0A 15 -3,-1.7 3,-1.2 32,-0.2 4,-1.1 -0.713 64.5-155.4 -89.5 119.6 17.1 70.4 7.9 85 143 A A H 3> S+ 0 0 0 32,-2.3 4,-2.4 -2,-0.5 5,-0.2 0.837 94.2 63.3 -55.1 -38.7 17.4 71.9 11.4 86 144 A F H 3> S+ 0 0 49 31,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.779 98.7 55.7 -61.4 -27.6 19.5 69.0 12.6 87 145 A V H <> S+ 0 0 2 -3,-1.2 4,-1.7 -6,-0.2 -1,-0.2 0.942 110.9 43.1 -67.5 -49.2 22.2 69.9 10.1 88 146 A H H X S+ 0 0 8 -4,-1.1 4,-2.5 1,-0.2 -2,-0.2 0.859 113.9 51.8 -63.3 -39.9 22.4 73.5 11.6 89 147 A I H X S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.882 106.5 53.7 -65.9 -38.6 22.3 72.1 15.2 90 148 A S H X S+ 0 0 9 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.911 112.0 44.6 -60.6 -45.5 25.2 69.7 14.4 91 149 A F H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.925 113.6 50.2 -64.7 -45.9 27.3 72.6 13.2 92 150 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.864 109.6 51.7 -61.6 -36.0 26.2 74.7 16.3 93 151 A Q H X S+ 0 0 36 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.884 108.7 50.7 -65.4 -43.8 27.1 71.8 18.6 94 152 A F H X S+ 0 0 7 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.939 112.0 47.3 -58.9 -48.5 30.6 71.6 17.0 95 153 A E H <>S+ 0 0 1 -4,-2.3 5,-2.6 1,-0.2 3,-0.4 0.902 111.9 50.2 -60.1 -43.8 31.1 75.4 17.5 96 154 A L H ><5S+ 0 0 28 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.915 108.0 52.7 -60.2 -46.4 29.9 75.1 21.1 97 155 A S H 3<5S+ 0 0 59 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.747 107.7 52.8 -61.4 -28.0 32.3 72.2 21.8 98 156 A Q T 3<5S- 0 0 81 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.420 123.4-107.7 -85.6 -3.4 35.2 74.4 20.5 99 157 A G T < 5S+ 0 0 54 -3,-1.8 2,-1.3 -4,-0.2 3,-0.2 0.508 79.9 133.0 86.4 8.7 34.2 77.2 22.9 100 158 A N >< + 0 0 65 -5,-2.6 4,-2.1 1,-0.2 -1,-0.1 -0.608 18.3 158.9 -92.8 72.3 32.7 79.4 20.2 101 159 A V H > S+ 0 0 81 -2,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.858 71.3 53.0 -61.9 -43.1 29.4 80.2 22.0 102 160 A K H > S+ 0 0 161 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 112.0 44.7 -61.3 -47.7 28.7 83.4 19.9 103 161 A K H > S+ 0 0 66 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.882 110.4 55.6 -64.2 -39.9 29.1 81.5 16.6 104 162 A S H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.920 111.1 44.4 -58.4 -46.2 26.9 78.6 18.0 105 163 A K H X S+ 0 0 79 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.895 111.8 52.4 -65.3 -44.8 24.1 81.1 18.7 106 164 A Q H X S+ 0 0 87 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.880 108.5 51.2 -59.9 -41.0 24.5 82.9 15.3 107 165 A L H X S+ 0 0 1 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.907 113.1 44.9 -62.6 -43.9 24.2 79.5 13.5 108 166 A L H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.890 114.4 48.5 -68.0 -41.6 21.0 78.6 15.4 109 167 A Q H X S+ 0 0 96 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.887 110.7 50.8 -66.6 -39.8 19.5 82.2 14.9 110 168 A K H X S+ 0 0 69 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.892 108.6 52.5 -64.5 -39.6 20.3 82.1 11.1 111 169 A A H X>S+ 0 0 0 -4,-1.8 5,-2.6 2,-0.2 4,-0.5 0.876 111.2 46.7 -62.6 -40.8 18.6 78.6 10.8 112 170 A V H ><5S+ 0 0 54 -4,-1.7 3,-1.0 3,-0.2 -2,-0.2 0.946 114.0 48.1 -64.1 -49.7 15.4 80.1 12.5 113 171 A E H 3<5S+ 0 0 154 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.862 114.4 45.9 -58.3 -42.4 15.5 83.2 10.2 114 172 A R H 3<5S- 0 0 165 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.459 115.5-114.2 -85.7 -1.9 16.0 81.0 7.1 115 173 A G T <<5 + 0 0 51 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.799 44.3 177.6 74.4 36.6 13.2 78.5 8.1 116 174 A A < - 0 0 5 -5,-2.6 -32,-0.2 -32,-0.1 -1,-0.2 -0.420 38.6 -83.3 -67.3 143.5 15.2 75.2 8.7 117 175 A V B S+a 84 0A 71 -34,-3.0 -32,-2.3 1,-0.1 -31,-0.4 -0.873 101.3 28.5-116.3 148.3 12.7 72.5 9.8 118 176 A P >> - 0 0 70 0, 0.0 4,-0.9 0, 0.0 3,-0.6 0.497 64.8-162.0 -79.1 144.1 11.4 71.5 12.4 119 177 A L H 3> S+ 0 0 90 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.844 86.5 64.4 -54.6 -41.6 11.3 74.9 14.1 120 178 A E H 3> S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.854 97.1 55.0 -52.9 -44.0 10.8 73.2 17.6 121 179 A M H <> S+ 0 0 56 -3,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.868 109.2 48.1 -58.6 -41.0 14.2 71.4 17.4 122 180 A L H X S+ 0 0 0 -4,-0.9 4,-2.4 -3,-0.5 -1,-0.2 0.862 110.3 51.5 -68.4 -39.2 15.9 74.9 16.9 123 181 A E H X S+ 0 0 84 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.872 110.2 48.8 -66.7 -39.3 13.9 76.4 19.8 124 182 A I H X S+ 0 0 50 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.940 112.3 49.0 -63.3 -48.5 15.0 73.6 22.1 125 183 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.883 111.9 48.2 -58.4 -43.7 18.7 74.1 21.0 126 184 A L H X S+ 0 0 31 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.867 111.7 50.3 -64.8 -39.6 18.5 77.9 21.6 127 185 A R H X S+ 0 0 125 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.923 111.9 47.4 -62.7 -48.0 16.9 77.3 25.1 128 186 A N H <>S+ 0 0 18 -4,-2.5 5,-2.7 8,-0.3 -2,-0.2 0.835 111.5 50.5 -64.3 -36.3 19.7 74.8 26.0 129 187 A L H ><5S+ 0 0 12 -4,-2.0 3,-1.2 3,-0.2 -1,-0.2 0.905 112.0 47.5 -66.8 -43.0 22.4 77.2 24.8 130 188 A N H 3<5S+ 0 0 104 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.819 108.4 54.5 -67.2 -32.2 20.9 80.0 26.9 131 189 A L T 3<5S- 0 0 117 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.444 117.0-120.8 -78.8 -1.8 20.7 77.6 29.9 132 190 A Q T < 5 + 0 0 181 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.773 54.0 163.1 63.6 36.3 24.5 77.1 29.3 133 191 A K < - 0 0 101 -5,-2.7 -1,-0.2 1,-0.1 3,-0.0 -0.390 44.5-132.0 -78.0 156.9 24.3 73.3 28.7 134 192 A K S S+ 0 0 129 1,-0.1 2,-0.5 -2,-0.1 -1,-0.1 0.794 93.8 53.2 -78.8 -33.0 27.1 71.4 27.0 135 193 A Q - 0 0 72 1,-0.1 3,-0.1 -7,-0.1 -1,-0.1 -0.931 64.3-159.4-110.4 128.6 24.7 69.6 24.6 136 194 A L S S+ 0 0 0 -2,-0.5 2,-0.4 1,-0.3 -8,-0.3 0.847 90.3 25.0 -69.0 -35.0 22.2 71.5 22.4 137 195 A L S S- 0 0 48 -9,-0.1 -1,-0.3 -48,-0.1 3,-0.1 -0.999 77.2-153.2-134.1 126.6 20.1 68.3 22.1 138 196 A S - 0 0 78 -2,-0.4 2,-1.9 1,-0.1 -2,-0.0 0.143 63.0 -45.8 -78.0-160.0 20.1 65.4 24.6 139 197 A E S S- 0 0 187 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.586 85.9-177.9 -73.6 83.5 19.2 61.7 23.7 140 198 A E 0 0 125 -2,-1.9 -3,-0.0 -3,-0.1 0, 0.0 -0.775 360.0 360.0-100.2 138.7 16.1 63.0 21.6 141 199 A E 0 0 236 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.688 360.0 360.0-152.5 360.0 13.5 61.0 19.7 142 !* 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 0.0 143 -2 B G 0 0 112 0, 0.0 2,-0.2 0, 0.0 39,-0.0 0.000 360.0 360.0 360.0 135.3 24.1 66.0 41.4 144 -1 B P - 0 0 71 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.477 360.0-149.7 -64.6 150.6 25.6 66.5 44.0 145 0 B G > - 0 0 15 -2,-0.2 4,-2.1 37,-0.1 5,-0.1 -0.147 29.7 -84.1 -83.1-176.2 28.5 68.1 42.1 146 62 B P H > S+ 0 0 2 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.806 124.2 55.7 -63.4 -34.5 32.2 68.2 42.9 147 63 B E H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.919 111.0 45.0 -65.1 -44.1 32.0 71.2 45.2 148 64 B D H > S+ 0 0 111 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.908 115.9 47.0 -65.9 -41.8 29.4 69.5 47.5 149 65 B W H X S+ 0 0 30 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.941 112.6 48.7 -64.1 -48.2 31.4 66.2 47.4 150 66 B L H X S+ 0 0 9 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.884 108.8 53.9 -58.4 -42.8 34.8 68.0 48.2 151 67 B S H X S+ 0 0 79 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.917 112.7 43.4 -57.4 -46.6 33.1 69.9 51.1 152 68 B L H X S+ 0 0 70 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.898 115.1 50.2 -65.2 -44.8 31.9 66.5 52.6 153 69 B L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.894 110.3 47.5 -64.3 -43.3 35.3 64.8 51.9 154 70 B L H X S+ 0 0 68 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.870 111.3 52.4 -66.1 -36.1 37.4 67.6 53.6 155 71 B K H X S+ 0 0 140 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.876 109.8 49.1 -65.5 -39.7 35.0 67.6 56.6 156 72 B L H < S+ 0 0 33 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.905 109.6 51.3 -66.6 -41.3 35.5 63.8 56.9 157 73 B E H >< S+ 0 0 44 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.897 110.4 49.3 -60.0 -44.4 39.4 64.2 56.7 158 74 B K H >< S+ 0 0 169 -4,-2.1 3,-0.6 1,-0.3 -1,-0.2 0.871 112.7 47.5 -62.6 -39.1 39.2 66.9 59.5 159 75 B N T 3< S+ 0 0 110 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.339 98.3 72.7 -85.0 4.8 37.1 64.4 61.6 160 76 B S T < S+ 0 0 0 -3,-1.2 -1,-0.2 -4,-0.2 4,-0.2 -0.061 75.3 148.5-108.9 29.1 39.5 61.5 60.9 161 77 B V < + 0 0 114 -3,-0.6 2,-0.1 1,-0.2 3,-0.0 -0.949 55.2 42.1-113.4 129.8 42.3 62.9 63.2 162 78 B P S S- 0 0 117 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.430 100.6-137.1 -74.2 136.0 44.3 61.2 64.8 163 79 B L + 0 0 94 -2,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.371 28.4 173.4 -70.4 139.7 44.7 59.1 61.7 164 80 B S > - 0 0 55 -4,-0.2 4,-2.5 -2,-0.1 5,-0.2 -0.859 48.0-100.7-133.9 167.3 44.8 55.3 61.8 165 81 B D H > S+ 0 0 140 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.899 124.1 50.8 -56.7 -44.0 44.8 52.6 59.1 166 82 B A H > S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.905 112.9 44.6 -60.7 -46.5 41.0 52.0 59.7 167 83 B L H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.848 112.6 51.9 -68.6 -35.8 40.2 55.7 59.4 168 84 B L H X S+ 0 0 7 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.912 110.1 48.8 -66.3 -43.5 42.4 56.1 56.3 169 85 B N H X S+ 0 0 99 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.879 111.3 50.2 -62.6 -40.9 40.7 53.1 54.6 170 86 B K H X S+ 0 0 112 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.911 112.4 47.2 -63.1 -45.4 37.2 54.6 55.4 171 87 B L H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.912 111.3 49.8 -63.0 -46.4 38.3 58.0 54.0 172 88 B I H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.890 109.2 54.5 -59.8 -40.5 39.7 56.4 50.8 173 89 B G H X S+ 0 0 31 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.882 107.0 49.4 -59.7 -42.6 36.4 54.5 50.4 174 90 B R H X S+ 0 0 81 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.892 109.9 51.2 -67.0 -38.1 34.4 57.7 50.6 175 91 B Y H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.893 107.7 53.4 -64.2 -40.4 36.7 59.3 47.8 176 92 B S H X S+ 0 0 45 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.885 107.3 51.8 -60.7 -40.9 36.1 56.2 45.6 177 93 B Q H X S+ 0 0 108 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.881 109.6 49.1 -63.2 -39.9 32.3 56.8 46.0 178 94 B A H >X S+ 0 0 0 -4,-1.7 4,-0.8 2,-0.2 3,-0.6 0.931 111.6 49.1 -64.0 -48.0 32.8 60.4 44.9 179 95 B I H >< S+ 0 0 5 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.874 110.3 50.8 -61.2 -37.4 34.8 59.4 41.9 180 96 B E H 3< S+ 0 0 79 