==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CONTRACTILE SYSTEM PROTEIN 28-SEP-87 4TNC . COMPND 2 MOLECULE: TROPONIN C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR M.SUNDARALINGAM . 160 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10039.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 70.0 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 3.8 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 . 6 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 53.8 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 2 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 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 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 3 A A > 0 0 78 0, 0.0 4,-3.3 0, 0.0 5,-0.4 0.000 360.0 360.0 360.0 152.5 5.0 18.3 8.3 2 4 A M H > + 0 0 162 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.797 360.0 49.8 -48.2 -29.6 8.3 18.4 6.4 3 5 A D H > S+ 0 0 118 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.810 111.4 45.6 -68.9 -50.6 6.5 20.2 3.6 4 6 A Q H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.975 112.6 52.2 -61.8 -48.3 4.9 22.7 5.7 5 7 A Q H X S+ 0 0 33 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.894 108.8 50.7 -63.8 -41.8 8.3 23.2 7.5 6 8 A A H X S+ 0 0 64 -4,-1.4 4,-1.5 -5,-0.4 -1,-0.2 0.881 110.9 49.3 -69.3 -32.1 10.0 23.7 4.0 7 9 A E H X S+ 0 0 125 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.893 106.7 55.4 -75.5 -28.7 7.3 26.3 3.2 8 10 A A H X S+ 0 0 2 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.853 109.4 48.1 -67.2 -36.8 7.8 28.2 6.6 9 11 A R H < S+ 0 0 82 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.809 107.3 53.8 -69.7 -36.5 11.5 28.5 5.7 10 12 A A H < S+ 0 0 90 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.801 104.7 58.7 -63.2 -34.3 10.8 29.8 2.1 11 13 A F H < S+ 0 0 107 -4,-1.2 2,-0.3 -5,-0.1 -1,-0.2 0.755 102.9 59.2 -70.9 -34.1 8.6 32.5 3.6 12 14 A L S < S- 0 0 18 -4,-0.7 2,-0.1 -3,-0.4 69,-0.0 -0.671 83.2-112.4-103.1 153.5 11.3 34.0 5.8 13 15 A S > - 0 0 55 -2,-0.3 4,-1.7 1,-0.1 3,-0.3 -0.561 31.3-118.4 -81.9 159.8 14.7 35.6 5.2 14 16 A E H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.858 114.6 53.9 -58.7 -42.7 17.6 33.7 6.4 15 17 A E H > S+ 0 0 144 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.862 109.1 50.0 -64.5 -30.7 18.6 36.6 8.8 16 18 A M H > S+ 0 0 59 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.848 107.7 51.6 -71.2 -34.7 15.1 36.5 10.2 17 19 A I H X S+ 0 0 4 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.892 111.6 48.9 -65.3 -40.8 15.3 32.7 10.8 18 20 A A H X S+ 0 0 55 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.796 109.2 51.8 -73.4 -29.1 18.6 33.2 12.6 19 21 A E H X S+ 0 0 108 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.814 110.7 48.7 -69.5 -36.7 17.1 36.0 14.7 20 22 A F H X S+ 0 0 5 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.932 110.7 50.5 -66.9 -44.8 14.2 33.7 15.7 21 23 A K H X S+ 0 0 66 -4,-1.9 4,-3.4 1,-0.2 5,-0.3 0.856 102.9 60.1 -59.2 -43.2 16.6 30.9 16.5 22 24 A A H X S+ 0 0 65 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.918 113.1 37.9 -52.3 -49.9 18.7 33.3 18.8 23 25 A A H >X S+ 0 0 13 -4,-1.4 3,-0.8 