==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN/TRANSFERASE 29-JUN-12 2LV6 . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.V.GRISHAEV,N.J.ANTHIS,G.M.CLORE . 174 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 71.8 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 3.4 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 . 15 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 49.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 1 3 2 0 1 1 0 1 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 1 A A 0 0 123 0, 0.0 2,-0.4 0, 0.0 76,-0.0 0.000 360.0 360.0 360.0 162.6 -4.1 3.1 -20.7 2 2 A D - 0 0 155 71,-0.1 2,-0.1 3,-0.0 3,-0.1 -0.958 360.0-119.8-120.0 133.1 -0.9 5.0 -20.0 3 3 A Q - 0 0 178 -2,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.415 39.9 -98.7 -68.9 140.3 2.4 3.6 -18.8 4 4 A L - 0 0 55 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.295 38.0-130.3 -60.0 140.0 3.7 4.9 -15.5 5 5 A T > - 0 0 56 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.546 17.3-116.5 -90.7 158.8 6.3 7.6 -15.7 6 6 A E H > S+ 0 0 147 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.806 117.3 54.5 -65.9 -27.9 9.6 7.5 -13.8 7 7 A E H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 109.1 47.3 -70.8 -39.6 8.6 10.7 -11.9 8 8 A Q H > S+ 0 0 44 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.916 109.9 52.8 -66.8 -41.5 5.4 9.0 -10.8 9 9 A I H X S+ 0 0 62 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.915 109.7 49.2 -60.9 -41.6 7.2 5.8 -9.8 10 10 A A H X S+ 0 0 61 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.912 111.5 48.7 -62.7 -43.6 9.6 7.9 -7.6 11 11 A E H X S+ 0 0 32 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.925 113.6 46.9 -62.7 -42.7 6.6 9.8 -6.0 12 12 A F H X S+ 0 0 14 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.821 107.0 56.9 -72.6 -29.6 4.9 6.5 -5.3 13 13 A K H X S+ 0 0 144 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.902 108.3 48.1 -64.3 -41.3 8.1 5.0 -3.9 14 14 A E H X S+ 0 0 70 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.912 111.9 49.3 -65.8 -40.3 8.2 7.8 -1.5 15 15 A A H >X S+ 0 0 0 -4,-2.1 4,-0.9 1,-0.2 3,-0.8 0.917 108.3 53.5 -61.6 -43.6 4.5 7.2 -0.6 16 16 A F H >X S+ 0 0 12 -4,-2.9 4,-2.5 1,-0.2 3,-0.7 0.877 100.8 62.0 -57.9 -39.1 5.2 3.5 -0.1 17 17 A S H 3< S+ 0 0 76 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.805 95.4 60.1 -59.7 -32.8 7.9 4.3 2.3 18 18 A L H << S+ 0 0 19 -4,-0.9 -1,-0.2 -3,-0.8 3,-0.2 0.885 111.8 38.8 -64.7 -35.7 5.4 6.0 4.6 19 19 A F H << S+ 0 0 1 -4,-0.9 2,-1.8 -3,-0.7 9,-0.2 0.862 107.5 65.1 -78.6 -38.5 3.5 2.7 5.0 20 20 A D >< + 0 0 13 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 -0.487 62.3 