==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 25-JUL-11 2LGF . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.L.GIFFORD,H.ISHIDA,H.J.VOGEL . 161 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 66.5 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 . 4 2.5 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 . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 52.2 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 1 0 1 1 3 0 2 1 0 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 . 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 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 3 A Q 0 0 219 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 87.7 7.7 19.2 3.6 2 4 A L - 0 0 80 4,-0.1 2,-0.1 3,-0.0 0, 0.0 -0.777 360.0-156.8 -90.6 114.6 7.4 17.9 0.1 3 5 A T > - 0 0 74 -2,-0.7 4,-2.6 1,-0.1 5,-0.2 -0.444 30.7-107.6 -86.6 162.5 10.8 17.5 -1.5 4 6 A E H > S+ 0 0 153 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.870 122.1 53.7 -56.0 -37.5 11.5 17.4 -5.3 5 7 A E H > S+ 0 0 79 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.915 108.8 47.8 -64.4 -43.2 12.2 13.7 -5.0 6 8 A Q H > S+ 0 0 44 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.916 111.9 49.8 -64.1 -43.3 8.9 13.1 -3.3 7 9 A I H X S+ 0 0 72 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.922 109.8 50.8 -62.0 -43.5 7.0 15.1 -5.9 8 10 A A H X S+ 0 0 57 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.858 105.6 57.8 -62.2 -34.7 8.8 13.2 -8.7 9 11 A E H X S+ 0 0 9 -4,-1.8 4,-3.9 1,-0.2 5,-0.3 0.922 106.4 47.8 -62.1 -44.2 7.7 9.9 -7.0 10 12 A F H X S+ 0 0 11 -4,-1.8 4,-4.0 2,-0.2 5,-0.5 0.927 110.3 51.7 -62.4 -46.2 4.1 10.9 -7.2 11 13 A K H X S+ 0 0 165 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.928 118.9 36.5 -57.6 -45.9 4.3 11.9 -10.8 12 14 A E H X S+ 0 0 70 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.940 123.0 43.1 -72.1 -48.3 5.9 8.5 -11.7 13 15 A A H X S+ 0 0 2 -4,-3.9 4,-2.0 -5,-0.2 -3,-0.2 0.942 116.6 47.3 -62.9 -48.1 3.9 6.5 -9.2 14 16 A F H X S+ 0 0 26 -4,-4.0 4,-3.1 -5,-0.3 -1,-0.2 0.923 110.2 52.5 -59.7 -45.7 0.6 8.3 -10.1 15 17 A S H < S+ 0 0 63 -4,-1.9 -1,-0.2 -5,-0.5 -2,-0.2 0.845 108.3 52.9 -59.8 -33.2 1.3 7.9 -13.8 16 18 A L H < S+ 0 0 69 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.909 112.4 42.6 -68.7 -43.1 1.8 4.2 -13.2 17 19 A F H < S+ 0 0 20 -4,-2.0 2,-1.1 1,-0.2 -2,-0.2 0.904 105.8 68.4 -69.9 -41.9 -1.5 3.8 -11.4 18 20 A D < - 0 0 2 -4,-3.1 -1,-0.2 1,-0.2 7,-0.1 -0.690 63.4-176.3 -83.1 101.0 -3.3 6.0 -13.9 