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.751 113.1 47.1 -69.2 -26.8 32.2 56.7 40.9 181 97 B A H << S+ 0 0 52 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.494 99.9 74.0 -93.3 -7.4 29.5 59.4 41.2 182 98 B L S << S- 0 0 1 -4,-0.8 -1,-0.1 -3,-0.6 5,-0.1 -0.849 73.7-143.2-116.1 96.2 31.2 62.2 39.2 183 99 B P >> - 0 0 39 0, 0.0 3,-1.3 0, 0.0 4,-0.6 -0.336 10.0-146.6 -57.4 117.0 31.4 61.7 35.3 184 100 B P H >> S+ 0 0 7 0, 0.0 3,-0.7 0, 0.0 4,-0.5 0.796 93.1 66.2 -57.1 -30.9 34.8 63.1 34.2 185 101 B D H 34 S+ 0 0 44 1,-0.2 3,-0.2 2,-0.2 261,-0.1 0.746 103.7 47.0 -63.9 -23.5 33.4 64.4 30.8 186 102 B K H <4 S+ 0 0 118 -3,-1.3 -1,-0.2 1,-0.1 3,-0.2 0.682 118.1 41.5 -83.4 -23.8 31.3 66.9 32.7 187 103 B Y H X< + 0 0 38 -3,-0.7 3,-1.6 -4,-0.6 -2,-0.2 0.190 65.8 118.6-121.5 19.6 34.1 68.1 35.0 188 104 B G T 3< S+ 0 0 29 -4,-0.5 37,-0.4 1,-0.3 -1,-0.1 0.757 90.6 37.9 -56.0 -32.2 37.4 68.5 33.0 189 105 B Q T 3 S+ 0 0 140 -3,-0.2 2,-0.6 36,-0.1 -1,-0.3 0.350 91.5 112.8-101.5 2.9 37.6 72.2 33.8 190 106 B N <> - 0 0 31 -3,-1.6 4,-1.8 1,-0.1 5,-0.1 -0.703 51.5-161.3 -85.2 119.3 36.3 71.9 37.4 191 107 B E H > S+ 0 0 115 -2,-0.6 4,-1.9 2,-0.2 -1,-0.1 0.826 91.4 53.0 -65.8 -37.0 38.9 72.7 40.1 192 108 B S H > S+ 0 0 23 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.881 108.7 51.0 -66.9 -37.2 37.0 70.9 42.9 193 109 B F H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.906 108.7 51.4 -65.3 -42.6 36.9 67.7 40.8 194 110 B A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.886 108.9 51.5 -60.4 -39.9 40.6 68.0 40.2 195 111 B R H X S+ 0 0 119 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.893 110.0 49.1 -65.1 -39.0 41.1 68.3 44.0 196 112 B I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.939 113.2 46.1 -62.8 -50.8 39.0 65.1 44.5 197 113 B Q H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 22,-0.2 0.871 116.5 45.4 -60.8 -42.4 41.0 63.1 41.9 198 114 B V H X S+ 0 0 7 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.919 112.4 49.0 -68.7 -48.1 44.4 64.3 43.2 199 115 B R H X S+ 0 0 71 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.903 109.1 53.8 -61.4 -41.6 43.6 63.7 47.0 200 116 B F H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.946 111.5 45.1 -56.1 -50.1 42.3 60.2 46.2 201 117 B A H X S+ 0 0 0 -4,-1.7 4,-1.9 14,-0.2 -2,-0.2 0.911 114.1 49.8 -60.1 -44.7 45.7 59.4 44.4 202 118 B E H X S+ 0 0 66 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.860 110.5 49.1 -63.7 -39.5 47.7 61.0 47.3 203 119 B L H X S+ 0 0 5 -4,-2.8 4,-2.2 1,-0.2 3,-0.4 0.897 111.1 49.9 -67.8 -40.1 45.8 59.0 50.0 204 120 B K H X S+ 0 0 35 -4,-2.2 4,-3.1 -5,-0.2 -2,-0.2 0.863 106.3 57.0 -62.9 -38.2 46.4 55.8 48.0 205 121 B A H < S+ 0 0 22 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.763 109.1 46.0 -64.6 -29.1 50.1 56.7 47.8 206 122 B I H < S+ 0 0 104 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.933 116.2 45.1 -75.1 -51.5 50.2 56.9 51.7 207 123 B Q H < S- 0 0 73 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.895 142.3 -11.0 -59.5 -49.8 48.3 53.6 52.1 208 124 B E >< - 0 0 84 -4,-3.1 3,-1.3 -5,-0.1 -1,-0.2 -0.659 62.4-175.3-157.3 90.4 50.3 51.6 49.4 209 125 B P G > S+ 0 0 50 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.844 83.3 61.9 -59.2 -38.9 52.7 53.6 47.1 210 126 B D G 3 S+ 0 0 94 1,-0.3 -5,-0.1 2,-0.1 251,-0.0 0.181 112.2 40.7 -74.3 18.3 53.8 50.7 44.9 211 127 B D G < S+ 0 0 19 -3,-1.3 -1,-0.3 -7,-0.1 3,-0.2 0.227 96.0 77.5-145.4 2.5 50.0 50.4 43.9 212 128 B A X> + 0 0 0 -3,-1.4 3,-1.2 -4,-0.2 4,-1.0 0.528 60.2 100.4 -98.5 -9.3 48.9 54.1 43.5 213 129 B R H 3> S+ 0 0 66 -4,-0.4 4,-1.7 1,-0.2 3,-0.5 0.800 78.8 53.7 -43.8 -48.6 50.5 55.0 40.0 214 130 B D H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.790 101.6 60.8 -63.5 -30.7 47.2 54.6 38.0 215 131 B Y H <> S+ 0 0 2 -3,-1.2 4,-1.9 2,-0.2 -14,-0.2 0.861 106.8 43.5 -67.5 -35.9 45.4 57.0 40.2 216 132 B F H X S+ 0 0 6 -4,-1.0 4,-2.5 -3,-0.5 -1,-0.2 0.864 112.8 54.6 -72.6 -37.9 47.8 59.9 39.4 217 133 B Q H X S+ 0 0 17 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.925 110.9 45.1 -60.5 -44.5 47.6 58.8 35.7 218 134 B M H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.887 111.0 52.7 -67.8 -41.2 43.8 59.1 35.8 219 135 B A H X S+ 0 0 2 -4,-1.9 4,-1.8 -22,-0.2 -2,-0.2 0.919 112.4 45.5 -62.8 -41.6 43.9 62.5 37.6 220 136 B R H X S+ 0 0 11 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.917 112.8 51.1 -67.4 -41.1 46.2 63.9 34.9 221 137 B A H < S+ 0 0 8 -4,-2.3 3,-0.2 1,-0.2 -2,-0.2 0.866 120.7 33.4 -60.7 -41.9 44.0 62.4 32.1 222 138 B N H < S+ 0 0 16 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.640 130.2 31.8 -87.5 -26.1 40.8 63.9 33.5 223 139 B C H >< + 0 0 1 -4,-1.8 3,-1.8 -5,-0.2 6,-0.2 -0.038 68.0 140.4-129.7 31.7 42.2 67.2 35.0 224 140 B K T 3< + 0 0 104 -4,-0.6 6,-0.1 1,-0.3 -1,-0.1 0.644 61.7 73.2 -50.4 -28.1 45.1 68.1 32.7 225 141 B K T 3 S+ 0 0 78 -37,-0.4 34,-2.9 33,-0.1 2,-0.5 0.795 83.9 79.0 -57.7 -35.9 44.3 71.9 32.7 226 142 B F B X> -b 259 0B 13 -3,-1.8 3,-1.2 32,-0.2 4,-1.0 -0.739 65.3-155.1 -90.9 120.0 45.5 72.3 36.4 227 143 B A H 3> S+ 0 0 0 32,-2.3 4,-2.3 -2,-0.5 5,-0.2 0.825 94.6 62.9 -55.8 -37.8 49.3 72.6 37.1 228 144 B F H 3> S+ 0 0 48 31,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.781 99.0 55.7 -62.6 -27.3 48.8 71.2 40.7 229 145 B V H <> S+ 0 0 3 -3,-1.2 4,-1.7 -6,-0.2 -1,-0.2 0.945 110.8 43.3 -67.5 -49.4 47.5 67.9 39.2 230 146 B H