==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN/TRANSFERASE 01-JUN-05 1ZUZ . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.KURSULA,J.VAHOKOSKI,M.WILMANNS . 164 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8909.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 68.9 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 . 5 3.0 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 . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.2 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 1 0 0 1 5 0 0 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 . 1 1 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 . 1 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 4 A L 0 0 161 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.4 25.2 -7.2 35.0 2 5 A T > - 0 0 76 1,-0.1 4,-2.0 0, 0.0 5,-0.1 -0.529 360.0-119.2 -92.8 160.5 27.9 -6.9 32.2 3 6 A E H > S+ 0 0 170 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.857 116.4 56.2 -64.7 -32.0 29.4 -3.8 30.7 4 7 A E H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 106.4 48.8 -66.1 -42.6 28.0 -4.9 27.4 5 8 A Q H > S+ 0 0 74 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.891 112.8 48.7 -61.7 -42.6 24.4 -5.0 28.8 6 9 A I H X S+ 0 0 61 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.927 109.8 51.5 -61.9 -46.2 25.0 -1.5 30.3 7 10 A A H X S+ 0 0 19 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.879 108.9 51.6 -56.8 -40.8 26.4 -0.3 26.9 8 11 A E H X S+ 0 0 26 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.905 109.5 48.8 -63.2 -42.4 23.2 -1.7 25.3 9 12 A F H X S+ 0 0 60 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.922 112.5 49.6 -61.7 -46.4 21.0 0.2 27.8 10 13 A K H X S+ 0 0 105 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.906 109.5 50.2 -56.9 -48.7 23.0 3.4 27.1 11 14 A E H X S+ 0 0 31 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.943 113.8 45.5 -55.9 -51.5 22.7 3.0 23.3 12 15 A A H >X S+ 0 0 3 -4,-2.3 4,-0.9 1,-0.2 3,-0.9 0.938 113.3 49.6 -57.8 -49.4 18.9 2.5 23.6 13 16 A F H >X S+ 0 0 10 -4,-3.0 4,-3.1 1,-0.3 3,-0.8 0.898 108.5 53.7 -57.0 -43.2 18.5 5.5 26.1 14 17 A S H 3< S+ 0 0 72 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.672 97.0 64.9 -71.8 -17.3 20.6 7.7 23.8 15 18 A L H << S+ 0 0 7 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.833 115.1 31.9 -68.2 -32.2 18.3 7.0 20.8 16 19 A F H << S+ 0 0 0 -4,-0.9 2,-2.5 -3,-0.8 -2,-0.2 0.854 107.6 70.2 -87.5 -42.8 15.5 8.7 22.8 17 20 A D >< + 0 0 8 -4,-3.1 3,-1.4 1,-0.2 -1,-0.2 -0.435 63.2 167.7 -79.1 70.8 17.7 11.3 24.6 18 21 A K T 3 S+ 0 0 90 -2,-2.5 -1,-0.2 1,-0.3 6,-0.1 0.828 73.4 44.8 -58.0 -42.1 18.5 13.2 21.4 19 22 A D T 3 S- 0 0 103 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.488 105.0-129.1 -85.4 -1.2 20.0 16.3 23.2 20 23 A G < + 0 0 58 -3,-1.4 -2,-0.1 -6,-0.1 4,-0.1 0.694 66.4 131.1 69.0 22.6 22.1 14.1 25.5 21 24 A D S S- 0 0 94 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.448 77.7-108.2 -90.1 -1.3 21.0 15.8 28.7 22 25 A G S S+ 0 0 34 1,-0.2 40,-0.4 -5,-0.1 2,-0.4 0.460 89.7 89.2 89.2 3.1 20.2 12.6 30.6 23 26 A T - 