==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 22-NOV-05 2F3Z . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.L.FALLON,F.A.QUIOCHO . 162 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9038.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 . 6 3.7 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 . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 1 0 3 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 A Q 0 0 192 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.1 11.0 7.6 -5.8 2 4 A L - 0 0 64 4,-0.1 2,-0.2 1,-0.1 69,-0.0 -0.270 360.0-155.0 -58.8 136.0 9.0 5.6 -3.3 3 5 A T > - 0 0 68 1,-0.1 4,-2.1 -2,-0.0 5,-0.2 -0.618 32.1-100.6-107.2 169.0 9.0 1.8 -3.8 4 6 A E H > S+ 0 0 163 1,-0.2 4,-1.0 -2,-0.2 -1,-0.1 0.908 125.0 46.0 -54.0 -45.5 6.4 -0.8 -2.7 5 7 A E H > S+ 0 0 125 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.888 106.6 58.0 -66.2 -41.7 8.6 -1.8 0.3 6 8 A Q H > S+ 0 0 53 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.922 106.3 49.2 -54.5 -47.0 9.2 1.9 1.3 7 9 A I H X S+ 0 0 57 -4,-2.1 4,-1.3 1,-0.2 -1,-0.3 0.797 107.8 56.5 -63.3 -29.2 5.5 2.4 1.6 8 10 A A H X S+ 0 0 47 -4,-1.0 4,-1.7 -3,-0.3 -1,-0.2 0.915 107.8 45.6 -69.0 -44.4 5.3 -0.7 3.7 9 11 A E H X S+ 0 0 16 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.888 113.0 51.3 -65.3 -39.5 7.8 0.6 6.2 10 12 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.763 106.9 53.3 -69.4 -26.6 6.1 3.9 6.3 11 13 A K H X S+ 0 0 100 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.855 106.1 54.1 -75.4 -34.7 2.7 2.2 7.0 12 14 A E H X S+ 0 0 120 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.954 111.0 45.5 -60.2 -49.9 4.4 0.4 9.9 13 15 A A H >X S+ 0 0 11 -4,-2.0 4,-0.9 1,-0.2 3,-0.5 0.910 111.5 52.0 -59.3 -46.3 5.5 3.7 11.3 14 16 A F H >X S+ 0 0 4 -4,-2.2 4,-2.8 1,-0.2 3,-1.0 0.908 106.4 54.2 -58.4 -43.7 2.0 5.3 10.7 15 17 A S H 3< S+ 0 0 59 -4,-2.6 -1,-0.2 1,-0.3 6,-0.2 0.789 96.9 65.5 -62.4 -29.1 0.4 2.4 12.6 16 18 A L H << S+ 0 0 35 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.848 113.7 32.6 -61.9 -33.6 2.6 3.0 15.6 17 19 A F H << S+ 0 0 0 -3,-1.0 2,-2.3 -4,-0.9 3,-0.2 0.851 108.8 67.0 -89.4 -42.3 0.8 6.3 16.0 18 20 A D >< + 0 0 10 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 -0.457 63.2 166.0 -80.8 70.7 -2.6 5.4 14.7 19 21 A K T 3 S+ 0 0 121 -2,-2.3 -1,-0.2 1,-0.3 6,-0.1 0.856 74.0 45.6 -54.7 -43.0 -3.3 3.0 17.6 20 22 A D T 3 S- 0 0 107 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.366 103.4-132.5 -85.8 7.0 -7.1 2.7 16.9 21 23 A G < + 0 0 60 -3,-1.7 -2,-0.1 -6,-0.2 4,-0.1 0.775 60.7 138.8 47.4 36.8 -6.4 2.2 13.2 22 24 A D S S- 0 0 91 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.355 76.4-104.9 -90.2 5.9 -9.0 4.7 12.1 23 25 A G S S+ 0 0 33 1,-0.2 40,-0.6 -5,-0.2 2,-0.3 0.495 91.5 82.4 87.5 3.1 -6.8 6.1 9.4 24 26 A T E -A 62 0A 32 38,-0.2 2,-0.5 39,-0.1 -2,-0.3 -0.998 66.7-136.7-142.9 146.6 -5.8 9.3 11.2 25 27 A I E -A 61 0A 0 36,-2.7 36,-2.0 -2,-0.3 2,-0.2 -0.895 25.6-163.5-102.7 125.1 -3.3 10.4 13.8 26 28 A T > - 0 0 38 -2,-0.5 4,-2.3 -9,-0.2 5,-0.2 -0.556 35.4-108.9-101.3 167.7 -4.7 12.8 16.4 27 29 A T H > S+ 0 0 36 32,-0.3 4,-2.3 1,-0.2 5,-0.1 0.849 122.1 57.2 -64.5 -29.1 -2.8 15.0 18.8 28 30 A K H > S+ 0 0 165 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.926 108.7 43.7 -65.0 -46.4 -4.0 12.6 21.5 29 31 A E H > S+ 0 0 15 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.868 113.1 51.6 -68.0 -36.9 -2.4 9.6 19.8 30 32 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.902 108.0 52.7 -66.7 -40.4 0.8 11.6 19.1 31 33 A G H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.902 106.0 54.2 -60.9 -40.8 1.0 12.5 22.7 32 34 A T H X S+ 0 0 66 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.922 113.8 40.7 -60.3 -45.9 0.7 8.9 23.7 33 35 A V H X S+ 0 0 2 -4,-1.8 4,-0.7 2,-0.2 3,-0.4 0.910 112.8 54.0 -71.1 -40.7 3.7 7.9 21.5 34 36 A M H ><>S+ 0 0 2 -4,-3.0 5,-2.4 1,-0.3 3,-1.0 0.905 108.3 50.0 -60.1 -41.1 5.8 11.0 22.4 35 37 A R H ><5S+ 0 0 120 -4,-2.5 3,-0.8 1,-0.3 -1,-0.3 0.764 107.1 55.4 -68.6 -23.5 5.4 10.2 26.1 36 38 A S H 3<5S+ 0 0 31 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.611 104.6 55.3 -82.7 -11.0 6.5 6.7 25.3 37 39 A L T <<5S- 0 0 5 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.260 127.8 -94.3-103.7 11.0 9.6 8.1 23.7 38 40 A G T < 5S+ 0 0 45 -3,-0.8 -3,-0.2 1,-0.3 2,-0.2 0.553 88.6 118.5 90.1 9.9 10.7 10.1 26.7 39 41 A Q < - 0 0 79 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.546 47.1-161.6-102.5 169.5 9.1 13.4 25.7 40 42 A N - 0 0 133 -2,-0.2 -9,-0.1 -3,-0.1 -5,-0.1 -0.393 20.6-176.3-149.3 63.3 6.4 15.4 27.5 41 43 A P - 0 0 14 0, 0.0 2,-0.1 0, 0.0 -6,-0.1 -0.295 22.7-126.2 -65.8 145.1 5.0 17.8 24.9 42 44 A T > - 0 0 79 1,-0.1 4,-2.3 -2,-0.0 5,-0.2 -0.403 32.8-102.7 -81.1 167.1 2.3 20.3 25.8 43 45 A E H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.882 124.9 55.1 -61.0 -35.8 -0.9 20.4 23.8 44 46 A A H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 107.8 49.3 -62.5 -40.9 0.4 23.4 22.0 45 47 A E H > S+ 0 0 100 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.916 111.2 48.7 -63.8 -44.8 3.5 21.5 21.0 46 48 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.890 109.0 53.1 -62.8 -40.9 1.5 18.5 19.8 47 49 A Q H X S+ 0 0 107 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.893 108.7 50.0 -62.2 -39.6 -0.8 20.8 17.8 48 50 A D H X S+ 0 0 101 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.880 109.8 51.0 -66.0 -38.5 2.3 22.4 16.1 49 51 A M H X S+ 0 0 38 -4,-1.9 4,-0.5 2,-0.2 -2,-0.2 0.888 112.8 45.1 -66.6 -40.0 3.7 18.9 15.2 50 52 A I H >X S+ 0 0 1 -4,-2.3 4,-3.0 1,-0.2 3,-1.3 0.921 109.4 57.7 -68.4 -43.3 0.4 17.8 13.7 51 53 A N H 3< S+ 0 0 98 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.841 97.3 59.7 -55.9 -39.8 0.1 21.1 11.8 52 54 A E H 3< S+ 0 0 167 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.753 119.7 29.1 -62.0 -24.8 3.4 20.7 10.0 53 55 A V H << S+ 0 0 12 -3,-1.3 2,-2.1 -4,-0.5 -2,-0.2 0.719 94.9 92.7-105.2 -32.9 2.1 17.5 