==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (CALCIUM-BINDING/TRANSFERASE) 23-SEP-97 1CM1 . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.E.WALL,G.N.PHILLIPS JR. . 161 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8654.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 67.1 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 3.1 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 . 13 8.1 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 . 79 49.1 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 0 1 2 2 2 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 0 107 0, 0.0 5,-0.1 0, 0.0 69,-0.0 0.000 360.0 360.0 360.0 113.6 27.5 56.6 89.0 2 5 A T > - 0 0 70 1,-0.1 4,-2.2 3,-0.1 5,-0.2 -0.003 360.0-111.1 -67.3 165.8 26.3 60.3 89.0 3 6 A E H > S+ 0 0 156 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.876 118.7 47.3 -61.1 -45.0 22.9 61.8 89.4 4 7 A E H > S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.882 111.0 53.3 -69.8 -35.6 22.8 63.1 85.8 5 8 A Q H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.885 108.4 48.0 -68.3 -37.1 24.0 59.7 84.5 6 9 A I H X S+ 0 0 61 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.823 112.5 51.4 -71.6 -27.1 21.2 57.7 86.3 7 10 A A H X S+ 0 0 33 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.801 109.5 48.6 -76.8 -30.6 18.8 60.3 84.9 8 11 A E H X S+ 0 0 6 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.900 112.8 47.7 -71.8 -43.8 20.1 59.8 81.3 9 12 A F H X S+ 0 0 13 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.838 110.0 53.3 -66.4 -31.9 19.9 56.0 81.7 10 13 A K H X S+ 0 0 114 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.852 109.1 49.9 -68.7 -33.9 16.4 56.4 83.0 11 14 A E H X S+ 0 0 33 -4,-1.1 4,-0.8 2,-0.2 -2,-0.2 0.915 111.7 46.5 -70.2 -42.1 15.6 58.4 79.9 12 15 A A H >X S+ 0 0 0 -4,-2.2 4,-1.1 1,-0.2 3,-0.5 0.867 110.3 55.0 -67.0 -34.2 17.1 55.7 77.6 13 16 A F H 3X S+ 0 0 11 -4,-2.4 4,-2.1 1,-0.2 3,-0.4 0.890 102.8 56.5 -62.9 -44.6 15.1 53.1 79.6 14 17 A S H 3< S+ 0 0 68 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.706 103.9 52.9 -61.1 -26.2 11.8 55.0 79.0 15 18 A L H << S+ 0 0 11 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.778 112.0 43.6 -84.2 -29.1 12.3 54.9 75.2 16 19 A F H < S+ 0 0 6 -4,-1.1 2,-2.0 -3,-0.4 -2,-0.2 0.837 101.3 72.5 -78.9 -34.0 12.8 51.1 75.0 17 20 A D >< + 0 0 16 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 -0.504 65.6 172.7 -83.5 75.3 9.9 50.5 77.5 18 21 A K T 3 S+ 0 0 98 -2,-2.0 -1,-0.2 1,-0.3 6,-0.1 0.743 74.3 40.4 -59.9 -33.9 7.2 51.4 75.0 19 22 A D T 3 S- 0 0 106 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.575 105.7-127.1 -90.1 -11.7 4.2 50.4 77.0 20 23 A G < + 0 0 57 -3,-0.8 -2,-0.1 3,-0.1 4,-0.1 0.851 64.9 134.3 74.6 37.2 5.7 51.9 80.2 21 24 A D S S- 0 0 96 2,-0.3 3,-0.1 0, 0.0 -1,-0.1 0.418 76.2-106.2 -97.6 0.9 5.3 48.9 82.5 22 25 A G S S+ 0 0 32 1,-0.2 40,-0.5 -5,-0.1 2,-0.3 0.437 91.5 84.8 93.9 -1.2 8.8 49.0 83.9 23 26 A T - 0 0 30 38,-0.2 2,-0.6 39,-0.1 -2,-0.3 -0.970 66.6-139.5-129.4 149.4 10.3 46.0 