==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 27-APR-10 3MQ1 . COMPND 2 MOLECULE: MITE ALLERGEN DER P 5; . SOURCE 2 ORGANISM_SCIENTIFIC: DERMATOPHAGOIDES PTERONYSSINUS; . AUTHOR G.A.MUELLER,R.A.GOSAVI,J.M.KRAHN,L.L.EDWARDS,M.J.CUNEO,J.GLE . 599 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 515 86.0 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 . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 475 79.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 6 6 3 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 33 A S 0 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 8.5 36.1 57.7 94.6 2 34 A L > + 0 0 38 3,-0.1 4,-2.9 2,-0.1 5,-0.2 0.809 360.0 42.7-107.2 -62.0 33.6 56.6 91.9 3 35 A M H > S+ 0 0 42 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.807 116.4 51.8 -60.1 -31.1 35.4 55.4 88.8 4 36 A E H > S+ 0 0 142 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.858 110.2 48.4 -72.6 -36.4 37.9 53.5 91.1 5 37 A R H > S+ 0 0 36 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.920 112.8 47.7 -66.5 -45.2 35.0 51.9 92.9 6 38 A I H X S+ 0 0 22 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.919 106.7 57.9 -59.8 -44.7 33.4 50.9 89.6 7 39 A H H X S+ 0 0 58 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.853 108.3 47.6 -53.0 -37.7 36.7 49.6 88.4 8 40 A E H X S+ 0 0 37 -4,-1.3 4,-1.0 -3,-0.2 -1,-0.2 0.936 108.7 50.8 -71.6 -48.7 36.8 47.3 91.4 9 41 A Q H X S+ 0 0 42 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.772 107.7 57.0 -61.6 -26.5 33.2 46.0 91.0 10 42 A I H >X S+ 0 0 49 -4,-1.9 3,-1.3 1,-0.2 4,-0.8 0.942 102.5 51.2 -70.1 -48.9 34.0 45.2 87.4 11 43 A K H 3X S+ 0 0 115 -4,-1.4 4,-2.4 1,-0.3 -1,-0.2 0.732 95.6 75.8 -59.0 -22.6 37.0 42.9 88.2 12 44 A K H 3X S+ 0 0 18 -4,-1.0 4,-2.0 1,-0.2 -1,-0.3 0.881 90.3 54.3 -58.1 -40.7 34.6 41.1 90.5 13 45 A G H - 0 0 59 -2,-0.1 4,-2.5 1,-0.1 3,-0.5 -0.993 45.5-126.4-148.3 141.2 32.7 14.6 95.1 33 65 A K H > S+ 0 0 121 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.837 110.4 59.6 -54.8 -35.3 28.9 15.1 95.0 34 66 A E H > S+ 0 0 144 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.936 110.6 39.1 -58.2 -49.5 29.3 18.0 97.4 35 67 A M H > S+ 0 0 49 -3,-0.5 4,-2.9 2,-0.2 5,-0.2 0.915 113.6 53.8 -70.1 -44.9 31.5 20.0 95.0 36 68 A K H X S+ 0 0 32 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.940 109.8 47.9 -54.6 -51.3 29.6 19.0 91.8 37 69 A D H X S+ 0 0 72 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.855 112.6 50.7 -57.8 -36.9 26.3 20.2 93.3 38 70 A K H X S+ 0 0 65 -4,-1.3 4,-2.2 -5,-0.2 -2,-0.2 0.924 111.5 46.2 -67.9 -45.8 28.1 23.4 94.4 39 71 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.914 113.1 49.3 -63.2 -45.1 29.6 24.1 90.9 40 72 A V H X S+ 0 0 21 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.894 110.7 50.9 -61.5 -41.6 26.3 23.4 89.1 41 73 A A H X S+ 0 0 12 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.924 111.7 46.8 -62.4 -46.6 24.4 25.7 91.5 42 74 A E H X S+ 0 0 20 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.930 113.2 48.3 -61.6 -47.7 26.9 