0 0 35 38,-0.1 2,-0.6 39,-0.0 -2,-0.3 -0.984 66.5-138.7-128.2 144.2 16.4 13.0 30.6 24 27 A I B -A 60 0A 0 36,-2.9 36,-2.3 -2,-0.4 2,-0.1 -0.912 25.2-164.7 -99.9 120.4 13.8 11.8 28.0 25 28 A T > - 0 0 38 -2,-0.6 4,-2.8 -9,-0.2 5,-0.2 -0.455 36.1-106.0 -91.6 171.0 11.1 14.5 27.4 26 29 A T H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.895 124.0 55.9 -62.3 -39.9 7.7 14.1 25.7 27 30 A K H > S+ 0 0 155 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.917 111.7 41.9 -54.2 -47.7 9.3 16.0 22.7 28 31 A E H > S+ 0 0 9 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.918 114.3 49.3 -70.5 -45.9 12.1 13.3 22.5 29 32 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.952 112.6 49.6 -56.7 -48.6 9.8 10.3 23.0 30 33 A G H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.848 105.3 58.1 -57.9 -39.3 7.4 11.7 20.3 31 34 A T H X S+ 0 0 59 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.934 109.0 44.0 -59.5 -46.8 10.3 12.2 17.9 32 35 A V H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.943 114.5 49.2 -63.2 -48.0 11.3 8.5 18.1 33 36 A M H <>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 -2,-0.2 0.864 110.3 51.1 -64.6 -36.5 7.7 7.3 17.8 34 37 A R H ><5S+ 0 0 114 -4,-2.8 3,-2.0 1,-0.2 -1,-0.2 0.893 104.8 56.5 -62.5 -41.6 7.1 9.6 14.8 35 38 A S H 3<5S+ 0 0 41 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.805 106.0 52.6 -62.3 -28.2 10.2 8.3 13.0 36 39 A L T 3<5S- 0 0 16 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.169 127.9 -97.6 -93.5 16.5 8.6 4.8 13.4 37 40 A G T < 5S+ 0 0 61 -3,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.413 84.3 120.8 91.0 -0.1 5.3 5.9 11.8 38 41 A Q < - 0 0 36 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.570 46.7-155.7 -98.5 163.0 3.2 6.6 14.9 39 42 A N + 0 0 133 -2,-0.2 2,-0.1 -5,-0.0 -5,-0.1 -0.445 18.8 175.8-138.8 62.6 1.5 9.8 15.9 40 43 A P - 0 0 11 0, 0.0 -6,-0.1 0, 0.0 124,-0.0 -0.407 29.7-118.0 -70.8 146.1 0.9 10.0 19.7 41 44 A T > - 0 0 72 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.274 25.8-108.1 -72.8 163.4 -0.5 13.2 21.2 42 45 A E H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.907 122.3 49.8 -57.5 -43.5 1.4 15.2 23.8 43 46 A A H > S+ 0 0 64 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.906 109.2 51.0 -64.5 -41.9 -1.0 14.0 26.5 44 47 A E H > S+ 0 0 96 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.925 110.2 50.2 -59.5 -45.5 -0.5 10.3 25.4 45 48 A L H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.912 109.9 50.8 -57.4 -44.7 3.3 10.8 25.6 46 49 A Q H X S+ 0 0 56 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.903 107.2 53.0 -61.8 -40.4 2.9 12.3 29.1 47 50 A D H X S+ 0 0 99 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.886 107.5 52.7 -61.2 -39.2 0.8 9.3 30.2 48 51 A M H X S+ 0 0 14 -4,-2.0 4,-0.6 2,-0.2 3,-0.2 0.926 112.7 44.3 -59.0 -48.8 3.6 7.0 28.9 49 52 A I H >X S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 4,-1.2 0.932 106.8 59.1 -60.8 -49.3 6.1 9.0 31.0 50 53 A N H 3< S+ 0 0 83 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.796 94.5 66.4 -53.9 -33.5 3.9 9.1 34.1 51 54 A E H 3< S+ 0 