H X S+ 0 0 10 -4,-1.0 4,-2.5 1,-0.2 -2,-0.2 0.856 113.6 52.1 -63.2 -39.1 50.8 67.5 37.2 231 147 B I H X S+ 0 0 7 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.882 106.4 53.6 -66.5 -39.8 52.9 68.6 40.2 232 148 B S H X S+ 0 0 10 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.901 112.0 44.8 -59.1 -45.3 51.2 66.0 42.4 233 149 B F H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.920 113.8 49.9 -65.4 -44.8 52.1 63.2 39.9 234 150 B A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.869 110.3 50.8 -62.8 -36.1 55.6 64.7 39.6 235 151 B Q H X S+ 0 0 34 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.883 109.2 50.9 -66.0 -42.9 55.9 64.7 43.5 236 152 B F H X S+ 0 0 13 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.937 112.0 47.0 -59.7 -47.7 54.7 61.0 43.6 237 153 B E H <>S+ 0 0 22 -4,-2.4 5,-2.6 2,-0.2 3,-0.4 0.901 111.9 50.2 -61.0 -43.5 57.4 60.1 41.0 238 154 B L H ><5S+ 0 0 28 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.912 108.4 52.2 -60.3 -46.5 60.1 62.0 42.9 239 155 B S H 3<5S+ 0 0 76 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.757 107.8 52.9 -62.0 -27.9 59.1 60.2 46.2 240 156 B Q T 3<5S- 0 0 78 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.422 123.2-108.2 -85.4 -3.3 59.5 56.9 44.3 241 157 B G T < 5S+ 0 0 54 -3,-1.7 2,-1.3 -4,-0.2 3,-0.2 0.502 79.8 132.8 86.5 8.6 63.1 57.9 43.2 242 158 B N >< + 0 0 79 -5,-2.6 4,-2.1 1,-0.2 -1,-0.1 -0.622 18.6 159.4 -93.1 72.9 62.1 58.5 39.6 243 159 B V H > S+ 0 0 76 -2,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.862 71.5 53.1 -62.0 -42.9 63.7 61.9 39.2 244 160 B K H > S+ 0 0 158 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.923 111.8 44.8 -61.1 -48.3 63.9 61.7 35.3 245 161 B K H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.877 110.3 55.7 -63.8 -40.3 60.1 60.9 35.1 246 162 B S H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.919 111.1 44.1 -57.6 -46.8 59.3 63.7 37.7 247 163 B K H X S+ 0 0 80 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.891 112.1 52.4 -65.2 -44.5 61.2 66.3 35.4 248 164 B Q H X S+ 0 0 95 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.875 108.5 51.1 -59.8 -41.6 59.5 64.9 32.2 249 165 B L H X S+ 0 0 2 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.910 113.0 45.2 -62.4 -44.0 56.0 65.3 33.8 250 166 B L H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.885 113.9 48.7 -67.5 -42.3 56.8 69.0 34.8 251 167 B Q H X S+ 0 0 97 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.880 110.5 50.8 -65.9 -40.2 58.2 69.8 31.3 252 168 B K H X S+ 0 0 41 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.898 108.4 52.8 -64.4 -40.2 55.2 68.3 29.5 253 169 B A H X>S+ 0 0 0 -4,-1.8 5,-2.6 2,-0.2 4,-0.6 0.885 111.0 46.6 -62.1 -40.8 52.8 70.4 31.7 254 170 B V H ><5S+ 0 0 52 -4,-1.7 3,-0.9 3,-0.2 -2,-0.2 0.947 114.2 48.2 -63.8 -49.6 54.8 73.6 30.7 255 171 B E H 3<5S+ 0 0 132 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.863 114.4 45.1 -58.2 -43.3 54.7 72.5 27.0 256 172 B R H 3<5S- 0 0 107 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.501 115.6-114.1 -84.5 -3.7 50.9 71.7 27.1 257 173 B G T <<5 + 0 0 48 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.806 43.9 178.4 76.8 34.8 50.0 74.9 29.0 258 174 B A < - 0 0 5 -5,-2.6 -32,-0.2 -6,-0.1 -1,-0.2 -0.386 38.6 -82.5 -66.0 143.7 48.8 73.6 32.4 259 175 B V B S+b 226 0B 69 -34,-2.9 -32,-2.3 1,-0.1 -31,-0.4 -0.874 101.6 27.9-115.9 147.7 47.8 76.6 34.7 260 176 B P >> - 0 0 69 0, 0.0 4,-0.9 0, 0.0 3,-0.5 0.508 65.0-162.0 -78.5 144.0 49.2 78.6 36.6 261 177 B L H >> S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 3,-0.6 0.853 86.3 64.7 -55.3 -41.8 52.6 78.6 34.8 262 178 B E H 3> S+ 0 0 144 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.856 97.0 55.4 -51.7 -44.5 54.3 80.1 37.9 263 179 B M H <> S+ 0 0 52 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.868 108.7 48.2 -58.1 -41.0 53.5 77.0 40.0 264 180 B L H S+ 0 0 22 -4,-2.5 5,-2.7 8,-0.3 -2,-0.2 0.839 111.5 50.6 -64.5 -36.2 62.9 72.9 43.5 271 187 B L H ><5S+ 0 0 15 -4,-2.0 3,-1.2 3,-0.2 -1,-0.2 0.905 111.8 47.7 -66.4 -44.2 63.6 69.7 41.4 272 188 B N H 3<5S+ 0 0 119 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.824 108.5 54.1 -66.6 -32.2 66.8 71.2 40.0 273 189 B L T 3<5S- 0 0 116 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.445 116.5-121.5 -78.8 -2.0 67.8 72.3 43.6 274 190 B Q T < 5 + 0 0 177 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.784 53.2 164.4 62.9 36.8 67.3 68.6 44.5 275 191 B K < - 0 0 101 -5,-2.7 -1,-0.2 1,-0.1 3,-0.1 -0.387 44.4-131.2 -77.8 157.5 64.6 69.3 47.2 276 192 B K S S+ 0 0 181 1,-0.1 2,-0.4 -2,-0.1 -1,-0.1 0.806 95.0 49.3 -77.8 -34.4 62.4 66.5 48.5 277 193 B Q - 0 0 117 1,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.938 63.8-160.3-111.2 128.5 59.2 68.6 48.0 278 194 B L 0 0 0 -2,-0.4 -8,-0.3 -47,-0.1 -1,-0.1 0.824 360.0 360.0 -72.0 -32.4 58.4 70.4 44.7 279 195 B L 0 0 117 -9,-0.1 -1,-0.1 -48,-0.1 -2,-0.1 0.456 360.0 360.0-130.7 360.0 56.0 72.7 46.5 280 !