28.5 90.9 43 75 A M H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.908 108.4 54.4 -60.6 -43.9 26.8 28.1 87.1 44 76 A D H X S+ 0 0 61 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.879 111.0 46.8 -56.3 -39.4 23.0 28.0 87.1 45 77 A T H X S+ 0 0 12 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.936 112.1 48.1 -69.3 -48.2 23.1 31.3 89.0 46 78 A I H X S+ 0 0 38 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.904 113.1 49.4 -57.8 -43.4 25.6 32.9 86.7 47 79 A I H X S+ 0 0 13 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.911 106.8 55.3 -61.3 -43.8 23.6 31.7 83.7 48 80 A A H X S+ 0 0 24 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.857 106.7 51.6 -57.7 -36.7 20.5 33.1 85.2 49 81 A M H X S+ 0 0 65 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.899 108.5 50.2 -67.7 -41.7 22.2 36.5 85.4 50 82 A I H X S+ 0 0 19 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.917 110.4 49.7 -62.3 -44.7 23.2 36.3 81.7 51 83 A D H X S+ 0 0 73 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.899 112.8 47.9 -60.2 -42.1 19.6 35.5 80.7 52 84 A G H X S+ 0 0 16 -4,-2.0 4,-1.3 -5,-0.2 3,-0.4 0.930 112.2 47.6 -64.8 -47.5 18.4 38.4 82.8 53 85 A V H X S+ 0 0 44 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.881 104.2 61.3 -62.3 -40.3 20.9 40.9 81.4 54 86 A R H X S+ 0 0 50 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.871 101.8 54.1 -54.6 -38.6 20.2 39.8 77.8 55 87 A G H X S+ 0 0 21 -4,-1.2 4,-2.0 -3,-0.4 -1,-0.2 0.913 107.9 48.7 -61.9 -44.7 16.6 40.9 78.3 56 88 A V H X S+ 0 0 9 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.931 110.5 50.8 -60.5 -47.8 17.7 44.4 79.4 57 89 A L H X S+ 0 0 8 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.871 109.4 51.3 -58.9 -39.9 20.0 44.7 76.4 58 90 A D H X S+ 0 0 64 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.2 0.895 109.0 49.8 -65.5 -41.7 17.2 43.8 74.0 59 91 A R H < S+ 0 0 154 -4,-2.0 3,-0.5 1,-0.2 4,-0.5 0.851 109.4 52.9 -65.2 -35.0 14.9 46.4 75.5 60 92 A L H >< S+ 0 0 9 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.878 98.8 61.9 -68.9 -39.2 17.6 49.0 75.2 61 93 A M H 3< S+ 0 0 60 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.765 94.4 65.3 -58.2 -25.6 18.1 48.3 71.5 62 94 A Q T 3< S+ 0 0 158 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.805 76.6 111.3 -67.7 -30.1 14.5 49.3 70.9 63 95 A R < - 0 0 90 -3,-1.5 3,-0.4 -4,-0.5 -3,-0.0 -0.109 58.1-154.2 -47.7 139.7 15.3 52.9 72.0 64 96 A K S S+ 0 0 94 1,-0.2 -1,-0.1 0, 0.0 -3,-0.0 0.781 85.4 67.4 -90.3 -31.2 15.1 55.3 69.1 65 97 A D S S+ 0 0 117 78,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.056 76.2 122.2 -81.2 28.3 17.5 58.0 70.4 66 98 A L - 0 0 27 -3,-0.4 2,-0.1 -5,-0.1 78,-0.0 -0.775 48.7-153.1 -94.4 134.8 20.4 55.6 70.0 67 99 A D > - 0 0 49 -2,-0.4 4,-1.5 1,-0.0 5,-0.2 -0.205 38.2 -88.2 -90.9-172.8 23.4 56.5 67.8 68 100 A I H > S+ 0 0 83 2,-0.2 4,-1.5 1,-0.1 5,-0.1 0.828 125.2 50.2 -67.3 -31.9 25.8 54.2 66.0 69 101 A F H > S+ 0 0 50 2,-0.2 4,-2.5 1,-0.2 3,-0.3 0.985 110.4 44.0 -70.8 -61.3 28.0 54.0 69.0 70 102 A E H > S+ 0 