19 21 A K S S+ 0 0 158 -2,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.939 87.6 38.7 -62.8 -47.7 -3.3 4.0 -17.1 20 22 A D S S- 0 0 93 -3,-0.1 -1,-0.2 1,-0.0 -2,-0.1 0.810 102.3-137.3 -72.5 -29.4 -5.0 6.7 -19.2 21 23 A G + 0 0 51 3,-0.2 -2,-0.1 -7,-0.1 -6,-0.1 0.892 50.7 149.0 73.6 40.8 -3.0 9.3 -17.4 22 24 A D - 0 0 77 2,-0.3 3,-0.1 -7,-0.0 -1,-0.1 0.470 69.1-110.7 -83.4 -1.8 -5.9 11.7 -17.0 23 25 A G S S+ 0 0 46 1,-0.3 40,-0.4 -9,-0.1 2,-0.3 0.669 89.9 94.4 80.4 17.1 -4.4 13.0 -13.7 24 26 A T - 0 0 44 38,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.995 68.8-133.7-141.8 147.0 -7.2 11.3 -11.8 25 27 A I B -A 61 0A 7 36,-1.7 36,-2.0 -2,-0.3 2,-0.1 -0.894 24.0-162.1-105.4 119.5 -7.7 8.0 -10.0 26 28 A T > - 0 0 43 -2,-0.6 4,-2.0 34,-0.2 5,-0.3 -0.391 30.4-112.6 -91.3 172.4 -10.9 6.2 -10.7 27 29 A T H > S+ 0 0 58 32,-0.2 4,-3.1 1,-0.2 5,-0.3 0.871 116.6 54.8 -71.7 -38.7 -12.6 3.4 -8.7 28 30 A K H > S+ 0 0 156 3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.863 111.2 46.1 -63.1 -36.8 -12.0 0.9 -11.4 29 31 A E H > S+ 0 0 16 2,-0.2 4,-2.0 3,-0.1 5,-0.2 0.986 122.1 32.8 -70.0 -60.3 -8.3 1.7 -11.5 30 32 A L H X S+ 0 0 14 -4,-2.0 4,-3.4 1,-0.2 5,-0.2 0.891 119.5 54.8 -63.5 -39.8 -7.6 1.6 -7.8 31 33 A G H X S+ 0 0 4 -4,-3.1 4,-1.6 -5,-0.3 -1,-0.2 0.915 106.8 50.4 -60.6 -43.7 -10.3 -1.1 -7.3 32 34 A T H X S+ 0 0 57 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.938 116.1 41.2 -60.6 -47.3 -8.6 -3.4 -9.9 33 35 A V H X S+ 0 0 27 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.905 112.3 54.9 -66.8 -42.4 -5.2 -3.0 -8.2 34 36 A M H < S+ 0 0 20 -4,-3.4 5,-0.4 1,-0.2 -1,-0.2 0.773 112.3 45.3 -62.2 -25.8 -6.7 -3.3 -4.7 35 37 A R H >X S+ 0 0 107 -4,-1.6 3,-1.4 -5,-0.2 4,-0.8 0.813 98.1 68.3 -86.1 -34.6 -8.3 -6.6 -5.9 36 38 A S H 3< S+ 0 0 50 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.687 80.1 82.3 -58.7 -16.3 -5.1 -7.9 -7.5 37 39 A L T 3< S- 0 0 2 -4,-0.7 -1,-0.3 -5,-0.1 -2,-0.1 0.307 123.1 -99.5 -72.9 13.0 -3.8 -8.1 -4.0 38 40 A G T <4 S+ 0 0 55 -3,-1.4 2,-0.3 1,-0.3 -2,-0.2 0.604 90.3 122.6 79.2 11.3 -5.6 -11.4 -3.8 39 41 A Q < - 0 0 65 -4,-0.8 -1,-0.3 -5,-0.4 -2,-0.1 -0.731 49.3-160.7-106.0 156.2 -8.4 -9.6 -1.9 40 42 A N + 0 0 145 -2,-0.3 2,-0.1 -3,-0.1 -5,-0.1 -0.487 23.4 169.1-134.4 64.6 -12.1 -9.4 -2.9 41 43 A P - 0 0 17 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.400 34.3-111.4 -75.9 152.9 -13.6 -6.4 -0.9 42 44 A T >> - 0 0 93 1,-0.1 4,-2.1 -2,-0.1 3,-0.8 -0.430 28.6-106.2 -82.8 159.9 -17.1 -5.1 -1.7 43 45 A E H 3> S+ 0 0 129 1,-0.3 