2,-0.2 4,-0.6 0.983 116.2 51.9 -67.3 -55.8 15.6 33.9 21.0 24 26 A F H >< S+ 0 0 0 -4,-2.4 3,-2.4 1,-0.2 4,-0.3 0.947 106.4 53.9 -46.9 -55.6 14.4 30.3 20.8 25 27 A D H >< S+ 0 0 62 -4,-3.4 3,-1.7 1,-0.3 -1,-0.2 0.860 93.6 71.5 -52.7 -33.1 17.9 28.9 21.8 26 28 A M H << S+ 0 0 128 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.789 99.2 46.3 -59.3 -24.0 17.8 31.0 24.9 27 29 A F T << S+ 0 0 52 -3,-2.4 2,-0.5 -4,-0.6 9,-0.5 0.268 100.7 77.9-101.8 9.3 14.9 28.7 26.3 28 30 A D X + 0 0 12 -3,-1.7 3,-0.5 -4,-0.3 -1,-0.2 -0.741 42.9 159.8-124.3 85.8 16.9 25.5 25.4 29 31 A A T 3 S+ 0 0 109 -2,-0.5 -1,-0.2 1,-0.2 6,-0.1 0.815 74.0 65.7 -67.4 -38.6 19.6 24.9 27.8 30 32 A D T 3 S- 0 0 113 4,-0.2 -1,-0.2 -3,-0.2 5,-0.1 0.511 97.7-136.5 -57.3 -26.8 19.8 21.2 26.8 31 33 A G < + 0 0 64 -3,-0.5 -2,-0.1 3,-0.2 -1,-0.1 0.871 64.0 136.2 56.3 38.5 21.0 22.3 23.3 32 34 A G S S- 0 0 52 2,-0.4 3,-0.1 0, 0.0 -1,-0.1 0.671 75.0-114.0 -85.0 -30.6 18.5 19.7 22.3 33 35 A G S S+ 0 0 27 1,-0.5 40,-1.8 -5,-0.1 2,-0.3 0.499 87.4 84.5 104.0 6.8 17.0 21.9 19.5 34 36 A D E -A 72 0A 47 38,-0.2 -1,-0.5 39,-0.1 -2,-0.4 -0.948 59.0-151.9-146.6 160.2 13.7 22.1 21.3 35 37 A I E -A 71 0A 2 36,-2.5 36,-2.5 -2,-0.3 2,-0.2 -0.872 35.1 -85.2-129.2 163.3 12.0 24.0 24.0 36 38 A S E >> -A 70 0A 47 -9,-0.5 3,-1.5 -2,-0.3 4,-0.6 -0.479 29.2-133.5 -68.9 133.4 9.3 23.4 26.6 37 39 A T G >4 S+ 0 0 21 32,-2.0 3,-0.6 1,-0.3 4,-0.4 0.750 106.8 68.5 -64.2 -21.8 5.7 23.9 25.3 38 40 A K G 34 S+ 0 0 193 31,-0.4 4,-0.3 1,-0.2 -1,-0.3 0.800 101.7 44.7 -67.3 -30.7 5.2 25.9 28.5 39 41 A E G <> S+ 0 0 70 -3,-1.5 4,-1.9 1,-0.1 3,-0.4 0.583 85.0 98.6 -89.0 -11.4 7.6 28.6 27.1 40 42 A L H S+ 0 0 7 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.876 108.7 53.9 -58.1 -42.5 4.0 31.7 24.2 42 44 A T H > S+ 0 0 55 -3,-0.4 4,-2.3 -4,-0.3 -1,-0.2 0.906 109.8 45.1 -60.7 -46.9 6.8 33.7 25.7 43 45 A V H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.946 113.6 50.9 -67.2 -37.4 9.2 33.2 22.7 44 46 A M H <>S+ 0 0 0 -4,-2.2 5,-2.6 -5,-0.3 3,-0.2 0.917 112.3 47.1 -62.4 -42.9 6.3 34.1 20.2 45 47 A R H ><5S+ 0 0 106 -4,-2.1 3,-1.7 3,-0.2 -1,-0.2 0.814 108.8 54.9 -63.0 -41.6 5.5 37.3 22.2 46 48 A M H 3<5S+ 0 0 98 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.793 105.6 52.0 -60.6 -35.7 9.1 38.2 22.3 47 49 A L T 3<5S- 0 0 31 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.177 128.2-100.4 -87.5 11.0 9.2 38.0 18.5 48 50 A G T < 5S+ 0 0 59 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.594 80.6 131.3 70.9 23.0 6.2 40.3 18.3 49 51 A Q < - 0 0 21 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.619 41.6-157.0-101.3 158.3 3.5 37.7 17.8 50 52 A N + 0 0 112 -2,-0.3 2,-0.1 33,-0.1 -9,-0.1 -0.479 14.7 175.2-132.4 68.3 0.3 37.6 19.8 51 53 A P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -6,-0.0 -0.421 32.4-120.8 -72.6 157.5 -1.5 34.2 19.9 52 54 A T > - 0 0 79 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.434 28.9-107.4 -82.5 166.5 -4.5 33.9 22.1 53 55 A K H > S+ 0 0 145 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.895 124.0 52.8 -64.3 -35.5 -4.4 31.3 24.8 54 56 A E H > S+ 0 0 124 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.945 109.7 49.2 -63.3 -47.3 -6.9 29.1 