0 97 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.847 119.2 21.1 -55.9 -35.0 3.8 5.3 34.2 52 55 A V H << S+ 0 0 7 -3,-1.6 2,-2.3 -4,-0.6 -1,-0.2 0.382 88.5 115.2-116.2 1.3 7.5 5.1 35.0 53 56 A D >< + 0 0 21 -4,-1.2 3,-1.3 1,-0.2 5,-0.1 -0.447 34.2 167.3 -77.8 74.5 8.2 8.7 36.4 54 57 A A T 3 S+ 0 0 97 -2,-2.3 -1,-0.2 1,-0.3 6,-0.1 0.795 73.4 46.0 -64.5 -31.2 9.1 7.5 39.9 55 58 A D T 3 S- 0 0 89 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.440 103.5-130.5 -93.5 -0.1 10.5 10.8 41.1 56 59 A G < + 0 0 60 -3,-1.3 -2,-0.1 1,-0.1 -3,-0.1 0.584 67.8 127.4 67.8 15.4 7.6 12.8 39.6 57 60 A N S S- 0 0 93 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.423 78.1-113.4 -84.8 3.5 9.7 15.4 37.7 58 61 A G S S+ 0 0 22 1,-0.2 2,-0.3 -5,-0.1 -32,-0.2 0.384 85.4 79.5 85.5 -3.4 7.7 14.8 34.5 59 62 A T S S- 0 0 28 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.880 79.7-105.9-132.0 166.7 10.6 13.2 32.4 60 63 A I B -A 24 0A 0 -36,-2.3 -36,-2.9 -2,-0.3 2,-0.1 -0.830 32.3-171.0 -97.4 118.3 12.3 9.8 32.1 61 64 A D > - 0 0 41 -2,-0.6 4,-2.2 -38,-0.2 5,-0.2 -0.389 43.9 -82.9 -95.2 179.9 15.8 9.4 33.6 62 65 A F H > S+ 0 0 58 -40,-0.4 4,-2.1 1,-0.2 5,-0.1 0.918 126.8 42.0 -55.6 -53.4 18.1 6.4 33.2 63 66 A P H > S+ 0 0 75 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.862 113.8 53.5 -63.6 -33.3 16.7 4.1 35.9 64 67 A E H > S+ 0 0 8 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.841 108.7 50.9 -66.4 -33.3 13.1 5.0 34.9 65 68 A F H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.898 106.6 53.4 -67.0 -43.2 13.9 4.0 31.3 66 69 A L H X S+ 0 0 59 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.912 108.8 50.5 -56.1 -41.6 15.3 0.7 32.6 67 70 A T H X S+ 0 0 53 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.897 108.5 51.1 -62.2 -44.2 12.0 0.2 34.3 68 71 A M H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.922 112.6 46.1 -59.2 -46.0 10.1 1.0 31.1 69 72 A M H X S+ 0 0 41 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.890 111.3 53.3 -65.1 -38.6 12.2 -1.5 29.2 70 73 A A H < S+ 0 0 76 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.924 122.7 27.9 -61.2 -47.1 11.7 -4.1 32.1 71 74 A R H < S+ 0 0 132 -4,-2.7 -2,-0.2 1,-0.1 -3,-0.2 0.988 122.1 45.5 -71.8 -70.0 7.9 -3.8 31.9 72 75 A K H < S+ 0 0 38 -4,-2.2 2,-0.4 -5,-0.2 3,-0.2 0.265 109.2 63.7 -77.8 9.4 7.1 -2.8 28.4 73 76 A M S < S+ 0 0 20 -4,-0.7 82,-0.0 1,-0.2 83,-0.0 -0.997 101.2 27.7-132.3 144.2 9.4 -5.4 26.9 74 77 A K S S+ 0 0 152 -2,-0.4 -1,-0.2 0, 0.0 -2,-0.1 0.881 73.2 137.4 60.3 47.8 8.9 -9.1 27.4 75 78 A D S S- 0 0 98 -3,-0.2 -2,-0.1 0, 0.0 -3,-0.1 0.920 88.1 -83.5 -66.9 -78.2 5.2 -8.4 27.8 76 79 A T - 0 0 118 2,-0.0 -3,-0.0 0, 0.0 0, 0.0 0.177 47.2-135.0-178.1 46.7 4.8 -11.5 25.6 77 80 A D - 0 0 22 1,-0.1 2,-0.0 4,-0.1 -4,-0.0 0.403 24.1-154.6 -21.8 109.3 5.2 -10.4 21.9 78 81 A S > - 0 0 45 1,-0.1 4,-1.8 4,-0.0 5,-0.2 -0.221 29.7 -95.8 -80.4 174.6 2.4 -12.1 19.9 79 82 A E H > S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.927 120.6 50.8 -55.0 -51.9 2.4 -12.9 16.2 80 83 A E H > S+ 0 0 138 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.905 