==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN/PROTEIN BINDING 31-MAY-02 1IWQ . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.YAMAUCHI,T.NAKATSU,M.MATSUBARA,H.KATO,H.TANIGUCHI,RIKEN . 157 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8280.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 68.8 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 . 5 3.2 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 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 1 0 1 0 2 4 0 0 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 . 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 0 152 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.7 2.9 40.2 84.0 2 5 A T > - 0 0 66 1,-0.1 4,-1.6 0, 0.0 5,-0.2 -0.540 360.0-111.2 -86.9 165.0 6.6 40.1 84.6 3 6 A E H > S+ 0 0 160 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.820 116.5 50.5 -61.5 -37.6 9.0 37.3 85.0 4 7 A E H > S+ 0 0 58 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.846 105.8 55.8 -72.7 -35.5 9.6 38.0 88.7 5 8 A Q H > S+ 0 0 84 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 107.4 49.8 -61.1 -39.6 5.9 38.1 89.5 6 9 A I H X S+ 0 0 76 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.893 107.6 53.5 -64.5 -42.7 5.4 34.6 88.0 7 10 A A H X S+ 0 0 14 -4,-1.5 4,-1.9 1,-0.2 141,-1.7 0.869 108.9 50.6 -64.9 -31.9 8.3 33.2 90.1 8 11 A E H X S+ 0 0 30 -4,-1.8 4,-2.7 139,-0.2 142,-0.3 0.912 110.8 46.9 -69.0 -42.6 6.5 34.6 93.2 9 12 A F H X S+ 0 0 33 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.921 110.4 54.8 -63.5 -37.1 3.2 33.0 92.2 10 13 A K H X S+ 0 0 79 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.870 111.0 43.3 -64.2 -41.5 5.1 29.8 91.6 11 14 A E H X S+ 0 0 17 -4,-1.9 4,-2.0 137,-0.3 -1,-0.2 0.919 111.3 54.5 -70.1 -42.1 6.7 29.9 95.0 12 15 A A H X S+ 0 0 6 -4,-2.7 4,-1.0 136,-0.3 -2,-0.2 0.926 111.2 47.6 -58.1 -37.7 3.3 30.8 96.6 13 16 A F H >X S+ 0 0 15 -4,-2.7 4,-2.8 1,-0.2 3,-0.6 0.919 108.0 53.7 -67.3 -46.3 1.9 27.7 94.8 14 17 A S H 3< S+ 0 0 46 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.807 99.6 62.4 -58.4 -33.1 4.6 25.5 96.0 15 18 A L H 3< S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.900 113.4 35.9 -62.0 -39.8 4.0 26.5 99.7 16 19 A F H << S+ 0 0 2 -4,-1.0 2,-2.5 -3,-0.6 -2,-0.2 0.885 103.8 72.4 -76.9 -41.7 0.5 25.0 99.4 17 20 A D >< + 0 0 12 -4,-2.8 3,-1.8 1,-0.2 -1,-0.2 -0.427 61.7 169.9 -80.5 72.1 1.4 22.1 97.2 18 21 A K T 3 S+ 0 0 87 -2,-2.5 -1,-0.2 1,-0.3 6,-0.1 0.826 76.9 41.6 -52.0 -44.0 3.2 20.1 99.9 19 22 A D T 3 S- 0 0 102 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.428 103.8-131.9 -88.0 1.6 3.6 16.9 97.9 20 23 A G < + 0 0 56 -3,-1.8 -2,-0.1 -6,-0.2 4,-0.1 0.783 59.7 140.2 55.1 39.3 4.4 18.8 94.8 21 24 A D S S- 0 0 90 2,-0.4 -1,-0.1 1,-0.0 3,-0.1 0.371 75.8-103.6 -93.6 6.9 1.9 16.9 92.6 22 25 A G S S+ 0 0 38 1,-0.2 40,-0.3 -5,-0.2 2,-0.3 0.449 93.5 80.8 87.2 -0.8 0.9 20.1 90.7 23 26 A T - 0 0 31 38,-0.1 2,-0.6 -7,-0.0 -2,-0.4 -0.969 68.0-135.0-136.5 