==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 20-AUG-99 1CUN . COMPND 2 MOLECULE: PROTEIN (ALPHA SPECTRIN); . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR V.L.GRUM,D.LI,R.I.MACDONALD,A.MONDRAGON . 639 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37709.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 558 87.3 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 . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 518 81.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 1 0 0 1 0 2 1 0 0 0 0 0 0 0 11 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 7 A M > 0 0 116 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -75.1 93.2 34.3 66.6 2 8 A V H > + 0 0 8 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.822 360.0 53.8 -73.7 -29.3 92.0 30.7 66.7 3 9 A H H > S+ 0 0 13 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.933 111.5 42.6 -67.7 -46.0 90.7 31.5 70.2 4 10 A Q H > S+ 0 0 25 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.902 110.0 59.2 -67.3 -38.8 88.7 34.5 69.0 5 11 A F H X S+ 0 0 6 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.928 109.0 43.2 -53.9 -48.4 87.5 32.4 66.0 6 12 A F H X S+ 0 0 23 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.851 112.3 52.4 -71.0 -33.3 85.9 29.8 68.3 7 13 A R H X S+ 0 0 39 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.922 113.1 45.4 -66.5 -41.5 84.4 32.4 70.5 8 14 A D H X S+ 0 0 62 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.920 112.8 49.8 -67.2 -43.3 82.8 34.1 67.5 9 15 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.938 111.9 48.0 -62.0 -44.2 81.6 30.9 66.0 10 16 A D H X S+ 0 0 73 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.914 111.9 50.0 -63.2 -41.6 80.1 29.8 69.3 11 17 A D H X S+ 0 0 101 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.926 112.5 46.3 -63.1 -45.0 78.4 33.2 69.8 12 18 A E H X S+ 0 0 29 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.916 110.7 53.0 -65.0 -40.4 76.9 33.1 66.2 13 19 A E H X S+ 0 0 28 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.851 107.3 51.9 -62.9 -33.7 75.7 29.5 66.6 14 20 A S H X S+ 0 0 78 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.928 111.6 47.2 -65.1 -45.0 73.9 30.5 69.9 15 21 A W H X S+ 0 0 28 -4,-1.9 4,-2.4 2,-0.2 3,-0.2 0.945 111.2 51.2 -59.7 -50.0 72.2 33.3 68.0 16 22 A I H X S+ 0 0 2 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.904 107.7 52.2 -54.0 -46.9 71.3 31.0 65.1 17 23 A K H X S+ 0 0 139 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.870 110.5 49.0 -59.4 -37.5 69.8 28.4 67.4 18 24 A E H X S+ 0 0 131 -4,-1.7 4,-1.4 -3,-0.2 -1,-0.2 0.885 112.5 46.4 -70.5 -40.6 67.6 31.2 69.0 19 25 A K H X S+ 0 0 20 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.848 106.0 61.5 -69.9 -33.0 66.5 32.5 65.6 20 26 A K H < S+ 0 0 59 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.2 0.887 104.5 47.2 -60.4 -40.8 65.8 28.9 64.5 21 27 A L H >< S+ 0 0 101 -4,-1.3 3,-0.8 1,-0.2 -1,-0.2 0.874 110.0 54.0 -70.8 -34.4 63.2 28.5 67.2 22 28 A L H >< S+ 0 0 93 -4,-1.4 3,-0.8 1,-0.2 -2,-0.2 0.859 109.7 46.5 -66.5 -35.5 61.6 31.9 66.3 23 29 A V T 3< S+ 0 0 8 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.475 98.7 73.2 -85.2 -0.8 61.2 30.8 62.7 24 30 A S T < + 0 0 57 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.448 68.9 122.6 -89.7 -2.0 59.8 27.5 63.8 25 31 A S < - 0 0 45 -3,-0.8 -3,-0.0 -4,-0.2 -4,-0.0 -0.331 49.8-161.0 -60.2 138.9 56.6 29.2 64.8 26 32 A E + 0 0 161 2,-0.0 2,-0.7 0, 0.0 -1,-0.1 -0.010 49.9 124.9-110.9 28.2 53.5 27.8 63.1 27 33 A D + 0 0 85 1,-0.1 -2,-0.1 11,-0.0 3,-0.1 -0.798 25.7 166.8 -89.0 114.7 51.4 30.8 63.8 28 34 A Y - 0 0 50 -2,-0.7 -1,-0.1 1,-0.2 10,-0.1 0.329 51.4-100.2-110.4 5.9 50.0 32.1 60.5 29 35 A G - 0 0 20 1,-0.1 -1,-0.2 5,-0.1 3,-0.1 0.143 14.4-113.0 92.5 152.5 47.4 34.5 61.9 30 36 A R S S+ 0 0 233 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.614 90.0 1.1 -95.7 -19.4 43.7 34.3 62.4 31 37 A D S > S- 0 0 86 1,-0.1 4,-2.5 -3,-0.0 5,-0.3 -0.926 89.3 -76.8-156.4 179.3 42.6 37.0 59.9 32 38 A L H > S+ 0 0 17 77,-0.4 4,-2.5 -2,-0.3 5,-0.2 0.908 126.8 45.1 -53.4 -52.8 43.9 39.4 57.2 33 39 A T H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 112.6 54.6 -60.5 -41.8 45.2 42.0 59.6 34 40 A G H > S+ 0 0 18 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.902 110.9 42.8 -57.0 -47.6 46.8 39.3 61.7 35 41 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.888 111.4 55.5 -67.7 -40.3 48.7 37.8 58.8 36 42 A Q H X S+ 0 0 61 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.893 108.6 48.7 -59.1 -38.9 49.7 41.2 57.6 37 43 A N H X S+ 0 0 97 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.905 110.2 51.1 -68.0 -40.1 51.2 41.9 61.0 38 44 A L H X S+ 0 0 22 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.845 107.7 52.5 -66.3 -33.6 53.1 38.6 61.0 39 45 A R H X S+ 0 0 52 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.895 108.5 50.2 -69.5 -38.8 54.6 39.3 57.6 40 46 A K H X S+ 0 0 137 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.945 113.5 47.3 -61.4 -45.7 55.9 42.7 58.8 41 47 A K H X S+ 0 0 127 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.882 110.7 50.6 -62.6 -40.9 57.4 40.9 61.8 42 48 A H H X S+ 0 0 13 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.896 107.2 54.7 -65.9 -37.8 58.9 38.2 59.6 43 49 A K H X S+ 0 0 113 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.828 105.3 53.1 -65.3 -30.2 60.5 40.9 57.3 44 50 A R H X S+ 0 0 148 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.866 108.8 50.1 -71.3 -34.8 62.1 42.4 60.4 45 51 A L H X S+ 0 0 20 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.900 107.1 53.5 -68.0 -40.0 63.6 39.0 61.2 46 52 A E H X S+ 0 0 81 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.849 107.6 51.7 -63.0 -32.2 64.9 38.6 57.6 47 53 A A H X S+ 0 0 61 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.861 107.3 53.1 -71.9 -34.1 66.7 42.0 58.1 48 54 A E H X S+ 0 0 73 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.903 108.2 49.7 -66.8 -38.7 68.2 40.7 61.3 49 55 A L H >X S+ 0 0 11 -4,-2.2 4,-0.9 1,-0.2 3,-0.7 0.933 111.1 49.7 -62.9 -44.9 69.5 37.6 59.4 50 56 A A H 3< S+ 0 0 49 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.829 105.7 57.7 -61.7 -33.6 71.0 39.9 56.8 51 57 A A H 3< S+ 0 0 68 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.782 109.2 44.3 -68.6 -28.2 72.6 42.0 59.5 52 58 A H H S+ 0 0 81 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.893 111.0 47.8 -57.6 -43.3 78.9 39.7 57.5 55 61 A A H > S+ 0 0 37 -4,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.875 112.7 50.8 -65.4 -36.2 79.8 38.3 61.0 56 62 A I H X S+ 0 0 3 -4,-2.4 4,-1.7 1,-0.2 3,-0.3 0.938 110.8 47.5 -64.6 -48.8 78.9 34.8 59.7 57 63 A Q H X S+ 0 0 96 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.786 106.0 59.1 -63.8 -30.1 81.1 35.2 56.6 58 64 A S H X S+ 0 0 67 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.881 105.6 48.9 -66.8 -36.8 84.0 36.5 58.7 59 65 A V H X S+ 0 0 5 -4,-1.3 4,-2.4 -3,-0.3 -2,-0.2 0.879 112.5 47.9 -68.7 -39.5 84.0 33.3 60.7 60 66 A L H X S+ 0 0 43 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.925 113.0 47.9 -66.9 -44.8 83.9 31.3 57.4 61 67 A D H X S+ 0 0 88 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.883 114.1 46.4 -64.6 -38.5 86.8 33.4 56.0 62 68 A T H X S+ 0 0 47 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.896 111.5 52.6 -69.9 -38.2 88.8 33.0 59.2 63 69 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.890 108.6 50.3 -63.3 -38.6 88.1 29.3 59.2 64 70 A K H X S+ 0 0 128 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.911 110.1 49.0 -66.9 -42.6 89.3 29.0 55.7 65 71 A K H X S+ 0 0 117 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.894 110.7 51.0 -64.2 -38.8 92.5 30.8 56.4 66 72 A L H <>S+ 0 0 6 -4,-2.3 5,-2.1 1,-0.2 -1,-0.2 0.909 113.3 45.6 -63.9 -41.2 93.1 28.6 59.5 67 73 A S H ><5S+ 0 0 12 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.880 112.1 49.8 -68.8 -40.9 92.6 25.5 57.4 68 74 A D H 3<5S+ 0 0 92 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.681 107.1 56.3 -72.8 -17.0 94.8 26.6 54.5 69 75 A D T 3<5S- 0 0 95 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.363 110.6-124.5 -93.0 3.6 97.5 27.5 57.0 70 76 A N T < 5 - 0 0 108 -3,-1.3 -3,-0.2 1,-0.1 4,-0.1 0.853 37.6-168.8 54.5 39.8 97.4 23.9 58.3 71 77 A T > < - 0 0 23 -5,-2.1 3,-1.3 -6,-0.1 2,-0.3 -0.258 32.5-100.1 -55.7 142.0 96.8 25.0 61.8 72 78 A I T 3 S+ 0 0 78 1,-0.3 -1,-0.1 2,-0.1 303,-0.0 -0.549 116.8 40.4 -68.3 128.5 97.2 22.2 64.3 73 79 A G T >> S+ 0 0 15 -2,-0.3 4,-2.2 -3,-0.1 3,-0.5 0.458 75.6 146.2 105.7 9.8 93.6 21.0 65.1 74 80 A K H <> + 0 0 67 -3,-1.3 4,-2.6 1,-0.2 5,-0.2 0.801 65.6 53.2 -46.2 -41.7 92.7 21.5 61.4 75 81 A E H 3> S+ 0 0 113 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 108.4 47.7 -68.0 -42.4 90.3 18.6 61.5 76 82 A E H <> S+ 0 0 85 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.890 112.4 52.3 -64.6 -37.2 88.3 19.8 64.4 77 83 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.953 109.9 47.0 -62.3 -50.5 88.2 23.2 62.7 78 84 A Q H X S+ 0 0 75 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.890 113.2 48.3 -60.1 -42.0 86.9 21.8 59.4 79 85 A Q H X S+ 0 0 127 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.903 112.6 48.6 -66.7 -40.6 84.2 19.7 61.2 80 86 A R H X S+ 0 0 46 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.911 110.6 51.7 -64.6 -41.5 83.1 22.7 63.2 81 87 A L H X S+ 0 0 26 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.877 110.2 48.3 -61.3 -39.9 83.0 24.9 60.1 82 88 A A H X S+ 0 0 64 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.834 112.8 47.6 -71.2 -33.0 80.8 22.3 58.3 83 89 A Q H X S+ 0 0 101 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.907 113.1 50.2 -71.8 -38.7 78.4 22.1 61.3 84 90 A F H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.943 110.8 47.2 -61.4 -53.0 78.3 25.9 61.4 85 91 A V H X S+ 0 0 43 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.890 111.5 53.6 -55.8 -41.1 77.6 26.3 57.7 86 92 A D H X S+ 0 0 102 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.901 107.6 48.2 -62.6 -45.4 74.9 23.6 58.2 87 93 A H H X S+ 0 0 60 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.890 114.4 47.9 -62.9 -39.1 73.2 25.4 61.0 88 94 A W H X S+ 0 0 17 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.939 111.9 47.3 -68.1 -47.8 73.2 28.6 59.0 89 95 A K H X S+ 0 0 132 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.927 112.7 51.5 -59.4 -44.5 71.8 27.0 55.8 90 96 A