* 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 0.0 281 -2 C G 0 0 110 0, 0.0 2,-0.2 0, 0.0 39,-0.0 0.000 360.0 360.0 360.0 133.4 43.2 44.5 -5.5 282 -1 C P - 0 0 73 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.464 360.0-148.9 -64.5 150.7 43.7 45.9 -8.1 283 0 C G > - 0 0 15 -2,-0.2 4,-2.1 37,-0.1 5,-0.1 -0.140 29.5 -84.6 -82.3-175.6 45.3 48.8 -6.3 284 62 C P H > S+ 0 0 1 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.808 124.2 56.1 -63.9 -33.4 45.5 52.5 -7.3 285 63 C E H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.919 111.1 44.5 -65.1 -44.6 48.5 52.2 -9.6 286 64 C D H > S+ 0 0 111 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.910 116.1 47.1 -65.7 -41.7 46.7 49.5 -11.7 287 65 C W H X S+ 0 0 29 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.934 112.1 49.4 -65.6 -46.8 43.5 51.5 -11.7 288 66 C L H X S+ 0 0 10 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.887 108.4 54.1 -58.5 -41.7 45.3 54.8 -12.7 289 67 C S H X S+ 0 0 80 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.918 112.7 43.1 -57.8 -46.5 47.1 53.0 -15.5 290 68 C L H X S+ 0 0 71 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.897 115.1 50.4 -65.7 -44.9 43.7 51.8 -16.9 291 69 C L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.887 109.9 47.9 -64.4 -42.7 42.1 55.3 -16.3 292 70 C L H X S+ 0 0 68 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.869 111.1 52.1 -66.2 -36.2 44.9 57.3 -18.1 293 71 C K H X S+ 0 0 146 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.880 110.0 49.3 -65.5 -39.5 44.7 54.8 -21.1 294 72 C L H < S+ 0 0 43 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.905 109.5 51.2 -66.7 -41.5 40.9 55.4 -21.3 295 73 C E H >< S+ 0 0 44 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.901 110.4 49.5 -59.5 -44.3 41.4 59.2 -21.2 296 74 C K H >< S+ 0 0 170 -4,-2.1 3,-0.6 1,-0.3 -2,-0.2 0.872 112.5 47.8 -62.4 -39.1 44.0 58.9 -24.1 297 75 C N T 3< S+ 0 0 116 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.317 97.7 73.4 -84.8 5.8 41.4 56.8 -26.0 298 76 C S T < S+ 0 0 8 -3,-1.2 -1,-0.2 -4,-0.1 4,-0.2 -0.044 74.7 147.6-109.7 29.5 38.6 59.3 -25.3 299 77 C V < + 0 0 116 -3,-0.6 2,-0.1 1,-0.2 3,-0.0 -0.949 55.2 41.6-113.7 130.4 40.0 61.9 -27.8 300 78 C P S S- 0 0 116 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.439 100.5-137.1 -73.8 136.0 38.3 63.9 -29.4 301 79 C L + 0 0 94 -2,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.375 28.5 173.1 -70.2 139.7 36.1 64.4 -26.3 302 80 C S > - 0 0 50 -4,-0.2 4,-2.5 -2,-0.1 5,-0.2 -0.862 48.2-100.6-133.8 167.4 32.3 64.6 -26.4 303 81 C D H > S+ 0 0 146 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.901 124.1 50.7 -56.2 -44.6 29.7 64.7 -23.6 304 82 C A H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 113.0 44.4 -60.5 -46.5 29.0 60.9 -24.0 305 83 C L H > S+ 0 0 62 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.836 112.6 52.1 -69.2 -35.3 32.8 60.1 -23.8 306 84 C L H X S+ 0 0 8 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.912 110.3 48.5 -66.3 -44.0 33.2 62.4 -20.8 307 85 C N H X S+ 0 0 96 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.874 111.3 50.2 -63.4 -40.4 30.3 60.8 -18.9 308 86 C K H X S+ 0 0 150 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.906 112.1 47.6 -64.0 -43.5 31.8 57.3 -19.7 309 87 C L H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.914 111.1 50.0 -64.0 -45.8 35.2 58.4 -18.3 310 88 C I H X S+ 0 0 4 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.903 109.3 54.0 -59.3 -41.7 33.6 59.9 -15.1 311 89 C G H X S+ 0 0 33 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.882 107.4 49.3 -58.9 -42.8 31.7 56.6 -14.7 312 90 C R H X S+ 0 0 82 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.895 110.0 50.9 -67.2 -37.8 35.0 54.6 -14.8 313 91 C Y H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.888 107.9 53.6 -64.2 -40.9 36.6 57.0 -12.2 314 92 C S H X S+ 0 0 43 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.877 107.1 51.9 -60.3 -40.9 33.5 56.4 -9.9 315 93 C Q H X S+ 0 0 103 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.879 109.4 49.1 -63.5 -39.5 34.1 52.6 -10.2 316 94 C A H >X S+ 0 0 0 -4,-1.7 4,-0.7 2,-0.2 3,-0.6 0.941 111.6 49.2 -64.4 -47.8 37.8 53.1 -9.2 317 95 C I H >< S+ 0 0 4 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.861 110.5 50.7 -60.6 -37.5 36.8 55.3 -6.2 318 96 C E H 3< S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.761 112.8 47.2 -70.5 -26.6 34.1 52.7 -5.1 319 97 C A H << S+ 0 0 52 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.487 100.8 72.8 -92.9 -6.7 36.8 49.9 -5.3 320 98 C L S << S- 0 0 1 -4,-0.7 -1,-0.1 -3,-0.6 5,-0.1 -0.846 74.4-142.7-118.1 96.4 39.6 51.7 -3.4 321 99 C P >> - 0 0 43 0, 0.0 3,-1.3 0, 0.0 4,-0.7 -0.338 10.4-145.7 -58.6 118.7 39.1 52.0 0.4 322 100 C P H >> S+ 0 0 6 0, 0.0 4,-0.6 0, 0.0 3,-0.6 0.798 93.7 65.6 -57.5 -30.6 40.5 55.5 1.3 323 101 C D H 34 S+ 0 0 47 1,-0.2 3,-0.2 2,-0.2 -295,-0.1 0.745 103.9 47.0 -64.8 -23.2 41.8 54.3 4.8 324 102 C K H <4 S+ 0 0 115 -3,-1.3 -1,-0.2 1,-0.1 3,-0.2 0.698 119.4 39.3 -83.1 -25.0 44.3 52.0 3.0 325 103 C Y H X< + 0 0 40 -4,-0.7 3,-1.8 -3,-0.6 -2,-0.2 0.225 67.6 117.7-120.8 18.0 45.5 54.7 0.5 326 104 C G T 3< S+ 0 0 23 -4,-0.6 37,-0.4 1,-0.3 -1,-0.1 0.749 90.9 38.4 -56.2 -30.4 45.8 58.1 2.3 327 105 C Q T 3 S+ 0 0 119 -3,-0.2 2,-0.6 36,-0.1 -1,-0.3 0.330 91.6 112.1-101.1 1.8 49.6 58.3 1.6 328 106 C N <> - 0 0 29 -3,-1.8 4,-1.9 1,-0.1 5,-0.1 -0.712 53.0-159.2 -85.3 120.3 49.3 56.7 -1.9 329 107 C E H > S+ 0 0 116 -2,-0.6 4,-1.8 2,-0.2 -1,-0.1 0.834 92.1 52.8 -65.1 -38.7 50.1 59.2 -4.8 330 108 C S H > S+ 0 0 23 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.874 109.3 50.6 -65.2 -37.2 48.3 57.2 -7.5 331 109 C F H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.901 108.5 51.7 -66.5 -42.3 45.1 57.2 -5.3 332 110 C