4,-4.2 2,-0.2 5,-0.4 0.826 120.2 64.2 -53.1 -32.1 -17.7 -1.7 -3.3 44 46 A A H 3> S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.933 105.0 42.7 -58.4 -47.3 -18.9 -0.6 0.1 45 47 A E H <> S+ 0 0 85 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.915 121.1 41.7 -65.9 -43.4 -15.4 -1.1 1.6 46 48 A L H X S+ 0 0 23 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.967 117.7 44.8 -68.2 -54.3 -13.7 0.5 -1.4 47 49 A Q H X S+ 0 0 91 -4,-4.2 4,-2.9 1,-0.2 5,-0.2 0.906 113.9 51.5 -56.7 -43.0 -16.2 3.4 -1.8 48 50 A D H X S+ 0 0 82 -4,-2.5 4,-2.1 -5,-0.4 -1,-0.2 0.922 110.8 47.6 -60.8 -44.5 -16.1 3.9 1.9 49 51 A M H X S+ 0 0 41 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.912 112.7 49.2 -63.2 -42.8 -12.3 4.1 1.9 50 52 A I H X S+ 0 0 11 -4,-2.8 4,-3.2 1,-0.2 3,-0.3 0.923 109.0 52.0 -63.0 -44.9 -12.3 6.4 -1.1 51 53 A N H < S+ 0 0 76 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.898 109.0 50.7 -58.7 -40.7 -14.8 8.7 0.6 52 54 A E H < S+ 0 0 124 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.804 118.4 38.7 -66.9 -28.7 -12.6 8.9 3.7 53 55 A V H < S+ 0 0 11 -4,-1.4 2,-1.1 -3,-0.3 -2,-0.2 0.708 100.3 83.2 -92.4 -24.2 -9.7 9.7 1.5 54 56 A D < - 0 0 6 -4,-3.2 -1,-0.1 1,-0.2 7,-0.1 -0.706 59.6-169.7 -85.1 100.6 -11.7 12.0 -0.8 55 57 A A S S+ 0 0 104 -2,-1.1 -1,-0.2 1,-0.2 -4,-0.1 0.740 93.6 31.3 -60.5 -23.8 -11.8 15.3 1.0 56 58 A D S S- 0 0 89 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.576 99.2-135.9-108.9 -16.1 -14.4 16.4 -1.6 57 59 A G + 0 0 41 -7,-0.2 -6,-0.1 -6,-0.1 4,-0.1 0.936 48.3 152.1 60.3 47.1 -16.0 13.1 -2.2 58 60 A N - 0 0 80 2,-0.5 -1,-0.1 -7,-0.0 3,-0.1 0.474 69.1-105.6 -86.2 -2.2 -16.1 13.6 -6.0 59 61 A G S S+ 0 0 35 1,-0.3 2,-0.3 -12,-0.1 -32,-0.2 0.232 97.2 75.5 96.6 -12.3 -15.9 9.9 -6.5 60 62 A T S S- 0 0 40 -34,-0.1 2,-0.5 -10,-0.1 -2,-0.5 -0.926 74.2-129.7-131.3 155.2 -12.3 10.1 -7.6 61 63 A I B -A 25 0A 6 -36,-2.0 -36,-1.7 -2,-0.3 2,-0.2 -0.919 20.6-156.8-110.1 124.2 -9.0 10.5 -5.8 62 64 A D > - 0 0 43 -2,-0.5 4,-2.0 -38,-0.2 3,-0.3 -0.501 34.8-101.0 -92.3 165.2 -6.5 13.2 -6.9 63 65 A F H > S+ 0 0 65 -40,-0.4 4,-1.9 1,-0.2 3,-0.4 0.938 123.1 53.5 -49.1 -54.5 -2.8 13.2 -6.3 64 66 A P H > S+ 0 0 75 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.887 107.3 51.9 -49.0 -43.6 -3.2 15.8 -3.5 65 67 A E H > S+ 0 0 12 -3,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.905 105.0 55.7 -62.4 -41.0 -5.8 13.5 -1.8 66 68 A F H X S+ 0 0 12 -4,-2.0 4,-2.3 -3,-0.4 -1,-0.2 0.892 103.4 55.2 -58.8 -40.0 -3.4 10.6 -1.9 67 69 A L H X S+ 0 0 45 