8.4 54 56 A D >< + 0 0 10 -4,-3.0 3,-1.4 1,-0.2 5,-0.2 -0.449 52.4 178.0 -68.4 82.5 -1.6 18.2 8.3 55 57 A A T 3 S+ 0 0 91 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.828 75.8 43.5 -58.2 -39.1 -1.6 19.6 4.7 56 58 A D T 3 S- 0 0 100 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.331 104.6-126.7 -93.1 9.4 -5.4 20.1 4.4 57 59 A G < + 0 0 59 -3,-1.4 -2,-0.1 -6,-0.2 4,-0.1 0.748 65.2 134.5 55.4 33.8 -5.7 21.6 7.9 58 60 A N S S- 0 0 96 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.311 79.0-105.2 -93.4 11.0 -8.5 19.3 9.3 59 61 A G S S+ 0 0 36 1,-0.2 -32,-0.3 -5,-0.2 2,-0.3 0.449 91.0 69.4 85.9 -0.5 -6.6 18.9 12.5 60 62 A T S S- 0 0 29 -34,-0.1 2,-0.5 -10,-0.1 -2,-0.4 -0.921 75.8-114.7-142.7 168.8 -5.3 15.3 12.0 61 63 A I E -A 25 0A 0 -36,-2.0 -36,-2.7 -2,-0.3 2,-0.2 -0.928 26.9-167.8-111.0 123.4 -2.8 13.4 9.8 62 64 A D E > -A 24 0A 41 -2,-0.5 4,-2.4 -38,-0.2 -38,-0.2 -0.502 39.8 -95.8 -99.2 175.9 -4.1 10.8 7.4 63 65 A F H > S+ 0 0 50 -40,-0.6 4,-3.4 1,-0.2 5,-0.3 0.918 122.0 53.5 -60.4 -45.9 -1.9 8.3 5.6 64 66 A P H > S+ 0 0 83 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.915 112.5 45.6 -55.7 -41.1 -1.5 10.3 2.4 65 67 A E H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.914 113.9 49.0 -66.6 -42.9 -0.2 13.3 4.4 66 68 A F H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.934 112.2 48.4 -61.6 -47.7 2.1 11.0 6.5 67 69 A L H X S+ 0 0 31 -4,-3.4 4,-2.6 1,-0.2 5,-0.3 0.894 108.5 54.2 -60.7 -43.5 3.5 9.4 3.3 68 70 A T H X S+ 0 0 101 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.932 113.3 42.0 -57.6 -47.4 4.1 12.8 1.7 69 71 A M H X S+ 0 0 22 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.925 116.0 47.5 -67.4 -45.3 6.1 14.0 4.6 70 72 A M H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.855 111.9 50.3 -66.3 -35.1 8.0 10.8 5.2 71 73 A A H X S+ 0 0 12 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.879 110.8 50.5 -69.7 -37.0 8.9 10.5 1.5 72 74 A R H X S+ 0 0 200 -4,-1.7 4,-0.7 -5,-0.3 3,-0.4 0.938 110.8 46.2 -66.9 -48.6 10.1 14.1 1.4 73 75 A K H >< S+ 0 0 71 -4,-2.3 3,-0.8 1,-0.2 6,-0.2 0.859 109.4 56.0 -63.9 -34.1 12.4 13.8 4.4 74 76 A M H 3< S+ 0 0 46 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.822 101.6 57.6 -67.2 -29.9 13.8 10.5 3.1 75 77 A K H 3< S+ 0 0 132 -4,-1.2 2,-1.5 -3,-0.4 -1,-0.2 0.697 89.9 77.6 -72.8 -19.2 14.8 12.3 -0.1 76 78 A D X< + 0 0 83 -3,-0.8 3,-1.7 -4,-0.7 -1,-0.2 -0.506 51.8 157.2 -91.1 67.5 16.9 14.7 1.9 77 79 A T T 3 S+ 0 0 122 -2,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.615 70.9 62.2 -66.3 -11.4 19.8 12.3 2.4 78 80 A D T 3 S+ 0 0 144 -3,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.598 84.3 96.5 -88.9 -13.4 22.0 15.4 3.0 79 81 A S < - 0 0 43 -3,-1.7 4,-0.1 -6,-0.2 -3,-0.0 -0.540 45.2-180.0 -79.6 143.0 20.0 16.5 6.0 80 82 A E > + 0 0 103 -2,-0.2 4,-2.5 2,-0.1 5,-0.2 0.450 63.4 89.7-117.3 -9.5 21.2 15.5 9.5 81 83 A E H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.868 87.1 51.8 -58.6 -38.2 18.4 17.1 11.5 82 84 A E