A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.882 108.7 51.6 -60.4 -39.3 45.5 61.0 -4.8 333 111 C R H X S+ 0 0 117 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.896 110.0 49.2 -65.5 -39.4 45.7 61.4 -8.7 334 112 C I H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.942 113.4 45.8 -62.7 -50.9 42.5 59.3 -9.1 335 113 C Q H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 22,-0.2 0.870 116.2 45.8 -61.3 -41.5 40.6 61.4 -6.5 336 114 C V H X S+ 0 0 8 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.916 111.7 49.0 -69.0 -50.4 41.8 64.7 -8.0 337 115 C R H X S+ 0 0 72 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.890 108.7 55.3 -61.1 -36.4 41.1 63.9 -11.7 338 116 C F H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.928 110.3 45.2 -57.2 -50.8 37.6 62.7 -10.7 339 117 C A H X S+ 0 0 0 -4,-1.5 4,-2.2 14,-0.2 -1,-0.2 0.877 114.2 49.7 -60.0 -41.8 36.9 66.2 -9.1 340 118 C E H X S+ 0 0 63 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.883 111.5 47.5 -68.8 -38.3 38.4 67.9 -12.1 341 119 C L H X S+ 0 0 3 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.923 111.4 51.1 -68.0 -40.3 36.4 65.9 -14.6 342 120 C K H X S+ 0 0 34 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.899 107.8 53.7 -60.0 -42.5 33.2 66.6 -12.5 343 121 C A H < S+ 0 0 19 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.809 108.6 48.5 -61.9 -37.5 34.1 70.4 -12.6 344 122 C I H < S+ 0 0 102 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.949 115.4 45.8 -64.5 -50.0 34.3 70.4 -16.4 345 123 C Q H < S- 0 0 74 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.890 142.2 -11.5 -59.5 -49.6 30.9 68.5 -16.6 346 124 C E >< - 0 0 91 -4,-3.0 3,-1.2 -5,-0.1 4,-0.3 -0.688 59.7-176.8-157.8 94.1 29.2 70.8 -14.0 347 125 C P G > S+ 0 0 41 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.817 82.6 64.6 -64.7 -31.6 31.3 73.3 -11.9 348 126 C D G 3 S+ 0 0 131 1,-0.2 -5,-0.1 2,-0.1 3,-0.0 0.592 113.2 34.3 -65.9 -14.4 28.3 74.6 -9.9 349 127 C D G < S+ 0 0 30 -3,-1.2 3,-0.3 -7,-0.2 -1,-0.2 0.252 96.8 85.8-123.5 7.0 28.0 71.1 -8.4 350 128 C A X> + 0 0 0 -3,-1.0 3,-1.3 -4,-0.3 4,-0.9 0.552 55.5 95.5 -90.1 -11.9 31.6 69.9 -8.1 351 129 C R H >> S+ 0 0 87 -4,-0.3 4,-2.2 1,-0.2 3,-0.5 0.814 79.2 59.3 -48.8 -43.5 32.8 71.3 -4.7 352 130 C D H 3> S+ 0 0 6 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.765 101.3 55.3 -57.8 -34.4 32.1 68.0 -2.7 353 131 C Y H <> S+ 0 0 3 -3,-1.3 4,-1.8 2,-0.2 -14,-0.2 0.834 110.2 44.7 -70.8 -33.3 34.5 66.0 -4.9 354 132 C F H < + 0 0 0 -4,-2.1 3,-1.7 -5,-0.2 6,-0.2 -0.082 68.2 142.1-130.2 33.0 44.8 62.8 0.3 362 140 C K T 3< + 0 0 102 -4,-0.6 6,-0.1 1,-0.3 -1,-0.1 0.668 62.8 73.0 -50.4 -26.8 45.7 65.8 2.5 363 141 C K T 3 S+ 0 0 77 -37,-0.4 34,-2.9 33,-0.1 2,-0.5 0.843 83.5 78.2 -58.0 -40.3 49.4 64.9 2.4 364 142 C F B X> -c 397 0C 15 -3,-1.7 3,-1.2 32,-0.2 4,-1.0 -0.680 65.8-154.3 -87.0 120.1 49.9 65.9 -1.3 365 143 C A H 3> S+ 0 0 0 32,-2.4 4,-2.3 -2,-0.5 5,-0.2 0.834 94.8 63.3 -53.2 -40.1 50.2 69.7 -2.2 366 144 C F H 3> S+ 0 0 45 31,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.769 98.5 56.2 -61.6 -26.3 48.8 69.0 -5.7 367 145 C V H <> S+ 0 0 2 -3,-1.2 4,-1.7 -6,-0.2 -1,-0.2 0.940 110.4 43.0 -67.7 -49.0 45.5 68.0 -4.1 368 146 C H H X S+ 0 0 10 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.855 114.6 51.3 -63.7 -38.7 45.2 71.3 -2.3 369 147 C I H X S+ 0 0 8 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.904 106.2 53.6 -66.6 -41.8 46.3 73.2 -5.4 370 148 C S H X S+ 0 0 8 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.912 112.4 45.2 -58.5 -43.3 43.7 71.4 -7.6 371 149 C F H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.921 113.3 49.8 -65.1 -46.5 41.0 72.6 -5.0 372 150 C A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.860 109.5 52.0 -62.1 -35.6 42.5 76.1 -4.9 373 151 C Q H X S+ 0 0 30 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.889 108.4 50.8 -66.0 -43.2 42.4 76.2 -8.8 374 152 C F H X S+ 0 0 11 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.933 111.9 47.3 -59.2 -48.0 38.7 75.2 -8.8 375 153 C E H <>S+ 0 0 2 -4,-2.3 5,-2.6 2,-0.2 3,-0.4 0.905 112.0 50.1 -61.1 -42.6 37.9 78.0 -6.3 376 154 C L H ><5S+ 0 0 28 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.915 108.4 52.5 -60.5 -46.3 40.0 80.5 -8.4 377 155 C S H 3<5S+ 0 0 82 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.749 107.7 52.7 -61.7 -28.0 38.1 79.4 -11.6 378 156 C Q T 3<5S- 0 0 67 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.416 123.3-107.9 -85.8 -3.4 34.7 80.1 -9.8 379 157 C G T < 5S+ 0 0 53 -3,-1.8 2,-1.3 -4,-0.2 3,-0.2 0.506 79.7 133.0 86.6 9.0 36.0 83.6 -8.9 380 158 C N >< + 0 0 67 -5,-2.6 4,-2.1 1,-0.2 -1,-0.1 -0.627 18.6 159.7 -93.2 72.9 36.5 82.8 -5.2 381 159 C V H > S+ 0 0 82 -2,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.859 71.5 52.5 -61.9 -43.0 40.0 84.4 -4.9 382 160 C K H > S+ 0 0 162 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 111.9 45.2 -62.1 -46.9 39.9 84.7 -1.1 383 161 C K H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.882 109.9 55.9 -64.4 -39.9 39.0 81.0 -0.6 384 162 C S H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.918 111.0 44.2 -57.8 -46.7 41.7 80.0 -3.2 385 163 C K H X S+ 0 0 86 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.893 111.8 52.6 -65.0 -44.5 44.4 81.8 -1.0 386 164 C Q H X S+ 0 0 91 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.873 108.3 51.2 -59.9 -40.6 