162.9 -88.4 69.6 6.6 0.5 5.1 21 21 A K T 3 S+ 0 0 97 -2,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.749 72.9 49.5 -63.8 -28.3 7.9 1.9 8.4 22 22 A D T 3 S- 0 0 104 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.497 103.8-130.6 -90.8 -0.4 10.2 -1.1 9.0 23 23 A G < + 0 0 60 -3,-1.5 -2,-0.1 -6,-0.2 -3,-0.1 0.719 65.2 133.6 61.9 24.6 11.7 -0.8 5.5 24 24 A D S S- 0 0 89 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.344 76.6-111.0 -88.3 7.0 11.2 -4.6 4.9 25 25 A G S S+ 0 0 32 1,-0.2 40,-0.6 -5,-0.2 2,-0.3 0.536 86.7 87.1 81.4 7.6 9.7 -3.9 1.5 26 26 A T E -A 64 0A 30 38,-0.2 2,-0.6 39,-0.1 -2,-0.3 -0.971 67.0-135.8-137.6 151.9 6.2 -5.0 2.3 27 27 A I E -A 63 0A 3 36,-2.3 36,-2.3 -2,-0.3 2,-0.1 -0.953 27.7-166.4-105.4 121.4 3.1 -3.4 3.8 28 28 A T > - 0 0 36 -2,-0.6 4,-2.7 -9,-0.2 5,-0.2 -0.419 37.8-102.8 -97.3 174.0 1.3 -5.6 6.4 29 29 A T H > S+ 0 0 23 32,-0.3 4,-2.9 1,-0.2 5,-0.2 0.874 124.3 55.4 -63.5 -34.3 -2.1 -5.3 8.0 30 30 A K H > S+ 0 0 163 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.932 110.3 44.4 -62.6 -46.2 -0.4 -3.9 11.0 31 31 A E H > S+ 0 0 15 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.901 115.6 46.3 -66.0 -42.0 1.3 -1.2 9.0 32 32 A L H X S+ 0 0 6 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.904 113.2 50.5 -66.0 -41.7 -1.9 -0.3 7.0 33 33 A G H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.2 5,-0.3 0.868 106.3 55.2 -63.3 -37.9 -3.9 -0.3 10.2 34 34 A T H X S+ 0 0 60 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.936 111.6 43.9 -61.8 -45.4 -1.4 2.0 11.9 35 35 A V H X S+ 0 0 0 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.927 113.8 50.1 -67.3 -43.4 -1.8 4.5 9.0 36 36 A M H ><>S+ 0 0 1 -4,-2.6 5,-2.0 1,-0.2 3,-0.9 0.922 111.1 47.7 -61.7 -45.6 -5.5 4.3 8.9 37 37 A R H ><5S+ 0 0 119 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.883 106.2 58.8 -63.9 -34.6 -6.0 4.8 12.6 38 38 A S H 3<5S+ 0 0 37 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.727 103.7 53.6 -66.1 -19.2 -3.7 7.7 12.4 39 39 A L T <<5S- 0 0 16 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.133 128.0 -97.7-100.2 17.1 -6.1 9.2 9.9 40 40 A G T < 5S+ 0 0 56 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.461 81.2 131.4 85.2 2.7 -9.1 8.8 12.2 41 41 A Q < - 0 0 51 -5,-2.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.429 46.0-152.2 -85.0 163.1 -10.5 5.6 10.8 42 42 A N + 0 0 143 -2,-0.1 -5,-0.1 2,-0.0 -1,-0.1 -0.357 24.7 173.0-133.5 59.4 -11.4 2.6 12.9 43 43 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -6,-0.0 -0.218 26.4-129.1 -68.6 155.0 -11.0 -0.5 10.8 44 44 A T > - 0 0 89 1,-0.1 4,-2.6 0, 0.0 5,-0.2 -0.594 27.9-108.7 -94.0 162.7 -11.3 -4.0 12.1 45 45 A E H > S+ 0 0 103 