==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN/TRANSFERASE 13-DEC-10 2L7L . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.L.GIFFORD,H.ISHIDA,H.J.VOGEL . 170 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8910.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 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 2.9 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 . 8 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 53.5 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 2 2 1 1 1 0 0 0 0 0 1 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 1 A A 0 0 90 0, 0.0 3,-0.2 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0-136.9 -18.3 -0.9 2.8 2 2 A D + 0 0 141 1,-0.2 2,-0.3 2,-0.0 0, 0.0 0.396 360.0 52.7 -91.9 2.0 -20.9 1.7 3.8 3 3 A Q + 0 0 167 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.760 68.4 178.5-141.6 92.0 -19.4 1.8 7.3 4 4 A L - 0 0 49 -2,-0.3 2,-0.1 -3,-0.2 66,-0.0 -0.784 24.1-129.5 -97.4 136.1 -15.6 2.5 7.5 5 5 A T > - 0 0 78 -2,-0.4 4,-1.8 1,-0.1 5,-0.2 -0.357 21.8-114.2 -78.7 162.2 -13.9 2.8 10.9 6 6 A E H > S+ 0 0 148 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.652 113.4 63.9 -69.9 -13.8 -11.7 5.7 11.9 7 7 A E H > S+ 0 0 110 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.965 107.5 35.5 -74.6 -54.5 -8.8 3.2 12.0 8 8 A Q H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.860 116.3 56.9 -67.6 -34.9 -8.8 2.2 8.3 9 9 A I H X S+ 0 0 33 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.895 107.6 47.6 -63.0 -41.0 -9.7 5.8 7.3 10 10 A A H X S+ 0 0 50 -4,-1.4 4,-2.0 2,-0.2 5,-0.2 0.893 107.8 55.6 -67.8 -40.5 -6.7 7.1 9.1 11 11 A E H X S+ 0 0 22 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.941 113.4 40.5 -57.8 -47.4 -4.3 4.5 7.6 12 12 A F H X S+ 0 0 0 -4,-2.1 4,-3.5 1,-0.2 -1,-0.2 0.776 106.6 67.1 -71.8 -25.6 -5.4 5.6 4.1 13 13 A K H X S+ 0 0 108 -4,-1.5 4,-1.7 -5,-0.2 -2,-0.2 0.953 107.0 37.8 -60.2 -49.3 -5.3 9.2 5.1 14 14 A E H X S+ 0 0 104 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.953 119.6 47.5 -66.2 -49.2 -1.6 9.1 5.6 15 15 A A H X S+ 0 0 2 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.880 106.0 60.6 -59.0 -37.3 -1.1 6.9 2.5 16 16 A F H >X S+ 0 0 17 -4,-3.5 4,-3.3 1,-0.2 3,-0.7 0.930 104.3 48.2 -56.2 -46.4 -3.4 9.2 0.6 17 17 A S H 3< S+ 0 0 64 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.891 107.6 55.5 -61.4 -39.2 -1.0 12.1 1.2 18 18 A L H 3< S+ 0 0 7 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.767 115.9 38.9 -64.9 -23.5 1.9 9.9 0.1 19 19 A F H << S+ 0 0 12 -4,-1.4 2,-1.3 -3,-0.7 -2,-0.2 0.797 107.5 65.7 -93.8 -35.6 -0.1 9.4 -3.1 20 20 A D >< + 0 0 4 -4,-3.3 3,-0.6 -5,-0.2 -1,-0.2 -0.708 57.8 170.9 -91.7 89.1 -1.4 12.9 -3.5 21 21 A K T 3 S+ 0 0 148 -2,-1.3 -1,-0.2 1,-0.2 -2,-0.0 0.895 82.5 45.9 -64.4 -41.0 1.8 14.9 -4.1 22 22 A D T 3 S- 0 0 84 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.1 0.535 99.5-141.1 -79.6 -5.7 -0.2 18.1 -5.0 23 23 A G < + 0 0 57 -3,-0.6 -2,-0.1 -6,-0.2 4,-0.1 0.837 50.8 148.3 48.5 34.7 -2.4 17.4 -1.9 24 24 A D - 0 0 67 2,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.533 67.4-115.3 -75.9 -4.5 -5.3 18.6 -4.1 25 25 A G S S+ 0 0 29 1,-0.2 40,-1.8 -5,-0.1 2,-0.3 0.576 89.2 86.3 80.7 9.8 -7.5 16.2 -2.1 26 26 A T E -A 64 0A 48 38,-0.2 2,-0.5 39,-0.1 -2,-0.3 -0.998 66.0-142.8-143.4 145.3 -8.1 14.2 -5.3 27 27 A I E -A 63 0A 1 36,-2.7 36,-1.9 -2,-0.3 2,-0.2 -0.920 15.9-157.3-112.2 131.1 -6.2 11.4 -7.1 28 28 A T > - 0 0 44 -2,-0.5 4,-2.9 34,-0.2 5,-0.3 -0.519 31.9-106.6 -99.5 169.1 -6.0 11.2 -10.9 29 29 A T H > S+ 0 0 32 32,-0.4 4,-2.5 1,-0.2 5,-0.3 0.916 121.3 50.8 -60.6 -44.6 -5.4 8.2 -13.1 30 30 A K H > S+ 0 0 153 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.874 113.7 46.3 -61.8 -37.5 -1.8 9.3 -13.9 31 31 A E H > S+ 0 0 38 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.980 115.1 42.5 -69.5 -57.7 -1.2 9.7 -10.2 32 32 A L H X S+ 0 0 3 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.862 120.8 45.3 -57.3 -37.0 -2.6 6.5 -8.9 33 33 A G H X S+ 0 0 0 -4,-2.5 4,-3.6 -5,-0.3 5,-0.3 0.926 111.4 51.0 -72.7 -46.0 -0.9 4.7 -11.9 34 34 A T H X S+ 0 0 56 -4,-2.7 4,-1.7 -5,-0.3 -2,-0.2 0.941 116.0 41.0 -57.4 -50.2 2.4 6.5 -11.5 35 35 A V H X S+ 0 0 4 -4,-2.8 4,-0.5 2,-0.2 -1,-0.2 0.931 118.2 47.1 -64.9 -45.8 2.7 5.6 -7.8 36 36 A M H ><>S+ 0 0 7 -4,-1.9 3,-2.2 -5,-0.3 5,-0.5 0.959 111.9 49.1 -60.7 -52.4 1.4 2.1 -8.3 37 37 A R H >X5S+ 0 0 95 -4,-3.6 4,-1.1 1,-0.3 3,-0.6 0.847 100.9 66.5 -56.0 -33.7 3.6 1.4 -11.3 38 38 A S H 3<5S+ 0 0 24 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.3 0.731 76.5 86.5 -60.2 -21.1 6.5 2.7 -9.1 39 39 A L T <<5S- 0 0 2 -3,-2.2 -1,-0.3 -4,-0.5 -2,-0.1 0.181 125.9 -91.1 -68.1 24.5 5.9 -0.3 -7.0 40 40 A G T <45S+ 0 0 50 -3,-0.6 2,-0.3 -2,-0.4 -2,-0.2 0.634 97.4 121.4 75.8 12.5 8.2 -2.1 -9.4 41 41 A Q << - 0 0 36 -4,-1.1 -1,-0.3 -5,-0.5 -2,-0.1 -0.799 51.6-159.5-110.1 152.2 5.2 -3.1 -11.4 42 42 A N + 0 0 147 -2,-0.3 -5,-0.1 -3,-0.1 -4,-0.0 -0.383 23.5 173.4-126.9 55.1 4.4 -2.3 -15.1 43 43 A P - 0 0 20 0, 0.0 2,-0.1 0, 0.0 -6,-0.1 -0.265 33.7-110.6 -61.4 146.7 0.6 -2.7 -15.3 44 44 A T >> - 0 0 75 1,-0.1 4,-1.7 4,-0.0 3,-1.1 -0.376 25.9-107.7 -78.9 159.4 -1.0 -1.7 -18.6 45 45 A E H 3> S+ 0 0 140 1,-0.3 4,-3.4 2,-0.2 5,-0.2 0.865 122.0 59.3 -53.5 -36.7 -3.3 1.3 -19.0 46 46 A A H 3> S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.852 103.0 52.4 -61.3 -34.4 -6.2 -1.1 -19.3 47 47 A E H <> S+ 0 0 45 -3,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.889 113.9 42.3 -68.8 -39.5 -5.3 -2.5 -15.9 48 48 A L H X S+ 0 0 12 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.944 112.3 52.2 -72.0 -49.9 -5.3 1.0 -14.3 49 49 A Q H X S+ 0 0 59 -4,-3.4 4,-3.4 1,-0.2 5,-0.2 0.926 113.2 45.5 -52.4 -46.9 -8.5 2.2 -16.1 50 50 A D H X S+ 0 0 72 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.897 110.7 54.4 -64.0 -40.2 -10.3 -1.0 -14.9 51 51 A M H X S+ 0 0 4 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.928 116.3 37.2 -59.2 -46.6 -8.9 -0.5 -11.4 52 52 A I H >X S+ 0 0 2 -4,-3.0 4,-3.4 2,-0.2 3,-0.7 0.953 112.5 56.1 -70.9 -50.6 -10.2 3.1 -11.3 53 53 A N H 3< S+ 0 0 75 -4,-3.4 -1,-0.2 -5,-0.3 -2,-0.2 0.815 103.5 58.8 -51.1 -32.6 -13.5 2.4 -13.1 54 54 A E H 3< S+ 0 0 64 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.920 117.6 29.0 -64.6 -44.7 -14.1 -0.3 -10.5 55 55 A V H << S+ 0 0 9 -4,-1.1 2,-2.1 -3,-0.7 -2,-0.2 0.671 96.5 99.6 -88.7 -19.3 -14.0 2.3 -7.7 56 56 A D >< + 0 0 9 -4,-3.4 3,-0.8 1,-0.2 -1,-0.1 -0.474 49.5 179.1 -70.6 85.0 -15.2 5.1 -9.9 57 57 A A T 3 S+ 0 0 106 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.775 86.0 37.3 -58.7 -26.9 -18.8 5.0 -8.7 58 58 A D T 3 S- 0 0 90 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.481 101.3-134.0-102.6 -6.7 -19.5 7.9 -11.0 59 59 A G < + 0 0 53 -3,-0.8 -2,-0.1 -7,-0.2 -6,-0.1 0.842 56.0 145.9 56.4 33.1 -17.2 6.7 -13.8 60 60 A N - 0 0 71 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.563 69.1-114.7 -77.0 -6.9 -15.9 10.3 -14.0 61 61 A G S S+ 0 0 27 1,-0.2 -32,-0.4 -12,-0.1 2,-0.3 0.498 90.3 77.8 85.9 4.1 -12.4 8.9 -14.8 62 62 A T - 0 0 53 -34,-0.1 2,-0.5 -10,-0.1 -2,-0.3 -0.989 68.1-140.0-144.5 151.8 -11.0 10.2 -11.5 63 63 A I E -A 27 0A 0 -36,-1.9 -36,-2.7 -2,-0.3 2,-0.1 -0.955 15.7-150.7-118.3 127.7 -11.1 9.2 -7.9 64 64 A D E > -A 26 0A 60 -2,-0.5 4,-2.3 -38,-0.2 -38,-0.2 -0.347 40.1 -89.0 -87.2 171.7 -11.5 11.7 -5.0 65 65 A F H > S+ 0 0 40 -40,-1.8 4,-1.7 1,-0.2 3,-0.3 0.925 129.9 50.0 -45.6 -53.4 -10.1 11.4 -1.5 66 66 A P H > S+ 0 0 77 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.916 109.3 51.2 -52.4 -46.4 -13.4 9.6 -0.4 67 67 A E H > S+ 0 0 22 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.865 103.5 60.1 -61.9 -34.4 -13.1 7.2 -3.4 68 68 A F H X S+ 0 0 1 -4,-2.3 4,-2.2 -3,-0.3 5,-0.3 0.932 100.3 53.9 -58.8 -46.0 -9.6 6.5 -2.4 69 69 A L H X S+ 0 0 19 -4,-1.7 4,-2.5 1,-0.2 -1,-0.3 0.848 105.2 56.7 -57.5 -33.1 -10.8 5.2 1.0 70 70 A T H X S+ 0 0 63 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.946 105.6 48.5 -63.9 -48.7 -13.1 2.9 -1.0 71 71 A M H X S+ 0 0 2 -4,-1.9 4,-1.6 1,-0.2 5,-0.2 0.954 118.0 