43.0 80.4 2.3 387 165 C L H X S+ 0 0 2 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.907 113.0 45.1 -64.0 -42.7 43.2 76.8 0.8 388 166 C L H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.890 114.2 48.6 -68.5 -41.5 46.9 77.3 -0.2 389 167 C Q H X S+ 0 0 98 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.881 110.5 51.1 -66.7 -39.7 47.8 79.0 3.2 390 168 C K H X S+ 0 0 56 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.895 108.7 52.2 -64.1 -40.3 46.1 76.1 5.1 391 169 C A H X>S+ 0 0 0 -4,-1.8 5,-2.5 2,-0.2 4,-0.5 0.880 111.2 46.9 -62.3 -40.5 48.1 73.5 3.0 392 170 C V H ><5S+ 0 0 49 -4,-1.7 3,-1.0 3,-0.2 -2,-0.2 0.950 113.8 48.4 -64.1 -49.7 51.4 75.4 3.9 393 171 C E H 3<5S+ 0 0 155 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.860 114.5 45.6 -57.3 -43.0 50.4 75.6 7.6 394 172 C R H 3<5S- 0 0 95 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.472 115.0-114.8 -84.7 -3.8 49.5 71.8 7.7 395 173 C G T <<5 + 0 0 51 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.791 43.8 178.0 74.8 36.2 52.7 70.8 5.8 396 174 C A < - 0 0 5 -5,-2.5 -32,-0.2 -6,-0.1 -1,-0.2 -0.401 38.8 -82.1 -66.4 143.5 51.3 69.4 2.5 397 175 C V B S+c 364 0C 71 -34,-2.9 -32,-2.4 1,-0.1 -31,-0.4 -0.858 101.7 28.1-116.6 148.5 54.2 68.3 0.3 398 176 C P >> - 0 0 67 0, 0.0 4,-0.9 0, 0.0 3,-0.5 0.509 64.9-161.8 -77.8 144.2 56.3 69.4 -1.7 399 177 C L H >> S+ 0 0 90 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.852 86.6 64.3 -55.4 -41.0 56.3 72.9 -0.1 400 178 C E H 3> S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.860 97.2 55.1 -52.9 -43.8 57.9 74.5 -3.3 401 179 C M H <> S+ 0 0 55 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.864 108.8 48.4 -58.9 -40.0 54.7 73.6 -5.3 402 180 C L H S+ 0 0 22 -4,-2.5 5,-2.7 8,-0.3 -2,-0.2 0.835 111.5 50.4 -64.2 -35.9 51.0 82.9 -9.2 409 187 C L H ><5S+ 0 0 12 -4,-1.9 3,-1.2 3,-0.2 -1,-0.2 0.909 111.8 47.8 -67.8 -42.7 47.8 83.8 -7.2 410 188 C N H 3<5S+ 0 0 123 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.824 108.5 54.3 -67.0 -32.2 49.4 87.0 -6.0 411 189 C L T 3<5S- 0 0 114 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.445 116.6-121.4 -78.7 -1.8 50.5 87.8 -9.6 412 190 C Q T < 5 + 0 0 180 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.780 53.2 164.5 63.1 36.2 46.8 87.4 -10.5 413 191 C K < - 0 0 102 -5,-2.7 -1,-0.2 1,-0.1 3,-0.0 -0.384 44.2-131.6 -77.6 157.1 47.4 84.5 -13.0 414 192 C K S S+ 0 0 180 1,-0.1 2,-0.4 -2,-0.1 -1,-0.1 0.807 94.0 51.2 -78.0 -34.3 44.5 82.3 -14.2 415 193 C Q - 0 0 116 1,-0.1 -1,-0.1 -7,-0.1 -2,-0.1 -0.930 64.7-157.9-110.7 130.3 46.5 79.1 -13.6 416 194 C L 0 0 0 -2,-0.4 -8,-0.3 -47,-0.1 -1,-0.1 0.830 360.0 360.0 -71.6 -33.2 48.2 78.3 -10.2 417 195 C L 0 0 118 -9,-0.1 -1,-0.1 -48,-0.1 -2,-0.1 0.469 360.0 360.0-130.1 360.0 50.6 75.9 -11.9 418 !* 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 0.0 419 -2 D G 0 0 112 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-135.5 33.9 46.8 44.3 420 -1 D P - 0 0 73 0, 0.0 37,-0.0 0, 0.0 0, 0.0 -0.174 360.0-117.1 -60.0 155.1 33.3 44.7 41.1 421 0 D G > - 0 0 17 37,-0.1 4,-2.1 1,-0.0 5,-0.1 -0.150 35.3 -86.4 -82.9-177.0 36.3 43.0 39.4 422 62 D P H > S+ 0 0 1 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.804 123.5 55.8 -64.3 -33.5 37.7 43.6 35.8 423 63 D E H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.924 111.0 45.3 -65.4 -44.5 35.3 41.1 34.1 424 64 D D H > S+ 0 0 115 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.910 115.6 47.0 -64.2 -42.8 32.2 42.9 35.5 425 65 D W H X S+ 0 0 14 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.931 112.2 49.3 -64.0 -48.0 33.7 46.4 34.6 426 66 D L H X S+ 0 0 10 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.889 108.7 53.6 -58.5 -41.4 34.7 45.3 31.0 427 67 D S H X S+ 0 0 81 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.922 112.5 43.9 -59.1 -45.8 31.2 43.8 30.5 428 68 D L H X S+ 0 0 73 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.896 114.8 50.4 -65.6 -44.5 29.6 47.2 31.5 429 69 D L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.906 110.5 47.0 -63.5 -43.7 32.2 49.2 29.3 430 70 D L H X S+ 0 0 71 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.880 112.5 51.5 -65.9 -36.4 31.6 47.1 26.2 431 71 D K H X S+ 0 0 139 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.896 108.3 51.0 -65.9 -41.8 27.8 47.5 26.7 432 72 D L H < S+ 0 0 33 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.907 110.4 49.8 -62.2 -41.7 28.2 51.3 27.0 433 73 D E H >< S+ 0 0 7 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.948 109.5 50.7 -59.9 -54.5 30.3 51.4 23.7 434 74 D K H >< S+ 0 0 134 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.859 113.7 45.5 -52.2 -40.2 27.6 49.3 21.8 435 75 D N T 3< S+ 0 0 106 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.435 100.4 69.5 -86.5 -0.1 24.9 51.7 23.1 436 76 D S T < S+ 0 0 2 -3,-1.8 -1,-0.2 -4,-0.3 4,-0.2 -0.151 79.7 150.8-103.8 30.1 27.1 54.8 22.2 437 77 D V < + 0 0 49 -3,-0.6 2,-0.1 1,-0.2 -421,-0.1 -0.957 53.1 44.0-112.0 129.6 26.6 54.1 18.4 438 78 D P S S- 0 0 56 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.425 100.2-136.8 -73.9 136.6 26.6 56.3 16.2 439 79 D L + 0 0 16 -2,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.377 27.4 176.1 -69.4 139.1 29.7 57.8 17.9 440 80 D S > - 0 0 30 -4,-0.2 4,-2.4 -2,-0.1 5,-0.2 -0.849 47.0-101.4-131.1 167.2 30.1 61.5 18.4 441 81 D D H > S+ 0 0 50 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.905 