111.5 45.6 -60.1 -47.1 0.6 -9.7 15.2 81 84 A E H > S+ 0 0 47 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.820 109.9 54.5 -72.0 -29.1 2.8 -7.3 17.0 82 85 A I H X S+ 0 0 28 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.888 108.3 51.0 -64.8 -38.2 6.0 -9.0 15.8 83 86 A R H X S+ 0 0 114 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.871 105.1 56.6 -65.3 -37.3 4.6 -8.5 12.3 84 87 A E H X S+ 0 0 70 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.912 108.9 46.1 -57.6 -45.2 4.1 -4.8 13.2 85 88 A A H >X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 3,-0.7 0.918 110.9 51.8 -65.9 -44.3 7.8 -4.5 14.0 86 89 A F H >X S+ 0 0 5 -4,-2.4 4,-2.9 1,-0.2 3,-0.7 0.938 105.4 56.6 -55.2 -48.2 8.8 -6.3 10.8 87 90 A R H 3< S+ 0 0 155 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.758 101.4 57.4 -54.5 -31.2 6.6 -3.9 8.8 88 91 A V H << S+ 0 0 30 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.885 113.2 39.2 -66.4 -39.9 8.6 -1.0 10.3 89 92 A F H << S+ 0 0 0 -4,-1.3 2,-2.0 -3,-0.7 -2,-0.2 0.843 105.6 66.8 -79.3 -37.9 11.8 -2.5 8.8 90 93 A D S >< S+ 0 0 7 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 -0.533 70.2 175.9 -82.9 70.7 10.2 -3.6 5.6 91 94 A K T 3 S+ 0 0 135 -2,-2.0 -1,-0.2 1,-0.3 6,-0.1 0.880 76.0 39.3 -46.8 -54.3 9.7 -0.0 4.5 92 95 A D T 3 S- 0 0 106 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.658 104.3-131.3 -78.3 -12.9 8.3 -0.8 1.0 93 96 A G < + 0 0 51 -3,-1.0 -2,-0.1 -6,-0.1 4,-0.1 0.771 63.5 134.7 73.0 28.3 6.3 -3.7 2.4 94 97 A N S S- 0 0 81 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.378 80.2-104.1 -86.5 2.3 7.3 -6.2 -0.3 95 98 A G S S+ 0 0 22 -5,-0.2 40,-0.5 1,-0.1 2,-0.4 0.425 94.6 90.2 93.6 1.4 8.0 -8.9 2.4 96 99 A Y E -B 134 0B 94 38,-0.2 2,-0.7 39,-0.1 -2,-0.3 -0.978 67.1-141.6-137.5 117.2 11.8 -8.6 2.3 97 100 A I E -B 133 0B 0 36,-3.5 36,-2.6 -2,-0.4 2,-0.2 -0.719 24.8-158.3 -76.9 114.6 14.0 -6.3 4.4 98 101 A S > - 0 0 28 -2,-0.7 4,-2.4 34,-0.2 5,-0.2 -0.510 30.5-109.5 -83.7 160.7 16.8 -5.1 2.2 99 102 A A H > S+ 0 0 26 32,-0.4 4,-2.7 1,-0.2 5,-0.2 0.897 121.0 53.8 -52.7 -42.6 20.1 -3.8 3.5 100 103 A A H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.869 109.3 46.4 -63.7 -41.0 19.0 -0.3 2.3 101 104 A E H > S+ 0 0 16 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.853 112.0 50.9 -67.2 -39.4 15.7 -0.4 4.3 102 105 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.955 110.5 49.9 -62.1 -49.5 17.5 -1.7 7.4 103 106 A R H X S+ 0 0 112 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.863 109.0 54.4 -51.8 -42.5 19.9 1.2 7.0 104 107 A H H X S+ 0 0 62 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.903 109.0 43.3 -65.6 -47.8 17.0 3.6 6.7 105 108 A V H X S+ 0 0 8 -4,-2.0 4,-3.0 2,-0.2 6,-0.2 0.935 114.7 51.2 -65.0 -43.9 15.1 2.7 9.9 106 109 A M H X>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 4,-1.1 0.917 113.4 44.8 -59.7 -44.9 18.4 2.6 11.9 107 110 A T H <5S+ 0 0 66 -4,-2.4 3,-0.5 2,-0.2 -1,-0.2 0.914 112.1 51.6 -64.7 -44.3 19.3 6.0 10.7 108 111 A N H <5S+ 0 0 71 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.899 108.0 53.7 -57.9 -42.4 