40.1 -56.5 -52.1 -10.2 1.3 -2.9 72 72 A M H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.860 114.4 54.5 -66.1 -34.8 -8.2 0.7 0.2 73 73 A A H X S+ 0 0 6 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.859 102.6 57.6 -67.4 -35.2 -11.3 -0.3 2.1 74 74 A R H X S+ 0 0 92 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.931 116.1 34.1 -61.3 -46.3 -12.2 -2.9 -0.5 75 75 A K H < S+ 0 0 7 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.838 112.5 61.5 -77.1 -34.3 -8.9 -4.7 -0.0 76 76 A M H >< S+ 0 0 26 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.827 98.3 59.4 -61.5 -31.8 -8.7 -3.9 3.7 77 77 A K H 3< S+ 0 0 160 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.945 115.6 31.7 -62.7 -48.8 -11.9 -5.9 4.1 78 78 A D T 3< S+ 0 0 52 -4,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.013 84.8 171.3 -97.6 26.7 -10.4 -9.1 2.8 79 79 A T < - 0 0 52 -3,-1.1 2,-1.0 1,-0.1 3,-0.1 -0.139 14.1-167.6 -42.2 103.9 -7.0 -8.2 4.1 80 80 A D > - 0 0 67 1,-0.2 4,-3.2 -5,-0.1 5,-0.4 -0.636 10.5-177.7-100.3 75.0 -5.1 -11.5 3.4 81 81 A S H > S+ 0 0 56 -2,-1.0 4,-1.4 1,-0.2 5,-0.3 0.762 81.1 62.7 -42.7 -25.6 -2.0 -11.0 5.4 82 82 A E H > S+ 0 0 138 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 1.000 118.3 18.2 -65.5 -70.5 -1.1 -14.4 4.0 83 83 A E H > S+ 0 0 90 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.905 122.8 62.0 -68.8 -42.4 -1.0 -13.6 0.3 84 84 A E H X S+ 0 0 1 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.936 110.2 39.0 -48.5 -55.0 -0.7 -9.9 0.8 85 85 A I H X S+ 0 0 0 -4,-1.4 4,-4.2 -5,-0.4 5,-0.3 0.908 113.3 57.0 -63.6 -43.2 2.6 -10.3 2.6 86 86 A R H X S+ 0 0 139 -4,-1.9 4,-1.6 -5,-0.3 -2,-0.2 0.951 115.1 35.7 -54.1 -53.2 3.8 -13.0 0.3 87 87 A E H X S+ 0 0 54 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.910 120.9 48.4 -67.9 -41.9 3.4 -10.8 -2.8 88 88 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.4 5,-0.3 0.928 108.2 53.8 -63.9 -45.9 4.5 -7.7 -1.0 89 89 A F H X S+ 0 0 14 -4,-4.2 4,-2.4 1,-0.2 -1,-0.2 0.877 108.4 51.3 -56.6 -38.5 7.6 -9.3 0.5 90 90 A R H < S+ 0 0 135 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.884 107.3 52.7 -66.4 -39.4 8.5 -10.4 -3.1 91 91 A V H < S+ 0 0 19 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.933 115.3 39.9 -62.4 -46.2 8.2 -6.8 -4.4 92 92 A F H < S+ 0 0 7 -4,-2.4 2,-1.4 1,-0.2 3,-0.2 0.848 109.9 64.9 -71.0 -34.8 10.4 -5.4 -1.6 93 93 A D < + 0 0 4 -4,-2.4 3,-0.3 -5,-0.3 -1,-0.2 -0.656 59.8 165.9 -91.8 82.3 12.8 -8.4 -2.0 94 94 A K S S+ 0 0 106 -2,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.915 80.6 46.5 -62.3 -43.5 14.1 -7.9 -5.5 95 95 A D S S- 0 0 88 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.1 0.662 102.6-137.5 -73.1 -15.3 16.9 -10.4 -5.0 96 96 A G + 0 0 57 -3,-0.3 -2,-0.1 -6,-0.2 4,-0.1 0.827 55.2 144.9 61.9 30.9 14.3 -12.8 -3.5 97 97 A N - 0 0 69 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.615 69.8-114.5 -74.9 -11.0 16.9 -13.6 -0.8 98 98 A G S S+ 0 0 26 1,-0.2 40,-0.5 -9,-0.1 2,-0.4 0.333 90.3 89.1 93.6 -6.2 14.0 -13.9 1.7 99 99 A Y - 0 0 107 38,-0.1 2,-0.6 39,-0.1 -2,-0.3 -0.979 69.8-137.8-127.0 138.7 15.3 -10.9 3.6 100 100 A I B -B 136 0B 0 36,-2.1 36,-1.6 -2,-0.4 2,-0.1 -0.845 21.6-163.2 -99.5 119.2 14.4 -7.2 3.1 101 101 A S > - 0 0 32 -2,-0.6 4,-2.4 -9,-0.2 5,-0.2 -0.448 32.0-110.2 -93.1 169.3 17.4 -4.8 3.4 102 102 A A H > S+ 0 0 28 32,-0.3 4,-2.9 1,-0.2 5,-0.3 0.882 116.2 57.8 -65.9 -39.2 17.3 -1.1 3.9 103 103 A A H > S+ 0 0 60 2,-0.2 4,-1.6 3,-0.2 -1,-0.2 0.933 113.0 38.7 -57.3 -48.6 18.6 -0.5 0.4 104 104 A E H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.981 117.5 47.0 -66.9 -58.7 15.7 -2.4 -1.2 105 105 A L H X S+ 0 0 6 -4,-2.4 4,-2.3 1,-0.3 -2,-0.2 0.900 114.3 49.5 -50.5 -43.8 13.0 -1.2 1.2 106 106 A R H X S+ 0 0 92 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.3 0.860 109.0 53.8 -63.9 -36.2 14.3 2.4 0.7 107 107 A H H X S+ 0 0 102 -4,-1.6 4,-1.6 -3,-0.4 -2,-0.2 0.956 111.6 42.0 -64.1 -51.7 14.3 1.9 -3.0 108 108 A V H X S+ 0 0 3 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.888 114.6 52.5 -63.2 -39.3 10.6 0.8 -3.3 109 109 A M H <>S+ 0 0 2 -4,-2.3 5,-1.5 -5,-0.3 3,-0.4 0.897 108.5 50.1 -63.7 -40.2 9.6 3.5 -0.8 110 110 A T H ><5S+ 0 0 67 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.816 101.9 63.3 -67.2 -30.6 11.4 6.2 -2.8 111 111 A N H 3<5S+ 0 0 42 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.866 94.8 59.2 -61.9 -36.4 9.5 4.9 -5.9 112 112 A L T 3<5S- 0 0 1 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.480 125.5-105.8 -71.7 -0.1 6.2 5.9 -4.3 113 113 A G T < 5S+ 0 0 21 -3,-1.7 2,-0.5 1,-0.3 -3,-0.2 0.551 76.2 143.4 85.9 9.0 7.7 9.4 -4.2 114 114 A E < - 0 0 43 -5,-1.5 2,-1.1 1,-0.0 -1,-0.3 -0.708 46.0-143.5 -86.2 128.0 8.2 9.1 -0.5 115 115 A K + 0 0 167 -2,-0.5 2,-0.4 -3,-0.1 -5,-0.1 -0.752 30.4 169.3 -94.6 94.5 11.4 10.8 0.8 116 116 A L - 0 0 19 -2,-1.1 2,-0.1 -10,-0.2 -6,-0.0 -0.854 22.7-139.8-108.8 141.8 12.7 8.6 3.6 117 117 A T > - 0 0 68 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.431 29.5-104.2 -92.9 169.7 16.1 9.0 5.2 118 118 A D H > S+ 0 0 93 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.859 123.2 53.3 -61.2 -35.2 18.6 6.3 6.2 119 119 A E H > S+ 0 0 141 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.913 109.9 46.5 -66.6 -42.6 17.5 6.9 9.8 120 120 A E H > S+ 0 0 92 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.902 113.6 48.9 -66.2 -41.2 13.8 