E H X S+ 0 0 65 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.912 109.2 49.2 -58.3 -46.8 69.1 25.4 57.9 91 97 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.955 111.8 49.0 -58.5 -50.3 68.1 28.6 59.5 92 98 A K H X S+ 0 0 84 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.857 111.7 49.6 -58.0 -37.2 68.0 30.4 56.1 93 99 A Q H X S+ 0 0 111 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.901 111.9 47.4 -69.1 -44.1 65.8 27.5 54.7 94 100 A L H X S+ 0 0 35 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.928 112.4 49.7 -64.0 -44.3 63.4 27.6 57.6 95 101 A A H X S+ 0 0 3 -4,-3.0 4,-2.1 -5,-0.2 -2,-0.2 0.905 112.3 47.3 -61.8 -41.0 63.1 31.4 57.4 96 102 A A H X S+ 0 0 52 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.923 112.1 52.0 -65.4 -41.6 62.4 31.2 53.7 97 103 A A H X S+ 0 0 45 -4,-2.5 4,-2.6 2,-0.2 3,-0.2 0.944 110.3 45.5 -59.4 -52.7 59.9 28.4 54.3 98 104 A R H X S+ 0 0 21 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.907 109.8 56.3 -59.9 -39.5 58.0 30.4 56.9 99 105 A G H X S+ 0 0 4 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.889 110.4 45.7 -58.1 -37.9 58.0 33.4 54.7 100 106 A Q H X S+ 0 0 122 -4,-1.8 4,-1.9 -3,-0.2 -2,-0.2 0.899 110.2 51.6 -72.3 -43.4 56.4 31.3 52.0 101 107 A R H X S+ 0 0 56 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.854 108.9 52.9 -62.9 -32.8 53.8 29.8 54.3 102 108 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.819 106.2 52.4 -70.9 -31.7 52.9 33.4 55.4 103 109 A E H X S+ 0 0 79 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.875 110.2 48.4 -70.1 -37.1 52.4 34.4 51.8 104 110 A E H X S+ 0 0 27 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.927 111.1 50.4 -65.9 -45.9 50.1 31.5 51.4 105 111 A S H X S+ 0 0 5 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.875 108.0 53.9 -59.7 -37.2 48.2 32.5 54.6 106 112 A L H X S+ 0 0 26 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.906 108.7 47.6 -63.3 -45.1 48.0 36.0 53.2 107 113 A E H X S+ 0 0 94 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.913 113.9 49.1 -62.1 -43.0 46.3 34.9 50.0 108 114 A Y H X S+ 0 0 19 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.904 111.5 46.5 -64.8 -43.2 43.9 32.7 52.0 109 115 A Q H X S+ 0 0 20 -4,-2.7 4,-2.5 2,-0.2 -77,-0.4 0.807 109.2 55.9 -71.8 -27.7 42.9 35.4 54.5 110 116 A Q H X S+ 0 0 48 -4,-1.9 4,-3.0 -5,-0.2 -2,-0.2 0.941 109.4 47.0 -65.8 -44.8 42.4 37.8 51.6 111 117 A F H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.939 112.5 49.3 -60.1 -47.6 39.9 35.3 50.0 112 118 A V H X S+ 0 0 35 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.937 114.3 46.2 -59.0 -42.4 38.2 34.8 53.4 113 119 A A H X S+ 0 0 26 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.902 111.6 51.1 -67.1 -39.5 38.0 38.7 53.8 114 120 A N H X S+ 0 0 10 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567 145 C A H > S+ 0 0 64 2,-0.2 4,-0.7 3,-0.1 -1,-0.2 0.773 107.4 50.3 -85.1 -29.4 98.0 106.4 84.4 568 146 C A H > S+ 0 0 28 2,-0.2 4,-2.0 1,-0.2 3,-0.4 0.933 106.7 54.9 -73.3 -46.5 94.3 106.2 85.0 569 147 C I H X S+ 0 0 6 -4,-1.8 4,-1.8 1,-0.3 -2,-0.2 0.879 110.2 44.4 -54.1 -46.0 93.4 108.6 82.2 570 148 C Q H X S+ 0 0 115 -4,-1.0 4,-1.9 2,-0.2 -1,-0.3 0.726 108.7 58.3 -74.5 -20.8 95.3 106.7 79.5 571 149 C G H X S+ 0 0 28 -4,-0.7 4,-1.6 -3,-0.4 -2,-0.2 0.892 108.6 46.5 -71.5 -38.2 93.9 103.4 80.8 572 150 C L H X S+ 0 0 27 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.867 110.6 51.6 -69.2 -39.4 90.5 104.9 80.1 573 151 C L H X S+ 0 0 14 