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.866 121.9 54.8 -58.3 -37.1 -8.7 -6.7 11.5 46 46 A A H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 108.3 48.2 -62.4 -45.5 -11.1 -8.4 9.1 47 47 A E H > S+ 0 0 71 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.934 110.3 51.7 -60.5 -42.9 -11.5 -5.2 7.2 48 48 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.920 109.3 49.5 -62.6 -39.8 -7.7 -4.7 7.0 49 49 A Q H X S+ 0 0 61 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.900 110.5 50.2 -65.4 -39.5 -7.1 -8.1 5.7 50 50 A D H X S+ 0 0 99 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.891 108.4 53.5 -62.8 -41.2 -9.8 -7.6 3.0 51 51 A M H X S+ 0 0 11 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.946 113.3 42.0 -60.7 -48.0 -8.1 -4.3 2.0 52 52 A I H >X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 3,-1.2 0.935 109.0 59.7 -62.9 -45.4 -4.8 -6.0 1.5 53 53 A N H 3< S+ 0 0 82 -4,-2.8 3,-0.2 1,-0.3 -1,-0.2 0.863 97.4 60.9 -52.3 -38.6 -6.3 -9.0 -0.2 54 54 A E H 3< S+ 0 0 137 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.846 117.2 28.5 -60.2 -34.9 -7.8 -6.8 -2.9 55 55 A V H << S+ 0 0 19 -3,-1.2 2,-1.7 -4,-0.8 -1,-0.2 0.491 92.4 106.3-105.7 -3.8 -4.3 -5.6 -4.0 56 56 A D >< + 0 0 15 -4,-1.6 3,-1.7 -3,-0.2 5,-0.2 -0.487 42.3 176.2 -79.7 80.1 -2.3 -8.7 -3.0 57 57 A A T 3 S+ 0 0 95 -2,-1.7 -1,-0.2 1,-0.3 6,-0.1 0.758 77.2 43.4 -58.8 -31.3 -1.6 -10.3 -6.4 58 58 A D T 3 S- 0 0 94 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.413 101.8-126.1-100.9 6.0 0.5 -13.1 -5.1 59 59 A G < + 0 0 63 -3,-1.7 -2,-0.1 -6,-0.1 -6,-0.1 0.686 69.0 129.2 64.2 21.4 -1.6 -14.1 -2.1 60 60 A N S S- 0 0 89 2,-0.3 -1,-0.1 -7,-0.0 3,-0.1 0.405 78.2-112.4 -89.4 3.5 1.2 -13.8 0.4 61 61 A G S S+ 0 0 22 1,-0.2 2,-0.3 -5,-0.2 -32,-0.3 0.398 86.9 75.8 86.4 -2.5 -0.8 -11.6 2.8 62 62 A T S S- 0 0 27 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.891 76.9-113.1-135.1 167.7 1.2 -8.4 2.3 63 63 A I E -A 27 0A 6 -36,-2.3 -36,-2.3 -2,-0.3 2,-0.1 -0.895 27.6-164.6-106.7 122.7 1.7 -5.6 -0.3 64 64 A D E > -A 26 0A 45 -2,-0.6 4,-2.4 -38,-0.2 5,-0.2 -0.467 38.2 -97.7 -96.2 174.2 5.0 -5.3 -2.1 65 65 A F H > S+ 0 0 46 -40,-0.6 4,-2.7 1,-0.2 5,-0.2 0.922 123.3 51.6 -61.9 -44.8 6.1 -2.3 -4.2 66 66 A P H > S+ 0 0 81 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.905 111.9 47.5 -54.4 -43.7 5.1 -3.8 -7.5 67 67 A E H > S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.886 110.9 52.4 -64.1 -37.4 1.6 -4.5 -6.1 68 68 A F H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.897 107.3 52.5 -64.9 -41.3 1.4 -1.0 -4.7 69 69 A L H X S+ 0 0 28 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.903 107.6 50.5 -62.5 -43.1 2.3 0.4 -8.1 70 70 A T H X S+ 