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.932 109.4 46.3 -59.6 -44.8 -0.8 12.7 -0.1 68 70 A T H X S+ 0 0 91 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.923 110.2 53.1 -63.3 -43.9 -3.3 13.3 2.7 69 71 A M H X S+ 0 0 4 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.881 106.3 54.4 -57.8 -40.0 -4.3 9.6 2.8 70 72 A M H X S+ 0 0 1 -4,-2.3 4,-3.4 1,-0.2 5,-0.3 0.920 103.6 54.4 -62.5 -42.9 -0.6 8.7 3.2 71 73 A A H X S+ 0 0 56 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.858 110.8 47.7 -58.9 -35.5 -0.2 11.0 6.2 72 74 A R H X S+ 0 0 95 -4,-1.6 4,-3.7 2,-0.2 -2,-0.2 0.959 117.1 39.2 -70.7 -52.1 -3.2 9.1 7.8 73 75 A K H < S+ 0 0 12 -4,-2.7 -2,-0.2 1,-0.2 6,-0.2 0.822 121.6 46.1 -67.1 -31.1 -1.9 5.6 7.0 74 76 A M H < S+ 0 0 61 -4,-3.4 -1,-0.2 -5,-0.3 -2,-0.2 0.830 120.9 37.4 -79.3 -34.8 1.6 6.7 7.8 75 77 A K H < S+ 0 0 176 -4,-2.1 3,-0.3 -5,-0.3 -2,-0.2 0.840 126.7 36.8 -84.3 -37.1 0.6 8.5 11.0 76 78 A D S >< S+ 0 0 75 -4,-3.7 3,-2.3 -5,-0.2 6,-0.2 0.256 76.6 122.7 -97.3 10.0 -2.0 6.0 12.1 77 79 A T T 3 + 0 0 9 1,-0.3 -1,-0.2 -5,-0.1 68,-0.1 0.674 66.5 70.6 -45.8 -15.0 0.1 3.1 10.8 78 80 A D T 3 S+ 0 0 113 -3,-0.3 2,-0.4 66,-0.1 -1,-0.3 0.135 73.3 122.2 -90.3 19.7 -0.3 2.0 14.4 79 81 A S <> - 0 0 35 -3,-2.3 4,-2.8 -6,-0.2 5,-0.2 -0.717 58.9-147.9 -87.5 129.5 -4.0 1.2 13.7 80 82 A E H > S+ 0 0 111 -2,-0.4 4,-3.1 1,-0.2 5,-0.2 0.896 100.5 50.6 -60.7 -41.4 -5.0 -2.4 14.4 81 83 A E H > S+ 0 0 101 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.922 112.5 45.5 -63.5 -44.9 -7.6 -2.2 11.6 82 84 A E H > S+ 0 0 66 -6,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.914 117.1 44.7 -65.3 -43.1 -5.1 -0.9 9.1 83 85 A I H X S+ 0 0 4 -4,-2.8 4,-3.2 2,-0.2 -2,-0.2 0.914 113.5 50.0 -67.0 -43.8 -2.5 -3.5 10.2 84 86 A R H X S+ 0 0 103 -4,-3.1 4,-2.4 -5,-0.2 5,-0.2 0.909 112.3 47.6 -61.5 -42.9 -5.0 -6.3 10.2 85 87 A E H X S+ 0 0 54 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.904 115.1 45.3 -65.1 -42.1 -6.2 -5.3 6.7 86 88 A A H X S+ 0 0 3 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.903 112.2 51.5 -68.2 -42.0 -2.6 -5.1 5.4 87 89 A F H X S+ 0 0 33 -4,-3.2 4,-2.8 2,-0.2 -2,-0.2 0.936 113.2 44.1 -61.1 -47.6 -1.6 -8.4 7.1 88 90 A R H < S+ 0 0 107 -4,-2.4 6,-0.2 2,-0.2 -1,-0.2 0.913 115.9 47.9 -63.9 -43.2 -4.5 -10.3 5.6 89 91 A V H < S+ 0 0 16 -4,-2.2 3,-0.3 -5,-0.2 -2,-0.2 0.927 114.1 46.3 -63.6 -45.8 -4.0 -8.7 2.2 90 92 A F H < S+ 0 0 5 -4,-3.2 2,-1.8 1,-0.3 3,-0.3 0.925 107.5 59.1 -62.7 -45.9 -0.3 -9.4 2.3 91 93 A D >< + 0 0 7 -4,-2.8 3,-1.3 -5,-0.2 -1,-0.3 -0.519 62.4 160.7 -86.0 71.9 -0.8 -13.0 3.4 92 94 A K T 3 S+ 0 0 79 -2,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.869 77.8 51.0 -59.9 -36.5 -2.9 -14.1 0.5 93 95 A D T 3 S- 0 0 91 -3,-0.3 -1,-0.3 4,-0.2 -2,-0.1 0.597 103.4-136.8 -77.1 -10.0 -2.1 -17.7 1.3 94 96 A G < + 0 0 61 -3,-1.3 -2,-0.1 -6,-0.2 -3,-0.1 0.839 62.8 134.0 57.3 33.3 -3.1 -17.0 4.9 95 97 A N S S- 0 0 69 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.606 72.3-121.6 -87.2 -12.8 -0.1 -19.0 6.1 96 98 A G S S+ 0 0 24 1,-0.2 40,-0.4 -9,-0.1 2,-0.4 0.577 82.5 100.1 82.5 10.1 0.8 -16.2 8.6 97 99 A Y - 0 0 113 38,-0.1 2,-0.6 39,-0.1 -2,-0.3 -0.995 63.1-145.0-132.3 133.4 4.2 -15.8 6.9 98 100 A I B -B 134 0B 5 36,-1.7 36,-1.5 -2,-0.4 2,-0.2 -0.867 21.5-171.7-101.4 120.5 5.3 -13.1 4.5 99 101 A S > - 0 0 40 -2,-0.6 4,-2.5 34,-0.2 5,-0.2 -0.536 36.1-110.9-103.2 171.1 7.8 -14.2 1.8 100 102 A A H > S+ 0 0 21 32,-0.3 4,-2.8 2,-0.2 5,-0.2 0.875 118.1 50.9 -68.8 -38.1 9.7 -12.3 -0.8 101 103 A A H > S+ 0 0 46 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.912 114.0 43.7 -66.0 -43.3 7.7 -13.7 -3.7 102 104 A E H > S+ 0 0 15 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.947 117.8 44.1 -67.5 -49.3 4.4 -12.8 -2.0 103 105 A L H X S+ 0 0 8 -4,-2.5 4,-2.9 1,-0.2 5,-0.5 0.951 113.1 50.9 -61.0 -50.0 5.5 -9.4 -0.9 104 106 A R H X S+ 0 0 71 -4,-2.8 4,-1.9 1,-0.3 5,-0.3 0.886 109.1 52.8 -55.6 -39.4 7.1 -8.6 -4.3 105 107 A H H X S+ 0 0 94 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.3 0.863 115.5 40.8 -65.0 -36.1 3.9 -9.7 -6.0 106 108 A V H < S+ 0 0 0 -4,-1.8 4,-0.3 -3,-0.4 -2,-0.2 0.978 117.6 42.4 -76.0 -60.8 1.9 -7.3 -3.8 107 109 A M H >< S+ 0 0 0 -4,-2.9 3,-0.6 1,-0.2 5,-0.3 0.838 120.8 46.4 -55.9 -34.2 4.1 -4.3 -3.8 108 110 A T H >X S+ 0 0 39 -4,-1.9 4,-1.8 -5,-0.5 3,-0.7 0.941 96.3 68.2 -73.6 -49.5 4.7 -4.8 -7.5 109 111 A N T 3< S+ 0 0 65 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.559 80.4 88.0 -49.4 -2.4 1.0 -5.4 -8.4 110 112 A L T <4 S- 0 0 0 -3,-0.6 -1,-0.3 -4,-0.3 3,-0.1 0.060 121.8 -96.1 -85.6 25.4 0.9 -1.7 -7.5 111 113 A G T <4 S+ 0 0 39 -3,-0.7 2,-0.3 1,-0.3 -2,-0.2 0.668 96.3 114.0 70.2 14.0 1.8 -0.8 -11.1 112 114 A E < - 0 0 5 -4,-1.8 2,-0.7 -5,-0.3 -1,-0.3 -0.880 64.2-135.0-119.4 151.3 5.4 -0.5 -9.9 113 115 A K + 0 0 166 -2,-0.3 2,-0.4 -3,-0.1 -5,-0.1 -0.892 27.9 178.5-108.8 105.8 8.5 -2.6 -10.8 114 116 A L - 0 0 16 -2,-0.7 2,-0.1 -10,-0.2 -6,-0.1 -0.849 23.0-127.0-108.8 143.7 10.6 -3.5 -7.8 115 117 A T > - 0 0 41 -2,-0.4 4,-1.5 1,-0.1 3,-0.4 -0.420 30.2-104.8 -84.0 