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.899 107.4 54.2 -64.5 -39.9 91.5 106.2 76.7 574 152 C K H X S+ 0 0 154 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.893 108.5 47.8 -61.3 -43.8 92.8 102.7 75.8 575 153 C K H X S+ 0 0 152 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.858 111.9 51.0 -66.6 -35.0 89.4 101.1 76.7 576 154 C H H X S+ 0 0 12 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.909 105.3 55.1 -71.1 -38.2 87.6 103.8 74.7 577 155 C E H X S+ 0 0 95 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.879 109.6 47.0 -61.7 -37.7 89.8 103.2 71.6 578 156 C A H X S+ 0 0 53 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.885 109.7 54.3 -70.0 -38.2 88.9 99.5 71.7 579 157 C F H X S+ 0 0 21 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.913 104.7 55.7 -60.0 -41.8 85.2 100.4 72.1 580 158 C E H X S+ 0 0 76 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.880 107.9 46.5 -58.4 -42.5 85.5 102.6 69.0 581 159 C T H X S+ 0 0 91 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.932 113.7 48.7 -67.2 -43.5 86.7 99.7 66.9 582 160 C D H X S+ 0 0 80 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.905 109.4 52.4 -62.0 -39.6 84.0 97.5 68.2 583 161 C F H X S+ 0 0 9 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.891 103.9 58.3 -64.6 -37.7 81.4 100.2 67.6 584 162 C T H X S+ 0 0 70 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.900 108.0 45.7 -58.4 -41.8 82.6 100.4 64.0 585 163 C V H X S+ 0 0 15 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.959 112.7 50.3 -66.6 -48.7 81.8 96.6 63.5 586 164 C H H X S+ 0 0 28 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.830 104.9 56.7 -59.9 -33.6 78.4 97.0 65.2 587 165 C K H X S+ 0 0 65 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.936 109.3 47.0 -62.6 -43.2 77.5 99.9 62.9 588 166 C D H X S+ 0 0 35 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.912 111.4 51.0 -62.2 -43.2 78.2 97.7 59.9 589 167 C R H X S+ 0 0 21 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.901 108.9 51.5 -60.1 -43.4 76.1 94.9 61.5 590 168 C V H X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.913 108.4 51.3 -62.0 -41.3 73.2 97.3 62.1 591 169 C N H X S+ 0 0 92 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.900 110.7 49.3 -63.7 -35.5 73.4 98.3 58.5 592 170 C D H X S+ 0 0 65 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.925 109.6 51.6 -66.9 -44.3 73.2 94.6 57.6 593 171 C V H X S+ 0 0 3 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.917 111.7 46.8 -58.6 -45.1 70.2 94.1 59.9 594 172 C C H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.901 109.0 53.3 -65.2 -41.1 68.4 97.0 58.3 595 173 C A H X S+ 0 0 43 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.925 110.1 49.8 -59.5 -41.6 69.1 95.9 54.7 596 174 C N H X S+ 0 0 52 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.895 108.5 52.2 -63.7 -40.7 67.7 92.5 55.7 597 175 C G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.919 108.2 51.1 -62.9 -41.0 64.6 94.2 57.1 598 176 C E H X S+ 0 0 99 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.915 110.2 50.4 -63.4 -39.4 64.1 96.1 53.8 599 177 C D H X S+ 0 0 79 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.924 107.9 51.9 -63.9 -43.8 64.4 92.8 52.0 600 178 C L H X S+ 0 0 8 -4,-2.5 4,-1.4 1,-0.2 6,-0.2 0.923 111.9 46.6 -57.3 -45.8 61.8 91.1 54.2 601 179 C I H < S+ 0 0 50 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.881 110.5 53.8 -62.8 -39.2 59.4 94.0 53.6 602 180 C K H < S+ 0 0 150 