0 30 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.833 114.4 53.1 -54.1 -35.3 25.5 53.1 71.7 71 103 A Q H X S+ 0 0 98 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.905 109.3 47.4 -68.1 -42.6 24.0 50.5 69.3 72 104 A Y H X S+ 0 0 45 -4,-1.5 4,-2.3 -3,-0.3 5,-0.2 0.929 108.0 54.7 -64.2 -47.4 27.3 48.8 68.7 73 105 A N H X S+ 0 0 71 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.837 108.0 51.1 -55.6 -35.5 28.2 48.6 72.4 74 106 A L H X S+ 0 0 12 -4,-1.3 4,-2.1 -5,-0.2 -1,-0.2 0.928 107.9 50.9 -68.3 -46.5 24.9 46.8 73.0 75 107 A E H X S+ 0 0 96 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.894 112.6 47.3 -57.3 -42.2 25.5 44.3 70.3 76 108 A M H X S+ 0 0 20 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.915 111.5 49.1 -67.2 -44.8 28.9 43.5 71.7 77 109 A A H X S+ 0 0 26 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.816 113.1 49.8 -63.0 -30.6 27.6 43.2 75.2 78 110 A K H X S+ 0 0 63 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.870 110.9 47.4 -75.3 -39.0 24.9 40.9 73.9 79 111 A K H X S+ 0 0 61 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.841 106.6 58.4 -71.2 -34.3 27.4 38.7 72.0 80 112 A S H X S+ 0 0 14 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.908 108.4 45.8 -60.8 -42.9 29.7 38.5 75.0 81 113 A G H X S+ 0 0 15 -4,-1.2 4,-2.8 2,-0.2 5,-0.3 0.884 110.0 54.1 -66.6 -40.2 26.8 37.0 77.0 82 114 A D H X S+ 0 0 59 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.903 113.2 43.0 -60.2 -43.2 25.9 34.6 74.1 83 115 A I H X S+ 0 0 33 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.940 114.8 49.1 -67.7 -48.7 29.5 33.4 74.1 84 116 A L H X S+ 0 0 26 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.909 114.8 44.0 -59.1 -46.2 29.9 33.1 77.9 85 117 A E H X S+ 0 0 14 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.882 110.5 55.2 -68.4 -39.2 26.6 31.2 78.3 86 118 A R H X S+ 0 0 123 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.899 114.3 40.6 -59.6 -41.8 27.3 28.9 75.4 87 119 A D H X S+ 0 0 53 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.864 112.4 55.1 -75.1 -38.5 30.6 27.9 76.9 88 120 A L H X S+ 0 0 14 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.909 108.1 48.7 -60.8 -44.1 29.2 27.8 80.5 89 121 A K H X S+ 0 0 109 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.867 110.4 51.0 -65.9 -37.8 26.5 25.3 79.4 90 122 A K H X S+ 0 0 131 -4,-1.2 4,-1.6 -5,-0.2 -1,-0.2 0.897 113.1 45.8 -64.6 -40.7 29.0 23.1 77.6 91 123 A E H X S+ 0 0 38 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.828 111.8 52.4 -70.9 -33.0 31.2 23.1 80.8 92 124 A E H X S+ 0 0 16 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.896 109.3 48.0 -70.0 -41.6 28.1 22.4 82.9 93 125 A A H X S+ 0 0 66 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.858 113.3 49.4 -66.2 -35.5 27.1 19.4 80.9 94 126 A R H < S+ 0 0 95 -4,-1.6 4,-0.4 2,-0.2 -2,-0.2 0.913 110.6 48.9 -69.5 -44.7 30.6 18.1 81.0 95 127 A V H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.912 108.7 53.0 -61.6 -44.9 30.9 18.5 84.7 96 128 A K H 3< S+ 0 0 108 