6.4 9.0 121 121 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.914 110.5 50.7 -64.5 -43.6 14.6 3.3 7.0 122 122 A D H X S+ 0 0 87 -4,-2.5 4,-3.6 1,-0.2 5,-0.3 0.910 110.7 49.1 -61.2 -42.8 16.7 1.8 9.8 123 123 A E H X S+ 0 0 90 -4,-2.1 4,-3.4 2,-0.2 5,-0.3 0.897 109.0 53.2 -64.0 -40.4 13.9 2.5 12.3 124 124 A M H X S+ 0 0 10 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.939 117.0 37.3 -60.5 -47.5 11.4 0.9 10.1 125 125 A I H X S+ 0 0 5 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.931 119.4 47.7 -69.7 -47.1 13.5 -2.3 9.8 126 126 A R H < S+ 0 0 172 -4,-3.6 -2,-0.2 1,-0.2 -3,-0.2 0.920 114.2 46.8 -60.7 -44.7 14.7 -2.2 13.4 127 127 A E H < S+ 0 0 101 -4,-3.4 -1,-0.2 -5,-0.3 -2,-0.2 0.785 120.7 39.7 -67.8 -26.8 11.2 -1.6 14.7 128 128 A A H < S+ 0 0 2 -4,-1.2 2,-0.8 -5,-0.3 -2,-0.2 0.692 100.9 82.6 -93.4 -23.3 9.9 -4.4 12.4 129 129 A D < - 0 0 7 -4,-3.1 7,-0.1 1,-0.2 5,-0.1 -0.747 55.7-174.3 -87.9 108.2 12.9 -6.7 13.0 130 130 A I S S+ 0 0 110 -2,-0.8 -1,-0.2 1,-0.2 6,-0.1 0.897 89.4 42.1 -67.2 -41.2 12.4 -8.6 16.2 131 131 A D S S- 0 0 90 4,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.783 102.6-135.4 -76.2 -27.3 15.9 -10.1 16.1 132 132 A G + 0 0 48 3,-0.2 -6,-0.1 -7,-0.2 -2,-0.1 0.842 53.3 147.3 75.1 34.0 17.4 -6.8 15.0 133 133 A D S S- 0 0 72 2,-0.4 3,-0.1 1,-0.1 -1,-0.1 0.395 74.4-104.6 -81.0 4.2 19.6 -8.5 12.4 134 134 A G S S+ 0 0 45 1,-0.3 -32,-0.3 -9,-0.1 2,-0.3 0.601 95.9 79.4 82.7 11.6 19.2 -5.3 10.3 135 135 A Q S S- 0 0 64 -10,-0.1 2,-0.5 -34,-0.1 -2,-0.4 -0.961 73.5-125.7-146.3 161.9 16.7 -7.0 8.0 136 136 A V B -B 100 0B 0 -36,-1.6 -36,-2.1 -2,-0.3 2,-0.1 -0.953 23.8-164.7-116.8 122.8 13.0 -8.1 7.9 137 137 A N > - 0 0 41 -2,-0.5 4,-2.4 -38,-0.2 -38,-0.1 -0.369 38.1 -97.7 -95.1 177.0 12.0 -11.7 7.2 138 138 A Y H > S+ 0 0 96 -40,-0.5 4,-2.1 2,-0.2 5,-0.2 0.938 125.5 47.7 -60.5 -48.0 8.6 -13.1 6.3 139 139 A E H > S+ 0 0 129 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.902 113.9 47.6 -60.2 -41.7 7.8 -14.0 9.9 140 140 A E H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.851 106.1 59.9 -67.9 -33.8 8.9 -10.6 11.0 141 141 A F H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.954 109.3 40.7 -59.3 -51.5 6.8 -9.0 8.3 142 142 A V H < S+ 0 0 56 -4,-2.1 4,-0.2 1,-0.2 -1,-0.2 0.865 114.8 53.6 -65.0 -35.9 3.6 -10.5 9.6 143 143 A Q H >< S+ 0 0 104 -4,-1.9 3,-0.9 -5,-0.2 -1,-0.2 0.862 109.3 48.0 -66.8 -35.8 4.7 -9.8 13.1 144 144 A M H 3< S+ 0 0 14 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.757 95.5 73.3 -75.4 -25.0 5.3 -6.2 12.2 145 145 A M T 3< + 0 0 29 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.596 68.6 134.8 -65.3 -8.3 1.9 -6.0 10.5 146 146 A T < - 0 0 54 -3,-0.9 -3,-0.1 -4,-0.2 -4,-0.0 -0.151 59.2-141.0 -44.9 125.2 0.5 -6.0 14.1 147 147 A A 0 0 70 1,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.404 360.0 360.0 -72.6 5.6 -2.2 -3.3 14.2 148 148 A K 0 0 240 3,-0.0 -1,-0.2 -4,-0.0 -2,-0.1 0.350 360.0 360.0-148.6 360.0 -0.9 -2.6 17.7 149 !