0 0 100 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.906 111.1 50.4 -60.2 -39.6 -0.5 -1.5 -9.8 71 71 A M H X S+ 0 0 16 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.909 110.2 48.8 -65.8 -40.4 -2.8 -0.2 -7.1 72 72 A M H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.855 108.7 52.7 -70.5 -33.7 -1.7 3.4 -7.8 73 73 A A H X S+ 0 0 31 -4,-2.2 4,-3.3 2,-0.2 -1,-0.2 0.920 110.9 48.5 -65.1 -42.4 -2.1 3.1 -11.5 74 74 A R H X S+ 0 0 144 -4,-2.0 4,-3.7 2,-0.2 -2,-0.2 0.942 110.1 50.9 -60.0 -50.2 -5.6 1.9 -10.9 75 75 A K H < S+ 0 0 21 -4,-2.6 6,-1.1 1,-0.2 5,-0.3 0.921 118.1 38.5 -55.0 -44.8 -6.3 4.8 -8.5 76 76 A M H < S+ 0 0 99 -4,-2.5 -1,-0.2 4,-0.2 -2,-0.2 0.880 118.7 50.0 -71.9 -40.0 -5.1 7.3 -11.1 77 77 A K H < S+ 0 0 113 -4,-3.3 2,-0.6 -5,-0.2 -2,-0.2 0.942 95.9 73.4 -65.6 -51.0 -6.7 5.3 -14.0 78 78 A D S >< S- 0 0 56 -4,-3.7 2,-1.5 -5,-0.2 3,-1.3 -0.554 131.2 -49.4 -71.2 113.7 -10.2 5.0 -12.5 79 79 A T T 3 S- 0 0 131 -2,-0.6 -3,-0.1 1,-0.2 -1,-0.1 -0.395 99.0 -73.0 60.0 -89.1 -11.7 8.4 -12.8 80 80 A D T 3 - 0 0 93 -2,-1.5 -1,-0.2 -5,-0.3 -4,-0.2 0.224 55.1-114.1 170.1 37.0 -8.7 10.2 -11.2 81 81 A S < + 0 0 14 -3,-1.3 -1,-0.2 -6,-1.1 -5,-0.0 -0.213 55.4 146.1 51.7-145.7 -8.5 9.6 -7.5 82 82 A E > + 0 0 72 -3,-0.1 4,-2.1 0, 0.0 5,-0.1 -0.369 60.7 74.1 112.8 -46.3 -9.2 12.9 -5.5 83 83 A E H > S+ 0 0 67 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.877 90.8 60.9 -63.9 -37.6 -11.0 11.4 -2.4 84 84 A E H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.917 108.2 42.8 -49.5 -50.5 -7.6 10.1 -1.2 85 85 A I H > S+ 0 0 30 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.891 112.3 52.9 -72.2 -38.6 -6.2 13.6 -1.0 86 86 A R H X S+ 0 0 68 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.936 110.4 46.8 -62.2 -45.7 -9.4 15.1 0.5 87 87 A E H X S+ 0 0 33 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.889 111.3 53.2 -65.4 -35.2 -9.4 12.5 3.3 88 88 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.3 3,-0.5 0.940 106.3 52.0 -63.7 -44.9 -5.7 13.1 3.9 89 89 A F H X S+ 0 0 15 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.926 106.7 54.5 -55.6 -45.0 -6.2 16.8 4.3 90 90 A R H < S+ 0 0 143 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.804 102.7 57.1 -61.6 -30.9 -8.9 16.2 6.9 91 91 A V H < S+ 0 0 16 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.934 112.4 40.4 -61.4 -47.6 -6.5 14.1 8.9 92 92 A F H < S+ 0 0 1 -4,-1.7 2,-2.1 1,-0.2 -2,-0.2 0.874 102.0 72.2 -69.8 -40.6 -4.0 17.0 9.2 93 93 A D >< + 0 0 12 -4,-2.5 3,-1.2 -5,-0.2 -1,-0.2 -0.512 64.6 173.2 -80.3 77.4 -6.7 19.7 9.7 94 94 A K T 3 S+ 0 0 95 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.822 74.5 42.5 -60.8 -38.6 -7.5 18.6 13.3 95 95 A