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.847 103.8 57.6 -59.2 -35.1 27.6 16.7 85.4 97 129 A K T 3< S+ 0 0 78 -4,-1.2 2,-0.6 -5,-0.2 -1,-0.3 0.579 81.5 105.3 -75.6 -10.0 28.7 13.8 83.3 98 130 A I S < S- 0 0 41 -3,-1.4 2,-0.1 -4,-0.4 -62,-0.0 -0.629 75.1-126.6 -77.3 116.6 31.8 13.2 85.5 99 131 A E 0 0 178 -2,-0.6 -2,-0.1 1,-0.1 -1,-0.1 -0.347 360.0 360.0 -65.4 139.0 31.2 10.2 87.8 100 132 A V 0 0 114 -2,-0.1 -1,-0.1 -70,-0.0 -67,-0.1 0.608 360.0 360.0-117.0 360.0 31.7 10.8 91.5 101 !* 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 0.0 102 32 B N > 0 0 106 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -46.6 41.3 31.8 76.7 103 33 B S H > + 0 0 95 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.699 360.0 59.9 -74.3 -19.7 39.8 34.0 74.0 104 34 B L H > S+ 0 0 26 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.952 104.6 44.6 -71.9 -52.5 36.7 34.3 76.2 105 35 B M H > S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.860 114.1 51.6 -60.5 -37.1 38.4 35.7 79.3 106 36 B E H X S+ 0 0 135 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.895 111.0 47.6 -66.3 -40.8 40.3 38.1 77.0 107 37 B R H X S+ 0 0 48 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.903 111.9 49.1 -67.0 -42.4 37.1 39.2 75.4 108 38 B I H X S+ 0 0 31 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.868 109.6 54.4 -62.9 -36.5 35.3 39.7 78.8 109 39 B H H >X S+ 0 0 92 -4,-2.0 4,-1.4 -5,-0.2 3,-0.7 0.934 112.1 40.7 -64.4 -48.6 38.3 41.7 79.9 110 40 B E H 3X S+ 0 0 54 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.793 108.7 62.2 -70.5 -28.1 38.2 44.2 77.0 111 41 B Q H 3X S+ 0 0 47 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.742 103.7 52.2 -65.4 -22.8 34.4 44.1 77.4 112 42 B I H X S+ 0 0 37 -4,-1.3 4,-1.3 2,-0.2 3,-0.6 0.924 111.7 42.3 -72.6 -46.3 34.9 52.1 82.0 117 47 B L H 3X S+ 0 0 27 -4,-2.2 4,-3.6 1,-0.2 5,-0.3 0.827 102.4 70.1 -68.3 -32.9 35.7 54.3 79.0 118 48 B A H 3X S+ 0 0 43 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.826 103.8 42.8 -55.4 -33.4 32.0 54.9 78.3 119 49 B L H X S+ 0 0 53 -4,-1.7 4,-1.3 2,-0.2 3,-0.7 0.982 111.6 42.3 -60.5 -61.5 33.2 69.2 79.8 128 58 B H H 3X S+ 0 0 62 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.826 108.2 64.1 -55.9 -33.6 33.3 70.3 76.2 129 59 B F H >< S+ 0 0 5 -4,-2.0 3,-0.5 -5,-0.3 -1,-0.2 0.915 99.9 50.8 -57.0 -45.6 29.6 71.0 76.5 130 60 B E H << S+ 0 0 85 -4,-1.5 -1,-0.2 -3,-0.7 -2,-0.2 0.869 103.4 59.7 -61.1 -37.9 30.2 73.7 79.1 131 61 B E H 3< S+ 0 0 123 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.839 129.9 7.2 -60.0 -34.3 32.8 75.3 76.9 132 62 B K S << S- 0 0 55 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 -0.576 82.8-152.4-152.6 82.4 30.1 75.8 74.2 133 63 B P + 0 0 51 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.158 21.0 171.6 -55.7 147.1 26.5 74.9 75.2 134 64 B T > - 0 0 52 1,-0.0 4,-2.1 0, 0.0 5,-0.2 -0.960 43.3-127.3-161.5 143.2 24.1 73.8 72.5 135 65 B K H > S+ 0 0 62 -2,-0.3 4,-1.0 1,-0.2 -1,-0.0 0.624 109.9 55.6 -67.2 -12.7 20.6 72.4 72.3 136 66 B E H > S+ 0 0 159 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.917 