15.8 7.3 11.3 109 112 A L H <5S- 0 0 0 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.769 125.5-102.2 -60.3 -30.9 16.0 6.0 14.9 110 113 A G T <5S+ 0 0 17 -4,-1.1 -3,-0.2 -3,-0.5 2,-0.2 0.404 75.5 138.3 115.0 2.1 19.3 7.8 15.5 111 114 A E < - 0 0 11 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.4 -0.511 39.6-151.8 -74.5 147.9 21.8 5.0 15.0 112 115 A K + 0 0 166 -2,-0.2 2,-0.3 2,-0.0 -5,-0.0 -0.982 31.9 138.9-127.4 117.2 24.9 5.7 13.1 113 116 A L - 0 0 26 -2,-0.5 2,-0.1 -10,-0.1 -6,-0.0 -0.992 47.5-102.1-159.2 153.3 26.6 2.9 11.2 114 117 A T >> - 0 0 90 -2,-0.3 4,-1.5 1,-0.1 3,-0.7 -0.332 34.9-112.9 -75.4 155.4 28.4 2.2 7.9 115 118 A D H 3> S+ 0 0 88 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.804 120.0 64.6 -54.5 -30.1 26.8 0.3 5.1 116 119 A E H 3> S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 100.8 47.5 -56.4 -49.0 29.4 -2.4 6.0 117 120 A E H <> S+ 0 0 56 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.821 112.2 50.3 -65.2 -32.4 27.7 -2.9 9.4 118 121 A V H X S+ 0 0 2 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.935 108.8 50.6 -71.0 -48.8 24.3 -3.1 7.8 119 122 A D H X S+ 0 0 56 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.887 108.8 53.8 -53.2 -43.9 25.4 -5.7 5.3 120 123 A E H X S+ 0 0 98 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.936 108.6 47.9 -57.7 -50.6 26.9 -7.7 8.1 121 124 A M H X S+ 0 0 8 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.909 113.2 48.4 -56.6 -47.7 23.6 -7.7 10.0 122 125 A I H X S+ 0 0 5 -4,-2.5 4,-1.6 1,-0.2 3,-0.4 0.945 111.2 48.6 -57.2 -53.9 21.7 -8.7 6.9 123 126 A R H < S+ 0 0 151 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.827 107.7 57.3 -59.2 -32.6 24.1 -11.6 6.0 124 127 A E H < S+ 0 0 127 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.893 115.2 35.2 -63.0 -42.6 23.8 -12.8 9.6 125 128 A A H < S+ 0 0 3 -4,-1.5 2,-1.8 -3,-0.4 -2,-0.2 0.595 90.6 102.0 -88.2 -14.4 20.0 -13.2 9.4 126 129 A D < + 0 0 26 -4,-1.6 3,-0.2 1,-0.2 5,-0.1 -0.511 38.1 162.1 -81.8 82.8 19.9 -14.3 5.7 127 130 A I S S+ 0 0 123 -2,-1.8 -1,-0.2 1,-0.2 6,-0.1 0.896 72.8 46.0 -66.3 -43.5 19.3 -18.1 6.2 128 131 A D S S- 0 0 91 4,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.532 106.4-122.5 -88.4 -7.9 18.1 -18.8 2.6 129 132 A G S S+ 0 0 57 -3,-0.2 -2,-0.1 3,-0.2 -3,-0.1 0.507 72.5 123.0 91.5 10.1 20.8 -16.8 0.8 130 133 A D S S- 0 0 75 2,-0.2 3,-0.1 1,-0.0 -1,-0.1 0.375 81.6-112.1 -85.1 4.5 18.9 -14.2 -1.3 131 134 A G S S+ 0 0 41 1,-0.3 -32,-0.4 -5,-0.1 2,-0.3 0.583 88.8 84.0 76.6 10.7 20.7 -11.2 0.4 132 135 A Q S S- 0 0 58 -34,-0.1 2,-0.5 -10,-0.1 -1,-0.3 -0.840 77.2-115.4-134.6 170.1 17.5 -10.0 2.1 133 136 A V E -B 97 0B 0 -36,-2.6 -36,-3.5 -2,-0.3 -7,-0.1 -0.941 28.2-169.7-115.8 113.7 15.6 -10.7 5.3 134 137 A N E > -B 96 0B 31 -2,-0.5 4,-2.2 -38,-0.2 -38,-0.2 -0.265 41.9 -90.0 -87.6-178.1 12.1 -12.1 5.1 135 138 A Y H > S+ 0 0 31 -40,-0.5 4,-2.6 2,-0.2 5,-0.2 0.928 124.3 49.1 -62.1 -49.5 9.6 -12.5 8.0 136 139 A E H > S+ 0 0 144 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.934 113.3 47.5 -56.1 -48.8 10.7 -16.0 9.0 137 140 A E