D T 3 S- 0 0 107 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.520 104.1-128.9 -88.9 -3.0 -9.9 21.4 14.1 96 96 A G < + 0 0 56 -3,-1.2 -2,-0.1 -6,-0.2 4,-0.1 0.677 65.3 132.6 67.9 22.6 -11.6 21.3 10.7 97 97 A N S S- 0 0 86 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.456 79.6-102.7 -85.9 1.1 -11.3 25.0 9.9 98 98 A G S S+ 0 0 33 1,-0.2 40,-0.5 -5,-0.1 2,-0.4 0.420 93.9 84.9 95.7 -2.0 -9.9 24.5 6.4 99 99 A F E -B 137 0B 66 38,-0.1 2,-0.7 39,-0.1 -2,-0.3 -0.990 68.0-138.3-134.9 139.9 -6.3 25.2 7.2 100 100 A I E -B 136 0B 0 36,-2.9 36,-2.4 -2,-0.4 2,-0.1 -0.892 28.0-157.3 -95.1 117.5 -3.5 23.1 8.5 101 101 A S > - 0 0 36 -2,-0.7 4,-2.5 34,-0.2 5,-0.2 -0.447 30.1-108.6 -84.9 165.4 -1.5 25.1 11.0 102 102 A A H > S+ 0 0 39 32,-0.4 4,-2.6 1,-0.2 5,-0.2 0.894 122.4 53.4 -60.2 -37.7 2.1 24.5 12.0 103 103 A A H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.894 108.7 48.0 -63.3 -43.4 0.8 23.2 15.4 104 104 A E H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.914 112.3 49.2 -64.4 -41.4 -1.5 20.7 13.6 105 105 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.939 112.1 47.9 -63.6 -45.4 1.3 19.5 11.3 106 106 A R H X S+ 0 0 82 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.909 110.0 52.8 -64.8 -39.3 3.6 19.0 14.2 107 107 A H H X S+ 0 0 94 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.919 112.2 45.2 -60.2 -47.1 0.9 17.2 16.2 108 108 A V H X S+ 0 0 9 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.942 114.6 47.2 -61.7 -50.4 0.3 14.8 13.3 109 109 A M H <>S+ 0 0 12 -4,-2.8 5,-2.8 1,-0.2 -2,-0.2 0.925 112.3 50.1 -60.4 -43.5 4.0 14.2 12.6 110 110 A T H ><5S+ 0 0 67 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.884 110.2 50.3 -61.3 -41.5 4.7 13.6 16.4 111 111 A N H 3<5S+ 0 0 107 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.886 105.7 56.2 -62.0 -38.7 1.9 11.1 16.5 112 112 A L T 3<5S- 0 0 30 -4,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.432 125.5-106.7 -74.7 4.3 3.4 9.4 13.5 113 113 A G T < 5S+ 0 0 52 -3,-1.3 2,-0.9 1,-0.2 -3,-0.2 0.577 83.0 128.1 83.9 10.1 6.5 9.1 15.5 114 114 A E < - 0 0 108 -5,-2.8 2,-2.1 -6,-0.2 -1,-0.2 -0.838 44.5-162.0-100.3 99.4 8.4 11.8 13.6 115 115 A K - 0 0 184 -2,-0.9 -5,-0.1 -5,-0.1 -9,-0.0 -0.519 18.5-162.1 -82.8 77.2 9.7 14.1 16.2 116 116 A L - 0 0 23 -2,-2.1 2,-0.1 -10,-0.2 -6,-0.0 -0.226 13.5-122.4 -62.5 145.5 10.4 17.0 13.9 117 117 A T > - 0 0 67 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.416 30.2-104.4 -78.2 164.4 12.7 19.8 15.0 118 118 A D H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.909 123.8 51.1 -53.7 -44.1 11.4 23.4 15.1 119 119 A E H > S+ 0 0 159 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.861 107.6 52.9 -63.5 -38.2 