110.2 39.3 -85.8 -50.4 22.0 69.6 70.1 137 67 B M H > S+ 0 0 34 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.805 115.3 57.0 -67.7 -29.0 24.7 68.2 72.4 138 68 B K H X S+ 0 0 26 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.918 108.6 44.3 -67.0 -45.0 22.3 68.8 75.3 139 69 B D H X S+ 0 0 118 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.855 116.2 48.8 -66.7 -35.5 19.6 66.6 73.7 140 70 B K H X S+ 0 0 63 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.966 112.5 45.4 -68.5 -54.2 22.3 64.0 72.9 141 71 B I H X S+ 0 0 5 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.887 111.2 55.2 -55.4 -41.8 23.9 63.9 76.3 142 72 B V H X S+ 0 0 29 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.921 110.8 43.9 -58.1 -46.2 20.4 63.7 77.8 143 73 B A H X S+ 0 0 13 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.872 114.6 50.8 -67.1 -38.0 19.6 60.7 75.7 144 74 B E H X S+ 0 0 18 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.955 113.0 43.0 -64.6 -52.3 23.0 59.1 76.5 145 75 B M H X S+ 0 0 1 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.792 113.3 55.7 -65.4 -28.0 22.7 59.6 80.3 146 76 B D H X S+ 0 0 30 -4,-1.6 4,-2.4 -5,-0.3 -1,-0.2 0.934 105.2 49.4 -69.3 -48.1 19.1 58.4 80.1 147 77 B T H X S+ 0 0 10 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.915 110.5 50.8 -58.8 -46.0 19.9 55.1 78.4 148 78 B I H X S+ 0 0 39 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.921 109.6 50.5 -57.3 -46.7 22.7 54.3 80.9 149 79 B I H X S+ 0 0 27 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.907 108.2 52.8 -58.4 -43.6 20.3 55.0 83.8 150 80 B A H X S+ 0 0 24 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.885 107.9 52.1 -59.6 -40.3 17.7 52.7 82.2 151 81 B M H X S+ 0 0 65 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.954 107.9 49.7 -59.9 -52.2 20.4 50.0 82.0 152 82 B I H X S+ 0 0 14 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.868 110.5 52.6 -55.3 -39.2 21.2 50.3 85.7 153 83 B D H X S+ 0 0 74 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.956 112.0 44.0 -60.2 -52.7 17.5 50.1 86.5 154 84 B G H X S+ 0 0 26 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.924 112.5 51.2 -59.8 -48.4 17.1 46.9 84.5 155 85 B V H X S+ 0 0 38 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.875 107.6 54.3 -58.4 -39.8 20.2 45.3 85.9 156 86 B R H X S+ 0 0 46 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.932 104.6 53.7 -60.0 -47.2 19.1 46.0 89.4 157 87 B G H X S+ 0 0 23 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.864 110.8 47.4 -54.5 -37.9 15.8 44.3 88.8 158 88 B V H X S+ 0 0 4 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.889 109.9 52.0 -70.0 -40.5 17.8 41.3 87.7 159 89 B L H X S+ 0 0 3 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.800 107.9 52.8 -66.3 -30.2 20.0 41.5 90.8 160 90 B D H < S+ 0 0 54 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.869 109.8 48.0 -71.5 -38.3 16.9 41.6 92.9 161 91 B R H >< S+ 0 0 150 -4,-1.4 3,-1.2 -5,-0.2 4,-0.3 0.909 108.7 53.7 -67.6 -44.0 15.6 38.4 91.3 162 92 B L H >< S+ 0 0 7 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.875 102.0 58.3 -58.8 -40.4 19.0 36.6 91.7 163 93 B M T 3< S+ 0 0 73 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.696 96.6 64.8 -64.1 -18.3 19.0 37.3 95.4 164 94 B Q T < S+ 0 0 155 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.555 79.0 110.0 -82.9 -8.6 15.7 35.5 95.7 165 95 B R < - 0 0 94 -3,-1.9 3,-0.3 -4,-0.3 -3,-0.0 -0.269 63.9-143.4 -65.5 156.6 17.4 32.2 94.6 166 96 B K S S+ 0 0 159 1,-0.2 -1,-0.1 0, 0.0 -3,-0.0 0.767 88.5 61.3 -97.0 -29.8 17.8 29.6 97.3 167 97 B D S S+ 0 0 97 -126,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.239 77.3 123.7 -86.9 15.0 21.2 27.9 96.6 168 98 B L - 0 0 18 -3,-0.3 2,-0.2 -6,-0.1 -126,-0.0 -0.464 45.5-155.1 -77.0 146.5 23.1 31.2 97.1 169 99 B D > - 0 0 33 -2,-0.1 4,-2.9 1,-0.0 5,-0.2 -0.605 36.6 -90.6-111.0 177.9 25.9 31.4 99.7 170 100 B I H > S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.874 126.1 49.4 -55.9 -41.7 27.3 34.4 101.6 171 101 B F H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.851 113.4 45.5 -69.4 -36.0 29.9 35.1 98.9 172 102 B E H > S+ 0 0 26 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.871 113.4 50.2 -73.1 -39.0 27.3 35.0 96.1 173 103 B Q H X S+ 0 0 84 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.903 110.9 49.6 -63.8 -42.6 24.9 37.2 98.2 174 104 B Y H X S+ 0 0 13 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.920 107.9 52.9 -63.9 -45.5 27.7 39.7 98.8 175 105 B N H X S+ 0 0 44 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.895 112.2 46.0 -56.4 -42.5 28.6 39.9 95.2 176 106 B L H X S+ 0 0 14 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.910 111.5 51.7 -66.6 -44.1 25.0 40.6 94.3 177 107 B E H X S+ 0 0 91 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.926 113.3 44.2 -57.9 -47.6 24.7 43.2 97.1 178 108 B M H X S+ 0 0 13 -4,-2.9 4,-3.3 2,-0.2 5,-0.3 0.896 110.8 54.3 -64.7 -41.9 27.8 45.0 95.9 179 109 B A H X S+ 0 0 24 -4,-2.3 4,-0.7 -5,-0.3 -1,-0.2 0.874 114.1 42.1 -59.6 -38.0 26.7 44.8 92.2 180 110 B K H X S+ 0 0 64 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.850 114.6 51.4 -76.5 -36.6 23.4 46.4 93.2 181 111 B K H >X S+ 0 0 53 -4,-2.5 4,-2.1 2,-0.2 3,-0.5 0.948 108.5 49.0 -66.0 -50.7 25.1 48.9 95.5 182 112 B S H 3X S+ 0 0 11 -4,-3.3 4,-1.8 1,-0.3 -1,-0.2 0.775 109.0 56.9 -60.1 -26.1 27.6 50.1 92.9 183 113 B G H 3X S+ 0 0 15 -4,-0.7 4,-2.0 -5,-0.3 -1,-0.3 0.854 105.5 49.8 -72.1 -36.5 24.6 50.5 90.6 184 114 B D H < S+ 0 0 8 -4,-2.1 3,-1.0 -5,-0.2 -2,-0.2 0.895 109.8 48.2 -69.2 -41.9 23.8 69.7 82.8 198 128 B K H 3< S+ 0 0 145 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.878 103.4 60.9 -66.9 -39.2 20.2 70.6 82.1 199 129 B K T 3< S+ 0 0 123 -4,-2.2 2,-0.5 -5,-0.2 -1,-0.3 0.119 82.1 113.0 -78.7 24.3 20.2 73.7 84.2 200 130 B I S < S- 0 0 39 -3,-1.0 2,-0.2 -5,-0.1 -3,-0.0 -0.879 78.8-111.2-101.4 124.6 23.0 75.1 82.0 201 131 B E 0 0 182 -2,-0.5 -2,-0.1 1,-0.2 -3,-0.0 -0.321 360.0 360.0 -55.1 115.1 22.2 78.1 79.8 202 132 B V 0 0 92 -2,-0.2 -1,-0.2 -4,-0.1 -67,-0.1 0.692 360.0 360.0-113.9 360.0 22.1 76.9 76.2 203 !