161.9 13.7 -5.7 -7.8 116 118 A D H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.772 121.3 61.6 -55.6 -25.4 14.3 -8.7 -5.6 117 119 A E H > S+ 0 0 153 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.949 99.4 51.3 -67.2 -49.6 16.6 -6.5 -3.6 118 120 A E H > S+ 0 0 7 -3,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.954 113.9 43.3 -52.5 -55.9 13.9 -4.0 -2.6 119 121 A V H X S+ 0 0 1 -4,-1.5 4,-2.5 1,-0.2 5,-0.3 0.905 112.8 53.7 -57.6 -42.9 11.6 -6.7 -1.3 120 122 A D H X S+ 0 0 60 -4,-2.0 4,-3.7 -5,-0.2 5,-0.3 0.878 106.2 53.7 -60.6 -37.7 14.5 -8.4 0.4 121 123 A E H X S+ 0 0 117 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.922 109.2 47.4 -63.3 -44.9 15.4 -5.1 2.1 122 124 A M H X S+ 0 0 20 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.949 123.0 33.7 -62.1 -49.3 11.9 -4.8 3.5 123 125 A I H X S+ 0 0 8 -4,-2.5 4,-3.9 2,-0.2 3,-0.2 0.961 116.9 53.1 -70.7 -53.5 11.8 -8.4 4.7 124 126 A R H < S+ 0 0 201 -4,-3.7 -3,-0.2 -5,-0.3 -2,-0.2 0.882 115.8 42.2 -49.7 -41.8 15.4 -8.7 5.6 125 127 A E H < S+ 0 0 149 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.790 118.9 45.1 -75.8 -28.8 15.0 -5.5 7.7 126 128 A A H < S+ 0 0 7 -4,-1.3 2,-1.1 -3,-0.2 -2,-0.2 0.728 92.9 89.9 -85.5 -24.2 11.7 -6.8 9.1 127 129 A D < - 0 0 11 -4,-3.9 7,-0.1 1,-0.2 -1,-0.1 -0.634 52.4-179.4 -78.7 100.6 13.0 -10.3 9.7 128 130 A I S S+ 0 0 119 -2,-1.1 -1,-0.2 1,-0.2 6,-0.1 0.891 88.2 34.4 -66.2 -41.5 14.3 -10.1 13.3 129 131 A D S S- 0 0 91 4,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.543 105.7-128.3 -90.5 -8.4 15.4 -13.8 13.2 130 132 A G + 0 0 55 -7,-0.2 -2,-0.1 3,-0.1 4,-0.1 0.843 57.8 148.5 64.9 32.9 16.3 -13.6 9.5 131 133 A D S S- 0 0 72 2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.431 70.5-110.7 -78.0 2.2 14.2 -16.7 8.9 132 134 A G S S+ 0 0 37 1,-0.2 2,-0.3 -9,-0.1 -32,-0.3 0.509 93.9 83.1 80.9 4.1 13.5 -15.2 5.4 133 135 A Q S S- 0 0 47 -34,-0.1 2,-0.5 -10,-0.1 -2,-0.4 -0.995 70.7-136.5-141.4 146.4 9.9 -14.6 6.5 134 136 A V B -B 98 0B 4 -36,-1.5 -36,-1.7 -2,-0.3 2,-0.1 -0.900 20.2-153.1-107.1 125.9 8.1 -11.9 8.5 135 137 A N > - 0 0 40 -2,-0.5 4,-2.6 -9,-0.2 5,-0.2 -0.364 33.4 -99.8 -89.0 171.5 5.5 -12.9 11.1 136 138 A Y H > S+ 0 0 87 -40,-0.4 4,-2.9 1,-0.2 5,-0.2 0.910 124.3 53.1 -57.1 -43.9 2.5 -10.9 12.3 137 139 A E H > S+ 0 0 158 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.925 112.6 43.7 -58.4 -45.0 4.5 -9.8 15.4 138 140 A E H > S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.842 112.5 54.3 -69.0 -33.1 7.3 -8.5 13.2 139 141 A F H X S+ 0 0 15 