H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.878 109.9 49.3 -67.5 -35.7 16.4 13.9 11.4 83 85 A I H > S+ 0 0 17 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.902 110.1 51.0 -68.3 -40.6 19.3 11.9 12.7 84 86 A R H X S+ 0 0 93 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.908 110.6 49.8 -62.3 -39.7 19.9 14.4 15.5 85 87 A E H X S+ 0 0 45 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.907 110.3 49.0 -65.0 -41.7 16.2 14.1 16.4 86 88 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.913 108.3 54.6 -64.0 -42.1 16.4 10.3 16.4 87 89 A F H X S+ 0 0 16 -4,-2.7 4,-3.3 1,-0.2 -1,-0.2 0.928 107.0 50.3 -57.2 -46.4 19.5 10.5 18.6 88 90 A R H < S+ 0 0 114 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.836 105.4 57.0 -62.1 -32.4 17.6 12.6 21.1 89 91 A V H < S+ 0 0 2 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.922 114.9 38.1 -63.8 -42.0 14.8 10.1 21.1 90 92 A F H < S+ 0 0 0 -4,-1.9 2,-2.3 1,-0.2 -2,-0.2 0.951 107.2 66.2 -72.0 -49.6 17.3 7.4 22.2 91 93 A D >< + 0 0 12 -4,-3.3 3,-1.6 1,-0.2 -1,-0.2 -0.404 62.0 165.4 -76.1 69.7 19.4 9.6 24.5 92 94 A K T 3 S+ 0 0 69 -2,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.827 72.1 48.3 -58.5 -37.1 16.7 10.2 27.1 93 95 A D T 3 S- 0 0 102 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.456 103.4-130.1 -86.0 3.7 18.9 11.5 29.9 94 96 A G < + 0 0 58 -3,-1.6 -2,-0.1 -6,-0.2 4,-0.1 0.682 66.7 130.4 60.1 23.5 20.6 13.9 27.5 95 97 A N S S- 0 0 81 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.421 79.0-110.3 -88.7 5.3 24.2 13.0 28.4 96 98 A G S S+ 0 0 30 -5,-0.2 40,-0.5 1,-0.2 2,-0.4 0.520 89.2 94.9 82.6 4.8 25.2 12.5 24.8 97 99 A Y E -B 135 0B 87 38,-0.2 2,-0.7 39,-0.1 -2,-0.3 -0.996 66.8-140.0-132.5 131.9 25.5 8.7 25.0 98 100 A I E -B 134 0B 2 36,-2.9 36,-2.2 -2,-0.4 2,-0.1 -0.816 27.2-158.1 -90.6 116.0 23.0 6.1 24.2 99 101 A S > - 0 0 38 -2,-0.7 4,-2.5 34,-0.2 5,-0.2 -0.409 31.2-104.0 -87.4 168.8 23.2 3.4 26.8 100 102 A A H > S+ 0 0 25 32,-0.3 4,-2.8 1,-0.2 5,-0.2 0.909 124.0 50.2 -57.8 -43.7 22.1 -0.2 26.4 101 103 A A H > S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.895 109.5 50.8 -64.0 -39.3 19.0 0.6 28.5 102 104 A E H > S+ 0 0 18 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.907 112.0 46.5 -66.2 -39.8 18.2 3.6 26.4 103 105 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 3,-0.2 0.940 112.1 50.7 -67.1 -45.8 18.5 1.6 23.2 104 106 A R H X S+ 0 0 79 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.906 105.3 57.9 -56.6 -42.3 16.4 -1.2 24.6 105 107 A H H X S+ 0 0 90 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.897 107.8 45.2 -57.8 -43.3 13.7 1.2 25.7 106 108 A V H X S+ 0 0 1 -4,-1.5 4,-1.6 -3,-0.2 -1,-0.2 0.929 113.7 49.4 -66.9 -44.9 13.2 2.6 22.2 107 109 A M H <>S+ 0 0 0 -4,-2.2 5,-2.9 1,-0.2 4,-0.3 0.891 108.2 53.6 -61.0 -40.1 13.1 -0.9 20.7 108 110 A T H ><5S+ 0 0 51 -4,-2.9 3,-1.5 1,-0.2 -1,-0.2 0.915 107.2 52.7 -60.6 -41.1 10.6 -2.1 23.3 109 111 A N H 3<5S+ 0 0 46 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.838 103.6 