156.9 -2.4 20.5 92.5 24 27 A I B -A 60 0A 1 36,-2.4 36,-2.5 -2,-0.3 2,-0.2 -0.942 26.1-163.3-109.3 118.5 -3.6 22.0 95.8 25 28 A T > - 0 0 24 -2,-0.6 4,-2.5 34,-0.2 5,-0.2 -0.489 36.7-104.8 -96.0 167.7 -6.1 19.9 97.7 26 29 A T H > S+ 0 0 38 32,-0.3 4,-2.5 1,-0.2 5,-0.1 0.880 123.7 55.9 -57.2 -32.9 -8.5 20.8 100.5 27 30 A K H > S+ 0 0 154 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 107.5 45.8 -63.2 -46.6 -6.1 18.9 102.7 28 31 A E H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.872 112.3 52.2 -65.0 -40.2 -3.1 21.0 101.7 29 32 A L H X S+ 0 0 3 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.933 110.6 48.2 -60.6 -49.2 -5.1 24.2 102.1 30 33 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.900 108.7 52.7 -59.8 -42.9 -6.1 23.1 105.6 31 34 A T H X S+ 0 0 60 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.922 112.3 46.0 -57.6 -47.6 -2.5 22.3 106.6 32 35 A V H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.966 113.4 48.2 -62.5 -48.6 -1.4 25.7 105.5 33 36 A M H ><>S+ 0 0 31 -4,-2.7 5,-3.0 1,-0.3 3,-0.5 0.899 112.5 47.8 -63.4 -36.3 -4.2 27.6 107.2 34 37 A R H ><5S+ 0 0 119 -4,-2.7 3,-2.0 1,-0.2 -1,-0.3 0.886 106.0 58.0 -68.6 -36.4 -3.7 25.7 110.4 35 38 A S H 3<5S+ 0 0 23 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.759 106.2 51.1 -65.6 -19.3 0.1 26.4 110.3 36 39 A L T <<5S- 0 0 7 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.020 128.9-100.0-102.5 20.0 -0.9 30.1 110.2 37 40 A G T < 5S+ 0 0 66 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.503 84.0 122.9 76.5 9.8 -3.1 29.6 113.2 38 41 A Q < - 0 0 45 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.491 47.7-152.7 -97.5 166.1 -6.5 29.4 111.5 39 42 A N - 0 0 128 -2,-0.2 -9,-0.1 -3,-0.1 2,-0.1 -0.426 15.3-178.9-142.1 72.5 -9.0 26.6 111.7 40 43 A P - 0 0 12 0, 0.0 2,-0.1 0, 0.0 -6,-0.1 -0.330 24.9-125.6 -68.3 146.4 -11.2 26.2 108.6 41 44 A T > - 0 0 62 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.393 28.7-102.0 -85.1 171.1 -13.8 23.5 108.6 42 45 A E H > S+ 0 0 142 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.881 123.5 52.6 -63.3 -36.6 -14.1 20.9 105.9 43 46 A A H > S+ 0 0 43 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.938 107.4 51.4 -64.4 -43.9 -17.0 22.8 104.3 44 47 A E H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.917 110.8 48.5 -62.2 -41.4 -15.0 26.0 104.3 45 48 A L H X S+ 0 0 13 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.934 111.7 48.8 -64.3 -45.2 -12.1 24.3 102.5 46 49 A Q H X S+ 0 0 116 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.933 110.1 52.5 -60.4 -42.2 -14.4 22.7 100.0 47 50 A D H X S+ 0 0 100 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.877 106.0 55.1 -59.9 -38.9 -16.1 26.1 99.4 48 51 A M H X S+ 0 0 31 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.974 112.9 40.4 -63.0 -49.7 -12.7 27.6 98.8 49 52 A I H >X S+ 0 0 2 -4,-2.2 3,-1.9 1,-0.2 4,-1.3 0.944 111.4 56.7 -62.2 -47.6 -11.8 25.2 96.1 50 53 A N H >< S+ 0 0 99 -4,-3.0 3,-0.6 1,-0.3 -1,-0.2 0.883 96.7 64.9 -56.0 -36.1 -15.3 25.2 94.5 51 54 A E H 3< S+ 0 0 139 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.765 119.7 20.9 -57.3 -28.3 -15.2 28.9 94.0 52 55 A V H << S+ 0 0 11 -3,-1.9 2,-2.2 -4,-0.6 -1,-0.2 0.341 87.1 116.7-123.7 4.9 -12.3 28.6 91.5 53 56 A D X< + 0 0 18 -4,-1.3 3,-1.9 -3,-0.6 5,-0.2 -0.413 33.6 171.2 -83.7 73.3 -12.5 25.0 90.4 54 57 A A T 3 S+ 0 0 98 -2,-2.2 -1,-0.2 1,-0.3 6,-0.1 0.769 77.6 40.9 -49.6 -43.1 -13.3 25.7 86.7 55 58 A D T 3 S- 0 0 91 -3,-0.2 -1,-0.3 1,-0.0 -2,-0.1 0.381 101.9-130.7 -91.4 -0.0 -12.9 22.0 85.6 56 59 A G < + 0 0 58 -3,-1.9 -2,-0.1 1,-0.1 -3,-0.1 0.692 64.4 133.7 60.3 25.4 -14.7 20.6 88.7 57 60 A N S S- 0 0 88 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.349 73.9-115.1 -87.4 6.9 -12.0 18.0 89.4 58 61 A G S S+ 0 0 38 -5,-0.2 -32,-0.3 1,-0.2 2,-0.3 0.308 85.0 76.7 84.2 -12.6 -12.0 18.9 93.1 59 62 A T S S- 0 0 30 -34,-0.1 2,-0.5 -10,-0.1 -2,-0.3 -0.807 79.6-107.0-128.1 167.2 -8.5 20.4 93.4 60 63 A I B -A 24 0A 0 -36,-2.5 -36,-2.4 -2,-0.3 2,-0.1 -0.868 29.5-167.6 -99.6 125.7 -6.7 23.6 92.4 61 64 A D > - 0 0 47 -2,-0.5 4,-2.6 -38,-0.2 5,-0.2 -0.407 45.0 -82.2 -95.9-175.3 -4.3 23.7 89.5 62 65 A F H > S+ 0 0 65 -40,-0.3 4,-2.2 1,-0.2 5,-0.2 0.925 127.4 43.1 -59.1 -53.2 -1.9 26.6 88.7 63 66 A P H > S+ 0 0 78 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.854 113.2 51.8 -60.1 -37.2 -4.4 28.8 86.8 64 67 A E H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.931 109.1 52.3 -66.3 -36.6 -7.1 28.2 89.3 65 68 A F H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.928 107.4 51.6 -62.1 -44.4 -4.6 29.2 92.1 66 69 A L H X S+ 0 0 51 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.855 109.5 49.8 -62.0 -38.9 -3.9 32.4 90.2 67 70 A T H X S+ 0 0 60 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.938 108.2 53.0 -65.1 -48.1 -7.5 33.2 90.1 68 71 A M H X S+ 0 0 12 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.958 112.8 44.6 -49.2 -54.4 -7.9 32.5 93.8 69 72 A M H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.880 110.6 53.6 -62.5 -39.0 -5.1 34.9 94.5 70 73 A A H < S+ 0 0 59 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.868 108.1 49.9 -66.0 -33.8 -6.4 37.5 92.1 71 74 A R H < S+ 0 0 158 -4,-2.5 -1,-0.2 -3,-0.2 -2,-0.2 0.902 109.4 52.5 -70.6 -35.8 -9.8 37.5 93.8 72 75 A K H < 0 0 79 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.874 360.0 360.0 -63.3 -36.0 -8.1 37.9 97.2 73 76 A M < 0 0 90 -4,-1.9 67,-0.1 -5,-0.2 66,-0.0 -0.470 360.0 360.0 -79.0 360.0 -6.2 41.0 95.8 74 ! 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 75 81 A S >> 0 0 113 0, 0.0 4,-1.8 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 156.2 -11.5 45.5 105.2 76 82 A E H 3> + 0 0 108 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.851 360.0 56.8 -30.4 -49.8 -9.4 46.6 108.2 77 83 A E H 3> S+ 0 0 90 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.856 105.0 47.6 -63.0 -41.1 -10.3 43.4 110.1 78 84 A E H <> S+ 0 0 91 