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.928 107.1 49.5 -66.1 -45.8 4.8 -6.9 10.8 140 142 A V H >< S+ 0 0 38 -4,-2.9 3,-0.7 1,-0.2 4,-0.3 0.920 112.2 48.1 -60.1 -44.9 3.1 -5.0 13.6 141 143 A Q H >X S+ 0 0 125 -4,-1.9 3,-0.9 1,-0.3 4,-0.5 0.879 113.7 47.0 -63.6 -38.5 6.5 -3.7 14.8 142 144 A M H 3< S+ 0 0 35 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.553 104.6 63.3 -79.9 -7.4 7.5 -2.7 11.3 143 145 A M T << S+ 0 0 9 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.470 98.8 54.3 -93.3 -3.9 4.1 -1.1 10.8 144 146 A T T <4 S+ 0 0 65 -3,-0.9 -2,-0.2 -4,-0.3 -1,-0.2 0.619 82.0 109.5-101.4 -18.3 4.8 1.5 13.5 145 147 A A < 0 0 37 -4,-0.5 -68,-0.1 -68,-0.1 -3,-0.0 -0.229 360.0 360.0 -58.4 146.7 8.1 2.7 12.0 146 148 A K 0 0 220 -69,-0.0 -1,-0.1 -71,-0.0 -71,-0.1 -0.427 360.0 360.0 -76.1 360.0 8.0 6.2 10.6 147 !* 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 0.0 148 349 B A >> 0 0 8 0, 0.0 3,-3.3 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 -18.9 -3.8 2.5 0.2 149 350 B F H 3> + 0 0 26 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.735 360.0 78.8 -39.8 -22.4 -0.6 2.3 2.3 150 351 B I H 3> S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.900 87.0 54.0 -56.4 -42.5 0.4 -0.1 -0.4 151 352 B I H <> S+ 0 0 3 -3,-3.3 4,-1.8 1,-0.2 -1,-0.2 0.933 110.4 45.9 -59.8 -44.8 1.2 2.7 -2.7 152 353 B W H X S+ 0 0 17 -4,-0.7 4,-2.9 1,-0.2 -1,-0.2 0.892 104.0 63.3 -64.0 -41.4 3.5 4.2 -0.1 153 354 B L H X S+ 0 0 1 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.901 107.4 42.8 -51.3 -44.1 5.1 0.9 0.6 154 355 B A H X S+ 0 0 0 -4,-1.7 4,-3.2 1,-0.2 -1,-0.2 0.881 111.5 54.7 -70.2 -38.5 6.4 0.8 -3.0 155 356 B R H X S+ 0 0 19 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.871 103.6 56.7 -62.7 -37.5 7.4 4.4 -2.9 156 357 B R H X S+ 0 0 97 -4,-2.9 4,-1.1 2,-0.2 -1,-0.2 0.955 116.8 32.8 -59.6 -51.8 9.5 3.8 0.2 157 358 B L H X S+ 0 0 7 -4,-1.4 4,-1.7 -5,-0.2 -2,-0.2 0.891 119.7 52.4 -71.5 -40.7 11.6 1.1 -1.4 158 359 B K H X S+ 0 0 21 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.874 104.7 56.8 -63.0 -37.7 11.5 2.7 -4.8 159 360 B K H < S+ 0 0 66 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.872 106.9 49.4 -61.8 -37.2 12.7 6.0 -3.4 160 361 B G H < S+ 0 0 61 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.864 106.7 55.6 -70.4 -36.3 15.8 4.2 -2.0 161 362 B K H < 0 0 120 -4,-1.7 -2,-0.2 0, 0.0 -1,-0.2 0.920 360.0 360.0 -62.2 -44.8 16.5 2.6 -5.4 162 363 B K < 0 0 203 -4,-2.0 0, 0.0 -5,-0.1 0, 0.0 -0.412 360.0 360.0 -60.1 360.0 16.5 5.9 -7.2