* 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 0.0 204 33 C S > 0 0 123 0, 0.0 4,-1.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-135.9 33.9 31.7 118.1 205 34 C L H > + 0 0 23 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.876 360.0 59.1 -65.6 -39.1 37.2 33.3 117.1 206 35 C M H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.860 102.2 54.7 -59.2 -36.7 35.7 35.2 114.2 207 36 C E H > S+ 0 0 58 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.891 113.6 40.8 -63.6 -40.8 33.3 37.0 116.6 208 37 C R H X S+ 0 0 45 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.923 114.7 50.3 -73.7 -46.9 36.2 38.2 118.7 209 38 C I H X S+ 0 0 21 -4,-3.2 4,-1.6 2,-0.2 -2,-0.2 0.883 109.9 54.0 -57.5 -39.7 38.4 39.1 115.7 210 39 C H H >X S+ 0 0 69 -4,-2.4 4,-2.3 -5,-0.3 3,-0.8 0.972 110.5 41.7 -60.8 -59.0 35.6 41.0 114.2 211 40 C E H 3X S+ 0 0 103 -4,-1.7 4,-1.5 1,-0.3 -1,-0.2 0.801 110.6 60.9 -60.0 -28.4 34.8 43.3 117.2 212 41 C Q H 3X S+ 0 0 39 -4,-1.9 4,-0.6 1,-0.2 -1,-0.3 0.869 108.7 41.9 -65.4 -37.2 38.6 43.6 117.5 213 42 C I H X S+ 0 0 120 -4,-2.7 4,-1.7 1,-0.2 3,-0.9 0.708 107.0 68.1 -85.3 -22.7 37.9 70.1 117.3 230 59 C F H 3< S+ 0 0 10 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.832 94.7 57.1 -65.1 -32.5 41.6 70.9 116.8 231 60 C E T 3< S+ 0 0 104 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.672 104.3 54.7 -72.2 -17.0 40.6 73.3 114.0 232 61 C E T <4 S+ 0 0 86 -3,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.919 128.8 11.1 -79.7 -49.1 38.4 75.1 116.6 233 62 C K S < S- 0 0 70 -4,-1.7 2,-1.8 2,-0.1 -1,-0.2 -0.733 77.1-152.0-133.3 84.7 41.1 75.7 119.2 234 63 C P + 0 0 67 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 -0.344 23.3 178.5 -59.4 82.0 44.6 74.9 117.7 235 64 C T >> - 0 0 47 -2,-1.8 4,-1.8 1,-0.1 3,-1.7 -0.810 28.2-148.9 -92.8 120.0 46.4 73.9 120.9 236 65 C K H 3> S+ 0 0 79 -2,-0.6 4,-1.8 1,-0.3 5,-0.2 0.736 97.6 67.2 -57.6 -22.7 50.0 72.9 120.3 237 66 C E H 34 S+ 0 0 84 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.841 106.7 38.9 -66.3 -33.7 49.5 70.5 123.3 238 67 C M H <> S+ 0 0 58 -3,-1.7 4,-3.2 2,-0.2 5,-0.2 0.773 107.8 65.0 -85.3 -30.0 47.0 68.5 121.2 239 68 C K H X S+ 0 0 26 -4,-1.8 4,-2.3 1,-0.2 5,-0.3 0.947 102.6 46.5 -56.8 -52.3 49.1 68.8 118.1 240 69 C D H X S+ 0 0 61 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.771 115.5 50.2 -62.1 -25.8 52.0 66.8 119.5 241 70 C K H > S+ 0 0 13 -4,-0.4 4,-1.7 -5,-0.2 -2,-0.2 0.955 110.3 44.8 -77.2 -54.7 49.4 64.3 120.7 242 71 C I H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 3,-0.2 0.924 112.5 52.3 -56.0 -49.4 47.5 63.8 117.5 243 72 C V H X S+ 0 0 18 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.909 106.1 54.2 -54.4 -46.5 50.6 63.5 115.4 244 73 C A H X S+ 0 0 21 -4,-1.1 4,-1.6 -5,-0.3 -1,-0.2 0.891 108.5 49.7 -55.6 -42.3 52.0 60.8 117.7 245 74 C E H X S+ 0 0 32 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.911 110.2 49.7 -63.9 -44.0 48.9 58.8 117.2 246 75 C M H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.898 109.9 50.4 -63.5 -42.0 49.0 