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.902 106.0 52.8 -61.8 -43.6 60.1 93.8 49.8 603 181 C K H < S- 0 0 124 -4,-2.5 2,-0.3 1,-0.2 -1,-0.2 0.826 128.8 -29.1 -64.2 -33.5 59.3 90.1 49.7 604 182 C N < - 0 0 37 -4,-1.4 -1,-0.2 -5,-0.2 0, 0.0 -0.981 59.0 -96.9-173.8 170.2 55.9 90.7 51.4 605 183 C N > + 0 0 121 -2,-0.3 3,-1.3 -3,-0.1 2,-0.3 0.293 69.2 132.9 -82.0 10.2 53.7 92.7 53.7 606 184 C H T 3 S- 0 0 70 1,-0.3 -2,-0.1 -6,-0.2 5,-0.1 -0.451 84.7 -15.1 -71.7 127.9 54.2 90.5 56.8 607 185 C H T 3> S+ 0 0 87 -2,-0.3 4,-2.9 1,-0.1 5,-0.3 0.743 85.8 151.1 55.3 27.4 55.0 92.4 60.0 608 186 C V H <> + 0 0 38 -3,-1.3 4,-2.9 1,-0.2 5,-0.2 0.891 68.1 50.6 -56.5 -43.4 55.9 95.5 57.9 609 187 C E H > S+ 0 0 145 -4,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.939 114.4 43.6 -59.7 -48.1 54.9 97.9 60.7 610 188 C N H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.906 115.7 47.6 -65.8 -42.7 57.0 96.1 63.3 611 189 C I H X S+ 0 0 2 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.932 113.4 48.8 -64.7 -43.4 60.0 95.7 60.9 612 190 C T H X S+ 0 0 73 -4,-2.9 4,-2.1 -5,-0.3 -2,-0.2 0.935 113.4 45.9 -61.6 -47.8 59.9 99.3 59.9 613 191 C A H X S+ 0 0 57 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.870 110.7 52.9 -65.8 -37.7 59.7 100.6 63.5 614 192 C K H X S+ 0 0 57 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.880 109.5 48.7 -67.1 -36.3 62.5 98.3 64.6 615 193 C M H X S+ 0 0 18 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.921 112.9 47.7 -67.1 -43.8 64.8 99.5 61.9 616 194 C K H X S+ 0 0 164 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.929 113.9 47.4 -61.3 -46.2 64.0 103.1 62.7 617 195 C G H X S+ 0 0 35 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.886 110.8 51.3 -64.0 -39.0 64.6 102.5 66.5 618 196 C L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.922 110.4 47.8 -66.7 -42.2 67.8 100.7 65.9 619 197 C K H X S+ 0 0 95 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.868 110.9 53.1 -65.5 -34.7 69.2 103.5 63.7 620 198 C G H X S+ 0 0 32 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.882 107.4 50.8 -66.2 -39.8 68.1 106.0 66.4 621 199 C K H X S+ 0 0 61 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.881 109.7 50.2 -65.2 -40.3 70.0 104.0 69.1 622 200 C V H X S+ 0 0 18 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.952 110.9 49.5 -61.9 -48.0 73.2 104.0 66.9 623 201 C S H X S+ 0 0 63 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.878 111.5 48.7 -58.5 -41.5 72.8 107.8 66.5 624 202 C D H X S+ 0 0 94 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.849 111.5 48.9 -69.3 -35.4 72.4 108.3 70.3 625 203 C L H X S+ 0 0 0 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.893 109.1 53.1 -71.8 -37.8 75.4 106.1 71.1 626 204 C E H X S+ 0 0 80 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.934 112.1 46.0 -60.5 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45.5 -66.1 -47.1 88.6 112.2 78.0 637 215 C D H X S+ 0 0 71 -4,-3.1 4,-1.0 1,-0.2 3,-0.2 0.921 112.8 50.6 -62.2 -45.1 90.8 114.0 75.4 638 216 C E H < S+ 0 0 130 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.799 110.4 51.3 -62.5 -30.4 90.3 117.4 77.1 639 217 C N H < S+ 0 0 83 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.801 112.9 43.0 -79.8 -28.7 91.3 115.8 80.4 640 218 C S H < 0 0 55 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.513 360.0 360.0 -95.8 -4.2 94.5 114.3 79.2 641 219 C A < 0 0 145 -4,-1.0 -3,-0.0 -5,-0.1 -4,-0.0 -0.447 360.0 360.0 -80.2 360.0 95.8 117.2 77.1