13.3 24.1 11.9 120 120 A E H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 109.5 47.5 -64.9 -44.0 11.9 21.1 10.1 121 121 A V H X S+ 0 0 6 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.948 111.3 51.5 -62.5 -47.2 8.3 22.1 10.9 122 122 A D H X S+ 0 0 83 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.878 108.9 51.3 -57.1 -40.4 8.9 25.6 9.7 123 123 A E H X S+ 0 0 58 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.909 108.3 51.1 -65.9 -42.1 10.4 24.4 6.4 124 124 A M H X S+ 0 0 5 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.922 115.0 42.9 -61.7 -42.7 7.4 22.1 5.7 125 125 A I H X S+ 0 0 12 -4,-2.2 4,-2.2 2,-0.2 3,-0.3 0.958 113.2 51.0 -67.8 -48.2 5.0 25.0 6.3 126 126 A R H < S+ 0 0 143 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.904 111.1 48.8 -58.0 -42.8 7.0 27.6 4.4 127 127 A E H < S+ 0 0 97 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.842 116.6 40.4 -70.5 -31.3 7.3 25.4 1.3 128 128 A A H < S+ 0 0 3 -4,-1.4 2,-2.0 -3,-0.3 -1,-0.2 0.749 94.0 90.1 -83.1 -24.1 3.6 24.5 1.2 129 129 A D >< + 0 0 24 -4,-2.2 3,-0.9 1,-0.2 5,-0.2 -0.436 44.8 162.8 -81.4 74.6 2.4 28.0 2.0 130 130 A I T 3 S+ 0 0 122 -2,-2.0 -1,-0.2 1,-0.2 6,-0.1 0.850 74.4 48.0 -59.2 -40.1 2.2 29.6 -1.5 131 131 A D T 3 S- 0 0 86 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.595 104.5-125.7 -84.3 -7.2 -0.1 32.5 -0.4 132 132 A G S < S+ 0 0 58 -3,-0.9 -2,-0.1 3,-0.1 -3,-0.1 0.609 70.5 125.9 78.6 14.1 2.0 33.5 2.6 133 133 A D S S- 0 0 72 2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.471 80.6-111.7 -84.4 1.1 -0.6 33.4 5.3 134 134 A G S S+ 0 0 44 1,-0.3 -32,-0.4 -5,-0.2 2,-0.3 0.490 88.2 75.0 86.5 3.7 1.5 31.0 7.5 135 135 A Q S S- 0 0 53 -34,-0.1 2,-0.6 -33,-0.1 -2,-0.3 -0.883 79.8-107.7-141.4 173.2 -0.8 28.0 7.1 136 136 A V E -B 100 0B 1 -36,-2.4 -36,-2.9 -2,-0.3 -7,-0.1 -0.893 28.8-167.0-114.6 115.1 -1.7 25.4 4.5 137 137 A N E > -B 99 0B 33 -2,-0.6 4,-2.4 -38,-0.2 5,-0.2 -0.290 39.9 -94.4 -87.9 178.7 -5.0 25.5 2.7 138 138 A Y H > S+ 0 0 77 -40,-0.5 4,-2.8 1,-0.2 5,-0.2 0.920 123.3 49.8 -62.4 -45.3 -6.5 22.7 0.6 139 139 A E H > S+ 0 0 135 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 112.1 49.1 -61.0 -40.3 -5.2 24.0 -2.7 140 140 A E H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.898 111.2 50.2 -65.0 -41.6 -1.7 24.4 -1.3 141 141 A F H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.928 110.6 49.1 -60.9 -45.8 -1.9 20.8 0.1 142 142 A V H X S+ 0 0 31 -4,-2.8 4,-4.7 1,-0.2 5,-0.2 0.941 111.4 49.4 -60.6 -45.6 -3.1 19.5 -3.3 143 143 A T H X S+ 0 0 72 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.904 109.2 52.6 -61.1 -40.7 -0.3 21.3 -5.0 144 144 A M H < S+ 0 0 19 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.877 