59.1 113.4 247 76 C D H X S+ 0 0 70 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.835 110.0 52.4 -63.8 -33.1 52.7 58.0 113.4 248 77 C T H X S+ 0 0 27 -4,-1.6 4,-1.4 -5,-0.2 -2,-0.2 0.941 110.7 45.0 -68.2 -48.7 51.7 55.0 115.5 249 78 C I H X S+ 0 0 47 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.909 115.1 48.6 -60.8 -43.9 48.9 53.9 113.2 250 79 C I H X S+ 0 0 11 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.897 108.8 52.5 -63.6 -41.9 51.2 54.4 110.2 251 80 C A H X S+ 0 0 64 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.786 111.2 49.7 -63.5 -27.1 54.0 52.5 111.8 252 81 C M H X S+ 0 0 28 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.913 109.8 48.4 -76.0 -46.6 51.4 49.7 112.4 253 82 C I H X S+ 0 0 22 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.928 109.4 53.0 -58.6 -47.5 50.2 49.7 108.8 254 83 C D H X S+ 0 0 66 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.846 110.2 49.6 -56.8 -35.1 53.8 49.6 107.5 255 84 C G H X S+ 0 0 43 -4,-0.9 4,-1.0 -5,-0.2 -1,-0.2 0.883 108.5 51.5 -71.0 -40.0 54.3 46.6 109.8 256 85 C V H >X S+ 0 0 49 -4,-2.2 4,-2.3 1,-0.2 3,-0.5 0.892 104.0 58.3 -64.1 -40.8 51.2 44.9 108.5 257 86 C R H 3X S+ 0 0 58 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.915 101.8 54.2 -54.9 -47.1 52.3 45.3 104.9 258 87 C G H 3X S+ 0 0 45 -4,-1.2 4,-1.0 1,-0.2 -1,-0.2 0.816 110.7 46.9 -58.1 -32.3 55.5 43.4 105.5 259 88 C V H < S+ 0 0 13 -4,-1.4 3,-1.3 1,-0.2 -2,-0.2 0.856 106.4 55.3 -73.6 -36.1 51.9 35.5 102.8 264 93 C M T 3< S+ 0 0 64 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.556 93.4 74.1 -72.2 -7.3 51.4 36.6 99.2 265 94 C Q T 3 S+ 0 0 58 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.2 0.702 75.3 100.2 -78.2 -20.8 54.8 34.9 98.5 266 95 C R < - 0 0 73 -3,-1.3 3,-0.3 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0.837 110.3 51.7 -56.1 -36.1 41.6 39.3 99.6 277 106 C L H X S+ 0 0 23 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.886 110.1 48.4 -69.2 -39.6 45.3 39.7 100.2 278 107 C E H X S+ 0 0 103 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.917 112.8 48.5 -65.0 -44.1 45.6 42.3 97.5 279 108 C M H X S+ 0 0 30 -4,-2.7 4,-3.3 2,-0.2 5,-0.3 0.931 111.5 49.2 -61.2 -47.9 42.5 44.2 98.8 280 109 C A H X S+ 0 0 36 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.927 115.2 43.6 -57.9 -47.8 43.9 44.2 102.4 281 110 C K H X S+ 0 0 62 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.863 115.6 49.4 -66.4 -36.8 47.2 45.5 101.2 282 111 C K H X S+ 0 0 74 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.923 109.2 50.1 -69.2 -46.1 45.6 48.0 98.9 283 112 C S H X S+ 0 0 26 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.869 111.1 50.9 -59.9 -37.5 43.2 49.3 101.5 284 113 C G H X S+ 0 0 20 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.872 109.0 50.6 -66.8 -38.4 46.2 49.7 103.8 285 114 C D H X S+ 0 0 45 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.866 112.0 48.3 -66.3 -37.2 48.1 51.6 101.1 286 115 C I H X S+ 0 0 77 -4,-2.3 4,-1.8 2,-0.2 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