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.904 116.3 45.2 -68.0 -38.1 -9.0 40.9 107.5 79 85 A I H X S+ 0 0 36 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.941 112.0 52.0 -70.9 -42.2 -5.7 42.9 107.2 80 86 A R H X S+ 0 0 90 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.901 109.7 50.1 -59.4 -42.0 -5.4 43.2 110.9 81 87 A E H X S+ 0 0 41 -4,-2.1 4,-0.7 -5,-0.2 -1,-0.2 0.924 110.5 47.7 -64.2 -47.4 -5.8 39.5 111.3 82 88 A A H >X S+ 0 0 2 -4,-2.0 4,-1.0 1,-0.2 3,-0.8 0.896 109.9 55.2 -62.1 -35.8 -3.2 38.7 108.6 83 89 A F H >X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 3,-0.7 0.930 104.5 54.1 -61.1 -41.5 -0.8 41.2 110.4 84 90 A R H 3< S+ 0 0 127 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.683 93.9 67.8 -73.4 -14.6 -1.2 39.3 113.6 85 91 A V H << S+ 0 0 7 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.911 115.6 29.0 -63.8 -37.2 -0.2 36.1 111.9 86 92 A F H << S+ 0 0 0 -4,-1.0 2,-2.2 -3,-0.7 9,-0.2 0.861 106.4 72.3 -91.5 -35.6 3.3 37.6 111.6 87 93 A D >< + 0 0 13 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 -0.444 60.2 166.2 -86.1 73.2 3.4 40.0 114.6 88 94 A K T 3 S+ 0 0 121 -2,-2.2 -1,-0.2 1,-0.3 6,-0.1 0.827 70.7 45.4 -59.8 -42.4 3.7 37.3 117.2 89 95 A D T 3 S- 0 0 104 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.434 103.6-130.0 -81.0 0.6 4.8 39.4 120.2 90 96 A G < + 0 0 55 -3,-1.4 -2,-0.1 1,-0.1 4,-0.1 0.611 65.3 133.6 60.3 20.0 2.1 41.9 119.3 91 97 A N S S- 0 0 83 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.495 78.7-105.8 -80.7 -1.3 4.4 44.9 119.5 92 98 A G S S+ 0 0 27 1,-0.2 40,-0.6 -5,-0.2 2,-0.4 0.522 92.1 89.7 95.7 7.7 3.1 46.4 116.2 93 99 A Y E -B 131 0B 89 38,-0.2 2,-0.7 39,-0.1 -2,-0.3 -1.000 66.4-141.1-138.6 131.2 6.2 45.6 114.2 94 100 A I E -B 130 0B 0 36,-3.1 36,-2.2 -2,-0.4 2,-0.2 -0.856 27.7-162.2 -89.0 118.3 7.0 42.5 112.1 95 101 A S > - 0 0 25 -2,-0.7 4,-2.6 -9,-0.2 5,-0.2 -0.514 32.0-108.0 -90.4 167.5 10.6 41.7 112.6 96 102 A A H > S+ 0 0 31 32,-0.3 4,-2.4 2,-0.2 5,-0.2 0.874 121.6 53.4 -55.8 -45.8 12.8 39.5 110.5 97 103 A A H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.941 109.9 49.1 -59.1 -42.6 12.9 36.8 113.2 98 104 A E H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.938 111.6 48.0 -62.2 -45.7 9.0 36.9 113.2 99 105 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.923 112.0 49.5 -60.9 -42.4 8.8 36.5 109.5 100 106 A R H X S+ 0 0 68 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.867 107.7 55.1 -63.0 -40.5 11.3 33.7 109.6 101 107 A H H X S+ 0 0 110 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.907 109.5 46.7 -58.0 -47.4 9.3 32.0 112.3 102 108 A V H X S+ 0 0 4 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.939 112.7 48.9 -61.4 -45.8 6.1 32.1 110.1 103 109 A M H <>S+ 0 0 3 -4,-2.5 5,-2.8 1,-0.2 -1,-0.2 0.869 110.2 52.2 -63.8 -36.8 7.9 30.8 107.1 104 110 A T H ><5S+ 0 0 85 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.842 106.4 52.2 -67.2 -35.8 9.5 27.9 109.1 105 111 A N H 3<5S+ 0 0 109 