82.1 24 27 A I B -A 60 0A 1 36,-2.0 36,-1.4 -2,-0.3 2,-0.1 -0.944 23.5-163.0-108.4 120.3 11.9 45.8 78.6 25 28 A T > - 0 0 32 -2,-0.6 4,-1.6 -9,-0.2 5,-0.1 -0.376 35.7-105.1 -88.5 174.2 10.9 42.6 76.8 26 29 A T H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.830 121.3 59.4 -67.1 -30.1 12.6 41.1 73.8 27 30 A K H > S+ 0 0 155 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.861 105.8 45.2 -65.6 -40.6 9.6 42.5 71.7 28 31 A E H > S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.826 112.2 52.3 -73.1 -34.3 10.3 46.1 72.7 29 32 A L H X S+ 0 0 11 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.916 113.4 45.0 -62.1 -43.6 14.0 45.6 72.0 30 33 A G H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.911 112.7 49.4 -67.0 -46.7 13.1 44.3 68.6 31 34 A T H X S+ 0 0 64 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.864 113.6 45.8 -64.0 -38.8 10.6 47.0 67.7 32 35 A V H X S+ 0 0 1 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.897 114.0 48.7 -73.7 -39.7 12.9 49.8 68.7 33 36 A M H ><>S+ 0 0 7 -4,-2.0 5,-2.5 -5,-0.2 3,-0.6 0.886 111.7 49.2 -66.1 -36.5 15.9 48.3 66.9 34 37 A R H ><5S+ 0 0 120 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.846 104.7 58.1 -70.9 -32.3 13.8 47.8 63.7 35 38 A S H 3<5S+ 0 0 39 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.609 105.7 51.6 -70.7 -15.4 12.5 51.4 63.8 36 39 A L T <<5S- 0 0 19 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.007 129.5 -97.8-107.3 22.8 16.1 52.5 63.6 37 40 A G T < 5S+ 0 0 68 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.692 83.8 125.5 74.2 23.0 16.8 50.3 60.6 38 41 A Q < - 0 0 89 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.735 46.0-153.8-107.6 159.3 18.4 47.3 62.4 39 42 A N - 0 0 134 -2,-0.3 -9,-0.1 -5,-0.0 -5,-0.0 -0.528 16.7-178.0-136.3 74.3 17.2 43.7 62.1 40 43 A P - 0 0 20 0, 0.0 2,-0.2 0, 0.0 -6,-0.0 -0.306 22.5-125.7 -70.4 148.9 18.0 41.5 65.1 41 44 A T > - 0 0 63 1,-0.1 4,-2.1 -2,-0.0 5,-0.2 -0.529 24.9-109.1 -89.8 164.1 17.2 37.8 65.3 42 45 A E H > S+ 0 0 154 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.845 120.8 50.6 -58.8 -33.7 15.1 36.2 68.1 43 46 A A H > S+ 0 0 45 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.812 109.8 48.6 -74.7 -34.9 18.3 34.4 69.4 44 47 A E H > S+ 0 0 105 2,-0.2 4,-1.5 -3,-0.2 -2,-0.2 0.843 113.1 48.5 -72.6 -34.5 20.3 37.7 69.4 45 48 A L H X S+ 0 0 14 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.846 111.1 50.1 -71.8 -36.7 17.5 39.4 71.3 46 49 A Q H X S+ 0 0 85 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.868 110.6 49.1 -71.8 -36.5 17.3 36.6 73.8 47 50 A D H X S+ 0 0 90 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.850 106.6 57.9 -69.4 -32.8 21.1 36.7 74.4 48 51 A M H X S+ 0 0 55 -4,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.864 113.3 37.7 -64.3 -41.8 20.9 40.4 74.9 49 52 A I H >X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 3,-0.5 0.905 111.3 59.3 -75.2 -42.7 18.4 40.1 77.7 50 53 A N H 3< S+ 0 0 90 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.750 104.5 53.0 -59.0 -26.1 20.1 36.9 