123.6 27.6 -62.7 -37.1 2.3 19.9 -2.5 145 145 A M H < S+ 0 0 2 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.819 104.0 74.4 -94.7 -35.3 1.1 16.3 -3.1 146 146 A T H < S+ 0 0 88 -4,-4.7 -3,-0.2 -5,-0.3 -2,-0.2 0.911 78.2 172.3 -45.0 -48.7 -0.1 16.5 -6.5 147 147 A A < 0 0 37 -4,-1.2 -2,-0.1 -5,-0.2 -139,-0.0 0.212 360.0 360.0 59.6 170.0 3.5 16.6 -7.6 148 148 A K 0 0 214 -141,-0.1 -137,-0.1 -140,-0.0 0, 0.0 -0.158 360.0 360.0-100.8 360.0 4.6 16.3 -11.3 149 !* 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 0.0 150 201 B K 0 0 198 0, 0.0 -26,-0.1 0, 0.0 -27,-0.0 0.000 360.0 360.0 360.0 -94.0 13.0 17.2 3.4 151 202 B R + 0 0 30 -28,-0.1 2,-1.1 -27,-0.1 -24,-0.1 -0.221 360.0 151.3-110.2 43.8 9.7 18.7 4.6 152 203 B R > - 0 0 88 1,-0.2 4,-0.8 -25,-0.0 3,-0.3 -0.613 30.0-173.0 -81.7 102.4 7.6 16.9 2.1 153 204 B W H > S+ 0 0 2 -2,-1.1 4,-3.1 1,-0.2 5,-0.2 0.536 76.3 85.4 -67.2 -1.0 4.1 16.3 3.6 154 205 B K H >>S+ 0 0 41 2,-0.2 4,-3.5 3,-0.2 5,-0.6 0.999 82.8 44.8 -65.5 -69.1 3.8 14.3 0.4 155 206 B K H >5S+ 0 0 62 -3,-0.3 4,-1.7 1,-0.3 -137,-0.2 0.872 120.8 46.1 -45.8 -35.8 5.3 10.9 1.4 156 207 B N H X5S+ 0 0 4 -4,-0.8 4,-2.0 2,-0.2 -1,-0.3 0.946 120.4 36.9 -71.6 -48.0 3.2 11.3 4.5 157 208 B F H X5S+ 0 0 6 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.979 118.6 48.7 -68.0 -56.6 0.1 12.4 2.6 158 209 B I H X5S+ 0 0 4 -4,-3.5 4,-2.3 2,-0.2 -3,-0.2 0.944 110.2 53.1 -47.7 -54.4 0.6 10.1 -0.4 159 210 B A H >XX S+ 0 0 6 -4,-3.4 4,-1.6 1,-0.3 3,-0.6 0.893 109.0 51.7 -53.3 -38.9 -7.3 6.1 2.5 165 216 B R H 3X S+ 0 0 11 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.3 0.869 104.9 55.3 -67.5 -34.5 -8.0 5.2 -1.1 166 217 B F H 3< S+ 0 0 18 -4,-1.7 4,-0.3 -3,-0.4 -1,-0.2 0.692 107.0 51.8 -73.3 -14.7 -8.2 1.5 -0.2 167 218 B K H << S+ 0 0 53 -4,-1.2 3,-0.3 -3,-0.6 -1,-0.2 0.826 115.3 39.3 -86.9 -34.0 -10.9 2.4 2.3 168 219 B K H < S+ 0 0 96 -4,-1.6 4,-0.3 -5,-0.2 -2,-0.2 0.741 92.9 83.4 -86.6 -24.1 -13.0 4.3 -0.2 169 220 B I < + 0 0 58 -4,-2.4 2,-1.4 -5,-0.2 -1,-0.2 0.849 64.2 103.0 -48.0 -31.6 -12.4 1.9 -3.1 170 221 B S S S- 0 0 77 -3,-0.3 2,-1.4 -4,-0.3 3,-0.3 -0.315 83.6-134.1 -54.7 91.4 -15.3 0.0 -1.5 171 222 B S - 0 0 116 -2,-1.4 -1,-0.1 1,-0.2 -2,-0.1 -0.285 55.6 -67.0 -55.4 88.6 -17.8 1.2 -4.0 172 223 B S > - 0 0 107 -2,-1.4 3,-0.5 -4,-0.3 -1,-0.2 0.780 44.7-144.3 25.3 102.9 -20.6 2.2 -1.6 173 224 B G T 3 + 0 0 66 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.115 51.2 143.6 -77.6 27.5 -21.8 -1.1 0.0 174 225 B A T 3 0 0 87 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.799 360.0 360.0 -35.6 -38.6 -25.2 0.5 0.0 175 226 B L < 0 0 230 -3,-0.5 -1,-0.2 0, 0.0 0, 0.0 -0.873 360.0 360.0-130.8 360.0 -26.5 -3.0 -0.8