124.1 51.5 -56.1 -43.8 32.7 63.6 20.3 442 82 D A H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 112.4 44.7 -61.0 -46.2 30.3 64.0 23.3 443 83 D L H > S+ 0 0 52 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.834 111.9 52.9 -68.4 -35.0 29.7 60.2 23.4 444 84 D L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.914 109.9 48.3 -65.8 -44.7 33.5 59.4 23.0 445 85 D N H X S+ 0 0 47 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.890 111.6 50.1 -62.3 -40.9 34.3 61.8 26.0 446 86 D K H X S+ 0 0 85 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.920 111.7 48.2 -63.3 -45.2 31.6 60.1 28.1 447 87 D L H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.908 110.6 50.4 -61.9 -45.9 33.0 56.6 27.2 448 88 D I H X S+ 0 0 5 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.898 109.5 52.7 -59.7 -42.4 36.6 57.7 28.1 449 89 D G H X S+ 0 0 3 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.887 107.7 50.1 -58.9 -44.0 35.4 59.1 31.4 450 90 D R H X S+ 0 0 56 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.895 109.4 51.6 -64.5 -39.6 33.7 55.7 32.2 451 91 D Y H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.891 107.9 52.4 -61.8 -41.1 37.0 53.8 31.4 452 92 D S H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.875 106.7 53.3 -62.8 -38.0 38.9 56.2 33.8 453 93 D Q H X S+ 0 0 9 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.869 108.4 49.7 -64.7 -37.6 36.4 55.4 36.5 454 94 D A H >X S+ 0 0 0 -4,-1.7 3,-0.8 2,-0.2 4,-0.5 0.939 111.3 48.8 -63.2 -48.0 37.1 51.6 36.0 455 95 D I H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.3 -2,-0.2 0.873 109.0 52.9 -61.4 -36.4 40.9 52.2 36.2 456 96 D E H 3< S+ 0 0 6 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.736 112.8 46.1 -67.2 -27.2 40.3 54.3 39.5 457 97 D A H << S+ 0 0 39 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.402 99.8 74.7 -97.6 -1.5 38.4 51.3 40.9 458 98 D L S << S- 0 0 0 -3,-0.8 -1,-0.1 -4,-0.5 5,-0.1 -0.823 73.7-141.6-121.0 97.0 40.8 48.5 40.0 459 99 D P > - 0 0 35 0, 0.0 4,-0.9 0, 0.0 3,-0.2 -0.289 15.1-145.3 -56.5 122.3 44.1 48.2 42.0 460 100 D P T 4 S+ 0 0 1 0, 0.0 4,-0.3 0, 0.0 -249,-0.1 0.774 88.7 58.9 -65.8 -34.0 46.8 47.2 39.4 461 101 D D T >4 S+ 0 0 72 1,-0.2 3,-1.1 2,-0.2 4,-0.2 0.937 106.2 50.4 -61.0 -45.0 49.1 44.9 41.5 462 102 D K T 34 S+ 0 0 157 1,-0.2 3,-0.3 -3,-0.2 -1,-0.2 0.794 116.9 41.7 -58.8 -35.7 46.2 42.5 42.2 463 103 D Y T >< S+ 0 0 26 -4,-0.9 3,-1.8 1,-0.2 -1,-0.2 0.194 72.2 116.6-108.4 19.5 45.2 42.4 38.4 464 104 D G T < S+ 0 0 22 -3,-1.1 37,-0.4 -4,-0.3 -1,-0.2 0.758 87.9 37.6 -57.5 -30.9 48.6 42.1 36.6 465 105 D Q T 3 S+ 0 0 148 -3,-0.3 2,-0.6 -4,-0.2 -1,-0.3 0.307 91.4 114.0-103.3 6.7 47.8 38.7 35.2 466 106 D N <> - 0 0 30 -3,-1.8 4,-1.9 1,-0.1 5,-0.1 -0.719 52.3-159.2 -87.9 119.6 44.1 39.5 34.6 467 107 D E H > S+ 0 0 96 -2,-0.6 4,-1.9 2,-0.2 -1,-0.1 0.825 91.8 52.4 -64.4 -38.9 43.2 39.6 30.8 468 108 D S H > S+ 0 0 8 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.873 109.2 51.0 -68.3 -36.0 40.0 41.7 31.3 469 109 D F H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.908 109.4 50.5 -65.3 -41.9 42.1 44.3 33.2 470 110 D A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.886 109.8 51.1 -60.7 -41.2 44.6 44.3 30.3 471 111 D R H X S+ 0 0 100 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.885 108.0 52.7 -66.4 -37.4 41.7 44.8 27.9 472 112 D I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.933 113.2 42.9 -62.3 -48.1 40.4 47.8 30.0 473 113 D Q H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.893 115.0 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-3.8 -61.4 -45.4 40.9 61.8 21.2 484 124 D E >< + 0 0 26 -4,-3.4 3,-1.7 -5,-0.1 4,-0.3 -0.623 62.8 180.0-153.5 83.9 44.6 63.1 21.5 485 125 D P G > S+ 0 0 46 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.810 80.8 61.2 -61.3 -32.0 47.3 61.0 19.8 486 126 D D G 3 S+ 0 0 120 1,-0.2 -5,-0.1 2,-0.1 30,-0.0 0.531 114.0 37.3 -75.0 -1.1 50.3 63.3 20.8 487 127 D D G < S+ 0 0 28 -3,-1.7 3,-0.3 -7,-0.2 -1,-0.2 0.259 94.2 86.6-126.1 3.8 49.4 62.5 24.5 488 128 D A X> + 0 0 0 -3,-1.0 4,-1.3 -4,-0.3 3,-1.1 0.677 63.7 84.1 -81.8 -24.0 48.4 58.8 24.2 489 129 D R H 3> S+ 0 0 88 -4,-0.4 4,-2.1 1,-0.2 3,-0.2 0.851 85.7 57.7 -46.2 -48.0 51.9 57.1 24.5 490 130 D D H 3> S+ 0 0 16 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.791 104.1 52.5 -57.3 -32.7 51.8 57.2 28.4 491 131 D Y H <> S+ 0 0 7 -3,-1.1 4,-2.2 -4,-0.2 -1,-0.2 0.872 108.5 48.6 -75.2 -35.7 48.6 55.2 28.5 492 132 D F H X S+ 0 0 5 -4,-1.3 4,-2.4 -3,-0.2 -2,-0.2 0.880 113.3 49.1 -68.0 -37.6 50.0 52.4 26.3 493 133 D Q H X S+ 0 0 49 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.872 108.3 52.7 -68.1 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63.4-158.6-112.1 128.4 48.1 46.9 10.5 554 194 D L S S+ 0 0 0 -2,-0.5 2,-0.3 1,-0.3 -8,-0.3 0.848 94.8 18.3 -67.0 -34.9 50.3 44.6 12.6 555 195 D L S S- 0 0 35 -3,-0.1 -1,-0.3 -9,-0.1 3,-0.1 -0.995 79.1-152.6-137.3 129.7 47.1 42.4 13.0 556 196 D S - 0 0 86 -2,-0.3 2,-0.6 -3,-0.2 -2,-0.0 0.071 56.8 -50.9 -80.4-163.4 44.0 42.6 10.7 557 197 D E S S+ 0 0 192 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.699 87.6 152.0 -74.9 115.1 40.4 41.6 11.8 558 198 D E 0 0 116 -2,-0.6 -3,-0.0 -3,-0.1 0, 0.0 -0.959 360.0 360.0-147.3 165.9 41.1 38.1 13.3 559 199 D E 0 0 230 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.095 360.0 360.0-152.7 360.0 40.1 35.3 15.8