79.1 51 54 A E H 3< S+ 0 0 121 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.876 117.4 35.3 -71.3 -42.3 23.3 38.9 79.6 52 55 A V H << S+ 0 0 18 -4,-0.8 2,-0.9 -3,-0.5 -2,-0.2 0.780 91.7 104.2 -83.3 -29.2 21.6 41.7 81.6 53 56 A D < + 0 0 25 -4,-2.7 7,-0.1 1,-0.2 -1,-0.1 -0.392 34.5 163.5 -70.5 95.4 19.0 39.5 83.4 54 57 A A S S+ 0 0 89 -2,-0.9 -1,-0.2 1,-0.2 6,-0.1 0.942 76.2 40.6 -76.3 -50.8 20.2 39.1 87.0 55 58 A D S S- 0 0 90 4,-0.1 -1,-0.2 1,-0.0 -2,-0.1 0.456 101.9-128.7 -83.1 -2.9 17.0 37.8 88.7 56 59 A G + 0 0 56 3,-0.1 -3,-0.0 1,-0.1 -1,-0.0 0.670 67.6 127.1 71.6 21.6 16.0 35.5 85.8 57 60 A N S S- 0 0 99 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.464 81.0-110.5 -88.4 3.6 12.4 36.5 85.0 58 61 A G S S+ 0 0 30 1,-0.3 2,-0.2 -9,-0.1 -32,-0.2 0.298 87.4 82.8 93.4 -10.7 13.3 37.0 81.3 59 62 A T S S- 0 0 26 -34,-0.1 2,-0.6 -10,-0.1 -1,-0.3 -0.641 74.8-117.1-118.6 175.3 12.9 40.8 81.2 60 63 A I B -A 24 0A 4 -36,-1.4 -36,-2.0 -2,-0.2 2,-0.1 -0.958 26.2-171.3-117.6 113.3 15.0 43.8 82.1 61 64 A D > - 0 0 45 -2,-0.6 4,-1.8 -38,-0.2 3,-0.2 -0.404 45.1 -91.3 -85.7 179.3 13.8 46.2 84.9 62 65 A F H > S+ 0 0 35 -40,-0.5 4,-2.0 1,-0.2 5,-0.1 0.887 123.1 56.7 -68.3 -38.8 15.5 49.5 85.5 63 66 A P H > S+ 0 0 83 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.897 111.0 45.8 -50.7 -41.0 18.1 48.2 88.2 64 67 A E H > S+ 0 0 7 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.904 110.5 51.5 -70.8 -40.3 19.3 45.6 85.7 65 68 A F H X S+ 0 0 6 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.853 108.1 54.7 -59.2 -37.8 19.6 48.2 82.9 66 69 A L H X S+ 0 0 41 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.856 106.5 49.9 -66.1 -36.6 21.6 50.3 85.3 67 70 A T H X S+ 0 0 96 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.883 108.8 52.9 -70.0 -40.5 24.1 47.4 85.8 68 71 A M H < S+ 0 0 35 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.933 109.2 48.5 -57.1 -50.1 24.5 47.0 82.1 69 72 A M H < S+ 0 0 12 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.785 110.3 51.3 -66.6 -30.3 25.3 50.6 81.6 70 73 A A H < S+ 0 0 69 -4,-1.4 2,-1.2 1,-0.3 -1,-0.2 0.942 116.5 38.0 -72.0 -51.1 27.9 50.7 84.4 71 74 A R S < S- 0 0 227 -4,-2.1 -1,-0.3 -5,-0.1 -4,-0.0 -0.741 107.0-143.9-101.7 79.9 29.8 47.7 83.2 72 75 A K - 0 0 89 -2,-1.2 2,-0.2 -3,-0.4 -3,-0.1 0.020 11.6 -97.0 -53.0 147.1 29.4 48.7 79.5 73 76 A M - 0 0 96 1,-0.1 -1,-0.1 -5,-0.1 2,-0.1 -0.432 42.6-117.0 -70.9 135.3 28.8 46.4 76.6 74 77 A K - 0 0 48 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.356 16.9-116.8 -79.3 149.4 31.8 45.4 74.5 75 78 A D + 0 0 105 1,-0.2 4,-0.1 -2,-0.1 -1,-0.1 -0.645 23.3 179.6 -84.6 132.9 32.6 46.1 70.8 76 79 A T S S- 0 0 136 -2,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.813 87.3 -28.8 -95.5 -44.6 33.0 43.1 68.4 77 80 A D S S+ 0 0 119 1,-0.1 2,-1.2 0, 0.0 3,-0.2 0.391 127.4 78.5-143.0 -30.5 33.7 45.1 65.3 78 81 A S + 0 0 34 1,-0.2 3,-0.2 84,-0.1 -2,-0.2 -0.716 43.4 153.7 -94.0 88.6 31.8 48.4 65.9 79 82 A E + 0 0 120 -2,-1.2 2,-0.8 1,-0.2 -1,-0.2 0.698 67.7 61.0 -83.5 -24.6 34.1 