* 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 0.0 150 299 B A > 0 0 61 0, 0.0 4,-1.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -50.1 6.6 3.9 11.6 151 300 B K H > + 0 0 41 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.863 360.0 61.4 -62.1 -35.2 3.7 1.4 11.5 152 301 B S H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 101.2 52.3 -57.9 -43.5 1.9 3.8 9.2 153 302 B K H > S+ 0 0 60 -3,-0.3 4,-1.9 1,-0.2 5,-0.4 0.896 106.3 54.1 -60.5 -40.6 4.7 3.5 6.6 154 303 B W H X S+ 0 0 4 -4,-1.4 4,-2.8 1,-0.2 5,-0.3 0.935 108.0 49.3 -59.7 -46.3 4.4 -0.3 6.7 155 304 B K H X S+ 0 0 25 -4,-2.1 4,-3.7 3,-0.2 5,-0.4 0.889 108.3 56.3 -60.3 -40.3 0.7 -0.1 6.0 156 305 B Q H X S+ 0 0 5 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.986 116.8 30.3 -55.0 -69.4 1.3 2.2 3.1 157 306 B A H X S+ 0 0 8 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.895 123.3 52.0 -59.1 -41.1 3.7 0.0 1.1 158 307 B F H X S+ 0 0 6 -4,-2.8 4,-2.2 -5,-0.4 -2,-0.2 0.957 115.4 39.0 -60.3 -53.3 2.0 -3.1 2.4 159 308 B N H X S+ 0 0 8 -4,-3.7 4,-3.7 -5,-0.3 5,-0.4 0.886 111.8 59.5 -64.9 -40.3 -1.5 -2.0 1.4 160 309 B A H X S+ 0 0 3 -4,-3.1 4,-1.6 -5,-0.4 -1,-0.2 0.923 112.1 38.2 -55.2 -48.6 -0.2 -0.5 -1.8 161 310 B T H X S+ 0 0 1 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.885 118.6 49.8 -71.2 -38.3 1.1 -3.8 -3.0 162 311 B A H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.937 113.2 43.9 -66.1 -49.4 -1.8 -5.8 -1.6 163 312 B V H X S+ 0 0 1 -4,-3.7 4,-3.7 1,-0.2 5,-0.5 0.869 110.4 57.5 -65.0 -36.1 -4.5 -3.6 -3.1 164 313 B V H X S+ 0 0 3 -4,-1.6 4,-1.9 -5,-0.4 5,-0.3 0.938 110.6 41.4 -60.5 -48.3 -2.7 -3.5 -6.4 165 314 B R H X S+ 0 0 53 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.828 121.4 43.9 -68.3 -32.9 -2.7 -7.3 -6.8 166 315 B H H X S+ 0 0 31 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.950 116.3 42.1 -77.4 -53.7 -6.2 -7.5 -5.5 167 316 B M H X S+ 0 0 0 -4,-3.7 4,-0.6 1,-0.2 -3,-0.2 0.901 118.6 46.7 -61.7 -42.0 -7.9 -4.7 -7.4 168 317 B R H >< S+ 0 0 97 -4,-1.9 3,-0.8 -5,-0.5 -1,-0.2 0.855 109.3 55.6 -68.0 -35.9 -6.1 -5.6 -10.6 169 318 B K H 3< S+ 0 0 152 -4,-1.0 -2,-0.2 -5,-0.3 -1,-0.2 0.905 97.8 61.1 -63.3 -42.6 -6.9 -9.3 -10.1 170 319 B L H 3< 0 0 87 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.751 360.0 360.0 -56.9 -23.2 -10.6 -8.6 -9.9 171 320 B Q << 0 0 93 -3,-0.8 -124,-0.1 -4,-0.6 -3,-0.0 -0.038 360.0 360.0 -71.5 360.0 -10.3 -7.2 -13.4