55.7 -62.5 -35.2 8.4 0.9 22.3 110 112 A L T 3<5S- 0 0 37 -4,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.510 126.6-104.1 -75.4 -3.7 8.7 -0.3 18.6 111 113 A G T < 5S+ 0 0 50 -3,-1.5 2,-0.7 -4,-0.3 -3,-0.2 0.630 81.6 131.7 90.0 14.6 7.3 -3.6 19.8 112 114 A E < - 0 0 67 -5,-2.9 2,-0.7 -6,-0.2 -1,-0.2 -0.872 41.8-160.4-106.0 104.3 10.7 -5.4 19.6 113 115 A K - 0 0 165 -2,-0.7 2,-0.4 -3,-0.1 -5,-0.0 -0.738 16.9-171.5 -84.7 114.1 11.4 -7.3 22.8 114 116 A L - 0 0 20 -2,-0.7 2,-0.1 -10,-0.1 -6,-0.0 -0.854 20.6-125.3-112.6 144.6 15.2 -8.0 22.9 115 117 A T > - 0 0 78 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.348 36.6-104.0 -75.5 164.7 17.3 -10.1 25.2 116 118 A D H > S+ 0 0 103 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.845 123.7 53.0 -59.1 -33.3 20.2 -8.5 27.1 117 119 A E H > S+ 0 0 109 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.902 107.2 49.9 -69.8 -40.7 22.5 -10.2 24.6 118 120 A E H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.913 111.7 49.8 -63.0 -41.9 20.7 -8.8 21.6 119 121 A V H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.934 110.4 48.5 -62.2 -47.7 20.8 -5.3 23.1 120 122 A D H X S+ 0 0 74 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.879 111.4 51.8 -61.1 -35.4 24.5 -5.6 23.8 121 123 A E H X S+ 0 0 61 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.868 107.5 51.5 -69.1 -36.0 25.1 -6.8 20.3 122 124 A M H X S+ 0 0 0 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.891 113.2 45.4 -66.6 -39.4 23.1 -3.8 18.9 123 125 A I H >X S+ 0 0 7 -4,-2.2 4,-2.7 1,-0.2 3,-2.0 0.971 110.8 52.8 -65.3 -54.0 25.2 -1.4 20.9 124 126 A R H 3< S+ 0 0 126 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.831 100.3 63.7 -50.6 -38.1 28.4 -3.2 19.9 125 127 A E H 3< S+ 0 0 108 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.751 118.9 23.8 -61.0 -26.3 27.5 -2.9 16.2 126 128 A A H << S+ 0 0 4 -3,-2.0 2,-2.2 -4,-0.6 -2,-0.2 0.600 96.3 101.1-112.6 -18.1 27.7 0.9 16.4 127 129 A D >< + 0 0 18 -4,-2.7 3,-1.4 1,-0.2 5,-0.2 -0.399 42.7 170.1 -73.7 74.7 30.0 1.2 19.4 128 130 A I T 3 S+ 0 0 109 -2,-2.2 -1,-0.2 1,-0.3 6,-0.1 0.864 76.0 42.2 -53.1 -46.8 33.3 2.0 17.5 129 131 A D T 3 S- 0 0 94 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.450 103.9-129.6 -85.7 2.3 35.4 3.0 20.5 130 132 A G < + 0 0 54 -3,-1.4 -2,-0.1 -6,-0.1 4,-0.1 0.672 64.2 133.3 62.0 23.8 34.0 0.1 22.6 131 133 A D S S- 0 0 75 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.400 80.1-104.5 -85.5 6.3 33.1 2.1 25.8 132 134 A G S S+ 0 0 43 1,-0.2 -32,-0.3 -5,-0.2 2,-0.3 0.439 92.8 78.7 90.0 -2.5 29.7 0.4 26.0 133 135 A Q S S- 0 0 53 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.941 73.7-123.3-138.0 161.0 27.7 3.3 24.7 134 136 A V E -B 98 0B 0 -36,-2.2 -36,-2.9 -2,-0.3 -7,-0.1 -0.911 26.3-166.0-107.0 113.8 26.9 5.0 21.4 135 137 A N E > -B 97 0B 34 -2,-0.6 4,-2.2 -38,-0.2 -38,-0.2 -0.267 40.5 -92.0 -86.3-178.2 27.8 8.7 21.1 136 138 A Y H > S+ 0 0 69 -40,-0.5 4,-2.8 2,-0.2 5,-0.2 0.931 124.9 52.0 -62.5 -46.6 26.5 10.9 