50.4 68.3 80 83 A E > + 0 0 101 -3,-0.2 4,-1.2 1,-0.2 3,-0.3 -0.709 53.4 155.9-108.3 76.6 32.8 53.7 67.1 81 84 A E H > + 0 0 42 -2,-0.8 4,-2.0 -3,-0.2 -1,-0.2 0.625 69.7 71.1 -71.1 -15.4 29.1 53.5 68.0 82 85 A I H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 99.9 43.4 -68.1 -46.2 29.2 57.4 68.1 83 86 A R H > S+ 0 0 100 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.893 113.7 51.5 -67.0 -39.3 29.5 57.5 64.3 84 87 A E H X S+ 0 0 57 -4,-1.2 4,-0.6 1,-0.2 -2,-0.2 0.899 114.8 42.3 -61.3 -44.2 26.8 54.8 63.8 85 88 A A H >X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 3,-0.6 0.853 110.1 57.9 -71.6 -35.6 24.4 56.7 66.0 86 89 A F H 3X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.866 103.0 54.5 -62.8 -38.0 25.4 60.1 64.4 87 90 A R H 3< S+ 0 0 144 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.724 102.0 57.1 -69.0 -22.9 24.4 58.6 61.0 88 91 A V H << S+ 0 0 37 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.852 114.9 38.2 -74.5 -33.7 20.9 57.8 62.4 89 92 A F H < S+ 0 0 1 -4,-1.2 2,-1.7 -3,-0.2 9,-0.2 0.878 105.9 66.6 -82.3 -40.5 20.5 61.5 63.4 90 93 A D >< + 0 0 8 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 -0.572 66.9 174.4 -84.2 76.9 22.2 63.1 60.3 91 94 A K T 3 S+ 0 0 113 -2,-1.7 -1,-0.2 1,-0.3 6,-0.1 0.842 73.7 41.7 -58.6 -43.3 19.5 61.9 57.8 92 95 A D T 3 S- 0 0 112 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.419 104.7-127.4 -88.6 1.9 20.8 63.6 54.7 93 96 A G < + 0 0 55 -3,-1.2 -2,-0.1 -6,-0.1 4,-0.1 0.600 67.1 131.5 71.0 16.1 24.4 62.8 55.5 94 97 A N S S- 0 0 89 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.516 79.3-106.7 -81.1 -1.6 25.8 66.3 55.2 95 98 A G S S+ 0 0 24 1,-0.2 40,-0.5 -5,-0.1 2,-0.4 0.526 91.0 90.1 94.8 6.9 27.7 66.1 58.6 96 99 A Y E -B 134 0B 87 38,-0.2 2,-0.5 39,-0.1 -2,-0.2 -0.989 65.0-142.1-140.1 126.6 25.4 68.4 60.6 97 100 A I E -B 133 0B 5 36,-2.8 36,-2.4 -2,-0.4 2,-0.2 -0.777 24.6-163.1 -88.6 125.7 22.3 67.5 62.6 98 101 A S > - 0 0 28 -2,-0.5 4,-2.3 -9,-0.2 3,-0.3 -0.637 34.7-104.0-100.5 167.4 19.7 70.3 62.2 99 102 A A H > S+ 0 0 30 32,-0.3 4,-2.4 1,-0.2 5,-0.1 0.834 121.1 57.4 -59.8 -31.9 16.7 70.9 64.5 100 103 A A H > S+ 0 0 45 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.887 108.5 44.0 -66.5 -42.5 14.5 69.3 61.8 101 104 A E H > S+ 0 0 8 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.881 112.8 51.1 -71.1 -39.9 16.4 66.1 61.8 102 105 A L H X S+ 0 0 3 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.931 109.3 51.5 -63.8 -42.5 16.6 65.9 65.6 103 106 A R H X S+ 0 0 92 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.873 109.0 52.7 -59.8 -38.0 12.8 66.5 65.7 104 107 A H H X S+ 0 0 106 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.898 108.4 48.2 -64.9 -42.1 12.4 63.6 63.2 105 108 A V H X S+ 0 0 7 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.847 110.5 51.8 -69.3 -33.0 14.5 61.2 65.3 106 109 A M H <>S+ 0 0 1 -4,-2.0 5,-1.4 2,-0.2 -1,-0.2 0.869 110.1 48.4 -71.4 -35.7 12.5 62.0 68.5 107 110 A T H ><5S+ 0 0 89 -4,-1.7 3,-1.2 3,-0.2 -2,-0.2 0.870 110.1 51.5 -70.6 -37.2 