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.755 105.0 58.2 -70.5 -21.4 6.1 26.9 110.4 106 112 A L T 3<5S- 0 0 1 -4,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.323 123.7-108.9 -85.5 4.4 5.0 26.8 106.8 107 113 A G T < 5S+ 0 0 60 -3,-1.4 2,-0.7 1,-0.2 -3,-0.2 0.581 80.4 127.8 77.3 13.5 7.8 24.3 106.1 108 114 A E < - 0 0 37 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.888 48.3-151.2-107.7 113.5 9.9 26.8 104.2 109 115 A K - 0 0 75 -2,-0.7 2,-0.4 -3,-0.1 -5,-0.0 -0.635 17.8-161.6 -80.2 132.9 13.5 27.2 105.3 110 116 A L - 0 0 19 -2,-0.3 2,-0.2 -10,-0.1 -6,-0.0 -0.935 16.5-132.0-123.2 145.0 15.0 30.7 104.7 111 117 A T >> - 0 0 60 -2,-0.4 4,-2.2 1,-0.1 3,-0.6 -0.554 36.3-110.4 -80.9 151.7 18.4 32.1 104.4 112 118 A D H 3> S+ 0 0 88 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.855 121.6 53.5 -50.0 -33.5 19.0 35.3 106.4 113 119 A E H 3> S+ 0 0 122 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.870 104.6 51.3 -72.0 -38.4 19.2 37.0 103.0 114 120 A E H <> S+ 0 0 26 -3,-0.6 4,-1.6 2,-0.2 -2,-0.2 0.935 114.4 45.3 -62.8 -42.3 15.9 35.7 101.7 115 121 A V H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.930 112.5 49.0 -68.9 -46.1 14.2 36.9 104.9 116 122 A D H X S+ 0 0 77 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.901 109.9 53.6 -60.0 -40.4 15.9 40.3 104.9 117 123 A E H X S+ 0 0 84 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.862 107.4 51.0 -64.1 -37.2 14.9 40.7 101.2 118 124 A M H X S+ 0 0 1 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.951 111.0 46.6 -67.7 -42.8 11.3 40.0 102.1 119 125 A I H >X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 3,-0.8 0.955 108.4 58.3 -61.0 -42.6 11.3 42.6 104.9 120 126 A R H 3< S+ 0 0 163 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.878 99.0 59.7 -55.3 -39.9 13.0 45.1 102.5 121 127 A E H 3< S+ 0 0 75 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.856 118.2 26.8 -57.3 -44.5 10.1 44.7 100.1 122 128 A A H << S+ 0 0 6 -4,-1.1 2,-0.7 -3,-0.8 -1,-0.2 0.645 94.5 101.3 -98.3 -15.7 7.5 45.9 102.5 123 129 A D < + 0 0 28 -4,-2.6 7,-0.1 -5,-0.2 -4,-0.0 -0.604 39.9 168.3 -72.9 113.6 9.6 48.2 104.7 124 130 A I S S+ 0 0 108 -2,-0.7 -1,-0.2 5,-0.2 6,-0.1 0.871 72.5 45.5 -89.6 -47.4 8.9 51.7 103.5 125 131 A D S S- 0 0 94 4,-0.2 -1,-0.1 1,-0.1 -2,-0.1 0.667 103.6-124.4 -76.3 -10.9 10.5 53.8 106.2 126 132 A G S S+ 0 0 58 3,-0.2 -1,-0.1 -6,-0.1 4,-0.1 0.588 70.9 129.3 77.9 19.0 13.7 51.8 106.3 127 133 A D S S- 0 0 77 2,-0.3 3,-0.1 1,-0.1 -1,-0.0 0.546 79.8-113.5 -75.0 -4.7 13.6 50.9 110.1 128 134 A G S S+ 0 0 39 1,-0.3 -32,-0.3 -9,-0.1 2,-0.3 0.528 88.2 84.9 84.7 5.0 14.1 47.2 109.1 129 135 A Q S S- 0 0 58 -34,-0.1 2,-0.6 -10,-0.1 -1,-0.3 -0.894 76.2-120.6-130.5 169.0 10.7 46.2 110.4 130 136 A V E -B 94 0B 0 -36,-2.2 -36,-3.1 -2,-0.3 -7,-0.1 -0.937 27.3-166.2-117.3 113.0 7.2 46.2 108.9 131 137 A N E > -B 93 0B 33 -2,-0.6 4,-2.1 -38,-0.2 -38,-0.2 -0.269 39.4 -94.5 -88.2 176.4 4.6 48.2 110.8 132 138 A Y H > S+ 0 0 31 -40,-0.6 