18.3 137 139 A E H > S+ 0 0 147 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.909 113.3 46.0 -54.5 -45.5 29.4 10.4 15.9 138 140 A E H > S+ 0 0 6 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.868 110.9 53.4 -66.1 -36.9 28.9 6.6 16.3 139 141 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.924 107.8 50.0 -64.9 -45.9 25.2 7.0 15.8 140 142 A V H X S+ 0 0 29 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.955 109.6 49.5 -57.9 -53.6 25.5 8.9 12.6 141 143 A Q H < S+ 0 0 107 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.878 111.2 51.5 -53.4 -39.6 27.9 6.4 11.0 142 144 A M H < S+ 0 0 14 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.895 115.4 41.0 -64.5 -41.2 25.5 3.6 12.0 143 145 A M H < 0 0 39 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.762 360.0 360.0 -79.7 -27.7 22.6 5.5 10.3 144 146 A T < 0 0 113 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.499 360.0 360.0-105.8 360.0 24.6 6.6 7.3 145 !* 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 0.0 146 1665 B K > 0 0 23 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 14.3 9.2 12.8 15.8 147 1666 B F H > + 0 0 8 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.958 360.0 39.7 -58.0 -52.0 7.4 10.8 13.2 148 1667 B Y H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.841 110.7 58.9 -68.4 -32.8 10.5 10.4 11.0 149 1668 B A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 105.2 50.7 -62.5 -39.8 12.8 9.9 14.1 150 1669 B T H X S+ 0 0 4 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.867 108.4 52.1 -65.2 -36.4 10.6 6.9 15.0 151 1670 B F H X S+ 0 0 4 -4,-1.4 4,-1.2 1,-0.2 -2,-0.2 0.922 108.8 50.6 -64.9 -42.1 11.0 5.5 11.5 152 1671 B L H X S+ 0 0 18 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.864 104.7 56.6 -64.1 -36.1 14.8 5.9 11.8 153 1672 B A H X S+ 0 0 1 -4,-2.0 4,-1.4 1,-0.3 -1,-0.2 0.920 107.9 48.2 -61.0 -41.4 14.8 4.0 15.1 154 1673 B A H X S+ 0 0 19 -4,-1.6 4,-2.4 1,-0.2 -1,-0.3 0.761 107.9 56.9 -68.4 -24.3 13.1 1.2 13.3 155 1674 B E H X S+ 0 0 63 -4,-1.2 4,-2.3 2,-0.2 5,-0.2 0.873 100.2 56.0 -73.3 -39.2 15.7 1.5 10.6 156 1675 B Y H X S+ 0 0 4 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.895 112.0 46.0 -58.7 -38.9 18.5 1.0 13.2 157 1676 B F H X S+ 0 0 17 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.945 109.3 50.8 -70.3 -52.1 16.7 -2.3 14.0 158 1677 B R H X S+ 0 0 29 -4,-2.4 4,-1.4 1,-0.3 -2,-0.2 0.938 109.5 51.2 -52.7 -51.2 16.2 -3.5 10.5 159 1678 B K H < S+ 0 0 95 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.870 110.7 51.0 -54.2 -37.9 19.8 -3.0 9.6 160 1679 B F H < S+ 0 0 39 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.932 105.5 52.9 -65.7 -47.7 20.7 -5.0 12.7 161 1680 B K H < S+ 0 0 125 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.731 104.9 74.6 -60.6 -21.3 18.4 -7.9 11.8 162 1681 B K < 0 0 95 -4,-1.4 -3,-0.1 -5,-0.2 -2,-0.1 0.541 360.0 360.0 -65.9-141.5 20.2 -7.9 8.5 163 1682 B R 0 0 260 -4,-0.1 -3,-0.1 0, 0.0 -4,-0.1 0.898 360.0 360.0 -43.1 360.0 23.8 -9.2 7.9