9.2 61.4 66.7 108 111 A N H 3<5S+ 0 0 87 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.862 107.8 53.3 -66.9 -35.7 10.4 58.0 65.4 109 112 A L T 3<5S- 0 0 4 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.387 129.3-101.8 -78.2 1.1 11.5 57.1 68.9 110 113 A G T < 5S+ 0 0 57 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.913 77.4 120.5 84.5 46.5 7.9 57.9 69.9 111 114 A E < - 0 0 32 -5,-1.4 2,-0.6 2,-0.0 -1,-0.2 -0.949 49.7-143.6-150.2 129.4 7.8 61.4 71.5 112 115 A K + 0 0 81 -2,-0.3 2,-0.3 -5,-0.1 -9,-0.0 -0.759 29.7 176.1 -85.5 119.6 6.1 64.7 70.8 113 116 A L - 0 0 30 -2,-0.6 2,-0.1 -10,-0.1 -2,-0.0 -0.947 30.3-111.7-128.4 147.3 8.3 67.7 71.6 114 117 A T > - 0 0 77 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.381 28.3-118.6 -72.2 153.5 7.9 71.4 71.1 115 118 A D H > S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.815 118.0 55.4 -63.0 -29.5 10.0 73.3 68.6 116 119 A E H > S+ 0 0 105 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.856 106.4 50.8 -68.5 -37.4 11.5 75.3 71.5 117 120 A E H > S+ 0 0 49 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.870 111.4 46.6 -67.0 -39.6 12.4 72.0 73.3 118 121 A V H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.875 111.7 52.5 -68.6 -37.6 14.2 70.7 70.1 119 122 A D H X S+ 0 0 62 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.791 108.8 49.8 -68.8 -29.8 15.9 74.1 69.8 120 123 A E H X S+ 0 0 62 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.842 108.6 52.6 -76.7 -34.7 17.0 73.8 73.5 121 124 A M H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.929 109.9 48.0 -65.1 -41.8 18.4 70.4 72.8 122 125 A I H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 3,-0.3 0.941 109.9 53.8 -62.1 -45.8 20.4 71.8 69.8 123 126 A R H < S+ 0 0 125 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.798 104.3 55.3 -59.0 -33.1 21.6 74.6 72.0 124 127 A E H < S+ 0 0 87 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.911 116.1 35.8 -65.4 -42.4 22.9 72.1 74.6 125 128 A A H < S+ 0 0 3 -4,-1.5 2,-0.7 -3,-0.3 -2,-0.2 0.707 93.2 100.9 -85.3 -21.0 25.1 70.2 72.1 126 129 A D < + 0 0 29 -4,-2.1 7,-0.1 -5,-0.2 -1,-0.0 -0.538 38.9 168.7 -74.7 107.3 26.1 73.2 70.0 127 130 A I S S+ 0 0 118 -2,-0.7 -1,-0.2 1,-0.1 6,-0.1 0.932 75.3 39.2 -82.1 -52.6 29.7 74.3 71.0 128 131 A D S S- 0 0 94 1,-0.1 -1,-0.1 0, 0.0 -2,-0.1 0.652 104.5-120.1 -78.7 -14.8 30.6 76.8 68.2 129 132 A G S S+ 0 0 58 3,-0.2 -3,-0.1 -6,-0.1 -1,-0.1 0.592 71.2 128.2 91.8 12.9 27.2 78.5 67.9 130 133 A D S S- 0 0 80 2,-0.2 3,-0.1 1,-0.1 -1,-0.0 0.517 79.1-110.9 -80.0 -4.1 26.2 77.8 64.2 131 134 A G S S+ 0 0 40 1,-0.3 -32,-0.3 -9,-0.1 2,-0.3 0.535 88.7 81.1 91.6 8.2 22.8 76.4 65.3 132 135 A Q S S- 0 0 63 -34,-0.1 2,-0.6 -10,-0.1 -1,-0.3 -0.858 75.6-118.5-136.5 169.2 23.6 72.8 64.2 133 136 A V E -B 97 0B 8 -36,-2.4 -36,-2.8 -2,-0.3 -7,-0.1 -0.932 27.9-168.6-116.5 112.5 25.4 69.8 65.8 134 137 A N E > -B 96 0B 19 -2,-0.6 4,-1.4 -38,-0.2 -38,-0.2 -0.228 39.8 -93.0 -85.3-174.2 28.4 68.4 63.9 135 138 A Y H > S+ 0 0 39 -40,-0.5 4,-2.4 1,-0.2 5,-0.1 0.909 122.4 53.1 -66.0 -43.6 30.3 65.1 64.6 136 139 A E H > S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.836 111.3 47.6 -65.0 -32.2 32.9 66.5 66.9 137 140 A E H > S+ 0 0 6 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.800 109.6 53.3 -76.0 -31.9 30.2 68.1 69.1 138 141 A F H X S+ 0 0 5 -4,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.912 110.9 46.9 -66.1 -43.5 28.2 64.9 69.1 139 142 A V H >X S+ 0 0 32 -4,-2.4 4,-2.1 2,-0.2 3,-1.1 0.952 111.5 49.9 -63.8 -52.2 31.3 63.0 70.4 140 143 A Q H 3< S+ 0 0 125 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.851 105.7 58.2 -56.6 -36.9 32.1 65.6 73.1 141 144 A M H 3< S+ 0 0 15 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.803 116.4 33.8 -59.8 -34.4 28.5 65.5 74.2 142 145 A M H << 0 0 35 -3,-1.1 -2,-0.2 -4,-1.0 -1,-0.2 0.649 360.0 360.0 -96.3 -19.5 28.9 61.7 74.9 143 146 A T < 0 0 119 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.1 0.660 360.0 360.0-118.5 360.0 32.5 61.8 76.0 144 !* 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 0.0 145 293 B F 0 0 119 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.4 12.2 69.9 80.7 146 294 B N > - 0 0 80 1,-0.2 4,-1.8 2,-0.0 5,-0.2 -0.956 360.0-171.8-121.4 107.2 15.8 68.9 80.8 147 295 B A H > S+ 0 0 10 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.900 81.6 51.9 -64.0 -47.7 17.2 69.2 77.3 148 296 B R H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.838 113.2 44.7 -62.1 -37.2 20.6 67.6 77.9 149 297 B R H > S+ 0 0 51 2,-0.2 4,-1.5 3,-0.2 -1,-0.2 0.830 112.9 49.6 -80.1 -31.5 19.1 64.5 79.5 150 298 B K H X S+ 0 0 44 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.896 117.0 43.8 -66.2 -39.9 16.4 64.1 76.9 151 299 B L H X S+ 0 0 9 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.939 116.2 43.3 -72.2 -51.1 19.1 64.4 74.2 152 300 B K H X S+ 0 0 22 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.787 112.1 56.6 -67.7 -25.0 21.7 62.2 75.7 153 301 B G H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.882 109.4 44.9 -69.4 -41.3 19.0 59.6 76.6 154 302 B A H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.810 112.9 50.5 -71.8 -33.7 17.9 59.4 72.9 155 303 B I H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.858 110.6 50.5 -70.7 -36.7 21.6 59.2 71.8 156 304 B L H X S+ 0 0 15 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.900 108.2 52.8 -66.5 -41.7 22.2 56.4 74.3 157 305 B T H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.896 111.7 44.9 -60.2 -43.3 19.1 54.5 73.0 158 306 B T H X S+ 0 0 0 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.851 110.6 55.3 -72.6 -32.0 20.3 54.7 69.4 159 307 B M H < S+ 0 0 16 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.903 112.5 41.6 -61.9 -45.4 23.9 53.6 70.5 160 308 B L H < S+ 0 0 30 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.895 112.9 54.5 -70.6 -39.3 22.5 50.5 72.2 161 309 B A H < 0 0 3 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.691 360.0 360.0 -69.3 -19.4 20.1 49.8 69.3 162 310 B T < 0 0 44 -4,-1.2 -3,-0.1 -3,-0.2 -81,-0.1 0.034 360.0 360.0-118.8 360.0 23.0 49.9 66.8