H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.883 110.7 52.7 -59.7 -41.7 14.4 -15.1 9.1 138 141 A F H X S+ 0 0 1 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.928 111.1 46.0 -58.3 -51.0 13.6 -11.9 11.1 139 142 A V H < S+ 0 0 35 -4,-2.6 4,-0.4 1,-0.2 3,-0.3 0.898 112.7 50.9 -59.5 -44.3 11.7 -13.9 13.7 140 143 A Q H >X S+ 0 0 83 -4,-2.5 3,-1.1 -5,-0.2 4,-0.5 0.862 103.6 58.7 -64.7 -36.4 14.5 -16.5 13.9 141 144 A M H >< S+ 0 0 36 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.822 98.1 59.8 -61.7 -35.2 17.2 -13.8 14.3 142 145 A M T 3< S+ 0 0 34 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.640 99.8 56.8 -72.4 -15.3 15.6 -12.5 17.5 143 146 A T T <4 S+ 0 0 112 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.618 91.1 90.3 -87.2 -17.1 15.9 -16.0 19.2 144 147 A A << 0 0 53 -3,-0.8 -3,-0.0 -4,-0.5 7,-0.0 -0.347 360.0 360.0 -76.3 162.2 19.7 -16.0 18.7 145 148 A K 0 0 215 -2,-0.1 3,-0.1 2,-0.0 -1,-0.1 0.956 360.0 360.0 -47.2 360.0 22.2 -14.6 21.3 146 !* 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 0.0 147 302 B R 0 0 142 0, 0.0 2,-0.9 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-165.7 26.8 -7.4 20.0 148 303 B R > + 0 0 99 1,-0.2 4,-2.3 -3,-0.1 5,-0.2 -0.709 360.0 164.4-104.2 77.0 23.1 -7.7 19.1 149 304 B R H > S+ 0 0 58 -2,-0.9 4,-2.3 1,-0.2 5,-0.2 0.971 78.3 41.9 -58.5 -53.8 22.5 -4.7 16.8 150 305 B W H > S+ 0 0 5 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.879 113.0 52.8 -66.2 -37.5 19.2 -6.0 15.3 151 306 B K H > S+ 0 0 71 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.928 110.0 48.8 -64.0 -42.9 17.9 -7.3 18.7 152 307 B L H X S+ 0 0 11 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.948 115.5 43.2 -59.5 -50.2 18.5 -3.9 20.3 153 308 B D H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.926 112.6 52.5 -64.9 -43.7 16.8 -2.0 17.5 154 309 B F H X S+ 0 0 21 -4,-3.2 4,-3.1 1,-0.2 -1,-0.2 0.909 107.1 55.0 -50.9 -45.6 14.0 -4.6 17.4 155 310 B S H X S+ 0 0 10 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.896 107.9 47.9 -56.8 -44.4 13.5 -4.0 21.1 156 311 B I H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.892 113.2 47.5 -66.2 -41.4 13.1 -0.2 20.6 157 312 B V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.917 113.6 47.4 -64.7 -43.6 10.6 -0.8 17.8 158 313 B S H X S+ 0 0 1 -4,-3.1 4,-2.4 -5,-0.2 -2,-0.2 0.920 111.0 52.4 -67.5 -38.1 8.7 -3.3 19.9 159 314 B L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.955 110.4 47.6 -56.7 -52.4 8.7 -0.9 22.9 160 315 B C H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.882 111.5 49.6 -59.5 -44.8 7.3 1.9 20.8 161 316 B N H < S+ 0 0 19 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.902 112.7 48.9 -56.6 -43.4 4.6 -0.3 19.4 162 317 B H H < S+ 0 0 22 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.851 105.7 57.2 -67.6 -35.7 3.8 -1.4 23.0 163 318 B L H < S+ 0 0 9 -4,-2.6 2,-2.2 1,-0.2 -1,-0.2 0.842 91.6 69.6 -66.9 -37.6 3.7 2.2 24.4 164 319 B T < 0 0 45 -4,-1.5 -1,-0.2 -5,-0.2 -119,-0.0 -0.604 360.0 360.0 -78.3 77.8 1.0 3.2 21.9 165 320 B R 0 0 273 -2,-2.2 -1,-0.2 0, 0.0 -2,-0.1 0.935 360.0 360.0 -81.3 360.0 -1.4 1.0 23.8