4,-2.9 2,-0.2 5,-0.1 0.926 123.8 51.7 -63.0 -48.1 0.8 47.9 110.3 133 139 A E H > S+ 0 0 57 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.919 112.0 47.5 -56.0 -42.5 0.6 50.8 107.8 134 140 A E H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.880 110.6 50.7 -63.9 -42.5 3.4 49.3 105.7 135 141 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.930 111.5 49.7 -64.8 -38.5 1.7 45.9 105.9 136 142 A V H X S+ 0 0 37 -4,-2.9 4,-3.2 1,-0.2 -2,-0.2 0.942 109.0 50.2 -66.0 -48.6 -1.5 47.7 104.7 137 143 A Q H < S+ 0 0 133 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.890 113.3 49.2 -56.1 -38.6 0.3 49.4 101.8 138 144 A M H < S+ 0 0 21 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.943 116.6 38.2 -64.2 -49.9 1.7 46.0 100.9 139 145 A M H < 0 0 14 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.886 360.0 360.0 -72.6 -34.9 -1.6 44.1 101.0 140 146 A T < 0 0 94 -4,-3.2 -3,-0.0 -5,-0.2 -67,-0.0 0.143 360.0 360.0 -76.7 360.0 -3.7 46.9 99.5 141 !* 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 0.0 142 191 B K 0 0 70 0, 0.0 2,-0.3 0, 0.0 -33,-0.0 0.000 360.0 360.0 360.0 119.2 16.7 28.1 100.2 143 192 B K - 0 0 99 5,-0.0 2,-0.4 -33,-0.0 5,-0.1 -0.475 360.0-173.8 -56.7 126.3 17.1 29.7 96.7 144 193 B R > - 0 0 45 3,-0.3 3,-2.1 -2,-0.3 2,-0.1 -0.991 28.3-116.9-126.7 124.4 15.2 27.9 93.9 145 194 B F T 3 S+ 0 0 196 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 -0.425 102.6 17.0 -60.8 131.4 15.7 29.0 90.3 146 195 B S T 3 S+ 0 0 44 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.377 112.9 97.6 85.1 -2.1 12.4 30.3 88.7 147 196 B F < + 0 0 65 -3,-2.1 -3,-0.3 -137,-0.1 2,-0.3 -0.918 47.5 177.7-118.3 146.5 11.0 30.7 92.3 148 197 B K - 0 0 51 -141,-1.7 2,-0.7 -2,-0.3 -137,-0.3 -0.952 26.5-129.7-152.0 125.6 10.8 33.8 94.5 149 198 B K - 0 0 21 -2,-0.3 2,-0.4 -138,-0.1 -141,-0.1 -0.635 27.2-168.2 -80.3 116.3 9.4 34.3 98.0 150 199 B S > - 0 0 4 -2,-0.7 4,-1.3 -142,-0.3 5,-0.1 -0.877 22.2-156.2-107.1 135.2 7.1 37.3 98.1 151 200 B F H > S+ 0 0 0 -2,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.942 96.3 53.7 -66.8 -47.2 5.8 38.9 101.3 152 201 B K H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.928 111.6 40.7 -52.9 -62.4 2.8 40.3 99.5 153 202 B L H > S+ 0 0 6 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.841 115.1 54.3 -58.8 -34.0 1.6 37.1 97.9 154 203 B S H < S+ 0 0 9 -4,-1.3 4,-0.5 2,-0.2 -1,-0.3 0.835 105.9 53.6 -68.3 -33.3 2.4 35.3 101.2 155 204 B G H >< S+ 0 0 0 -4,-2.2 3,-2.5 -3,-0.4 -2,-0.2 0.992 110.2 44.5 -63.4 -57.2 0.2 37.9 103.0 156 205 B F H 3< S+ 0 0 29 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.869 107.6 60.6 -55.0 -34.5 -2.8 37.3 100.8 157 206 B S T 3< S+ 0 0 6 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.3 0.678 106.7 59.6 -67.2 -16.5 -2.1 33.5 101.2 158 207 B F < 0 0 10 -3,-2.5 -76,-0.1 -4,-0.5 -125,-0.1 -0.841 360.0 360.0-116.3 153.9 -2.7 34.1 104.9 159 208 B K 0 0 86 -2,-0.3 -75,-0.2 -78,-0.1 -76,-0.2 0.673 360.0 360.0-123.5 360.0 -5.6 35.4 106.9