22.8 55 57 A E H > S+ 0 0 39 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.954 111.3 48.8 -59.9 -48.3 -4.5 29.5 19.9 56 58 A L H X S+ 0 0 7 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.889 110.7 50.8 -56.0 -41.9 -1.5 28.5 22.0 57 59 A D H X S+ 0 0 97 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.897 107.8 52.2 -64.8 -35.1 -3.4 25.5 23.3 58 60 A A H X S+ 0 0 29 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.868 110.7 49.5 -64.0 -46.5 -4.4 24.3 19.8 59 61 A I H X S+ 0 0 13 -4,-1.7 4,-2.3 1,-0.2 5,-0.3 0.903 108.9 49.5 -63.4 -50.9 -0.7 24.4 18.7 60 62 A I H X S+ 0 0 41 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.851 110.3 51.3 -60.7 -39.9 0.6 22.5 21.6 61 63 A E H < S+ 0 0 143 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.820 110.6 50.9 -65.2 -38.9 -2.0 19.8 21.1 62 64 A E H < S+ 0 0 75 -4,-1.2 3,-0.4 -5,-0.2 -2,-0.2 0.906 119.7 32.0 -72.9 -40.6 -0.9 19.7 17.4 63 65 A V H < S+ 0 0 21 -4,-2.3 3,-0.4 1,-0.2 2,-0.3 0.761 112.5 60.9 -89.9 -25.0 3.0 19.3 18.0 64 66 A D >< + 0 0 35 -4,-1.9 3,-0.7 -5,-0.3 -1,-0.2 -0.247 54.8 131.5-101.2 46.0 2.9 17.3 21.2 65 67 A E T 3 S+ 0 0 178 -3,-0.4 -1,-0.2 -2,-0.3 -2,-0.1 0.735 74.2 51.7 -77.5 -9.6 1.2 14.3 20.1 66 68 A D T 3 S- 0 0 128 -3,-0.4 -1,-0.2 0, 0.0 -2,-0.1 0.493 108.2-119.8 -97.5 -5.3 4.0 12.0 21.8 67 69 A G S < S+ 0 0 62 -3,-0.7 -2,-0.1 3,-0.1 -3,-0.1 0.682 73.3 129.3 77.2 18.0 3.7 13.7 25.2 68 70 A S - 0 0 69 2,-0.2 3,-0.1 1,-0.0 -4,-0.1 0.774 66.2-132.2 -78.2 -22.1 7.3 14.8 25.4 69 71 A G + 0 0 23 1,-0.3 -32,-2.0 -9,-0.1 -31,-0.4 0.720 67.0 103.1 82.0 22.7 6.3 18.4 26.3 70 72 A T E -A 36 0A 36 -34,-0.3 2,-0.4 -7,-0.1 -1,-0.3 -0.848 55.8-148.1-135.1 164.4 8.6 20.2 23.7 71 73 A I E -A 35 0A 0 -36,-2.5 -36,-2.5 -2,-0.3 2,-0.2 -0.983 22.8-137.0-129.4 132.2 8.3 21.9 20.4 72 74 A D E > -A 34 0A 53 -2,-0.4 4,-1.8 -38,-0.2 -38,-0.2 -0.523 26.0-107.5 -90.9 157.4 11.3 21.6 18.0 73 75 A F H > S+ 0 0 15 -40,-1.8 4,-1.5 1,-0.2 5,-0.1 0.692 117.0 54.9 -57.9 -36.3 12.6 24.8 16.0 74 76 A E H > S+ 0 0 72 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.831 113.2 41.6 -68.9 -44.5 11.3 23.4 12.6 75 77 A E H > S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.850 111.9 56.3 -70.3 -34.2 7.8 23.0 14.0 76 78 A F H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 5,-0.2 0.914 104.8 52.0 -62.9 -41.4 8.2 26.4 15.8 77 79 A L H X S+ 0 0 1 -4,-1.5 4,-1.9 1,-0.2 5,-0.3 0.887 106.7 53.9 -66.0 -40.5 8.9 28.2 12.5 78 80 A V H X S+ 0 0 7 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.949 112.8 43.9 -59.9 -37.9 5.7 26.6 11.0 79 81 A M H X S+ 0 0 3 -4,-1.6 4,-3.3 2,-0.2 5,-0.2 0.936 111.8 52.3 -68.3 -46.8 3.6 28.1 14.0 80 82 A M H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.903 111.5 46.4 -55.4 -52.7 5.3 31.5 13.9 81 83 A V H X S+ 0 0 8 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.937 111.4 51.7 -66.1 -43.5 4.6 31.8 10.1 82 84 A R H X S+ 0 0 84 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.990 113.0 45.8 -60.9 -49.6 1.0 30.7 10.7 83 85 A Q H X S+ 0 0 8 -4,-3.3 4,-2.0 1,-0.2 5,-0.3 0.856 110.2 53.9 -57.9 -38.4 0.6 33.4 13.4 84 86 A M H X S+ 0 0 42 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.942 109.2 47.6 -64.5 -42.8 2.3 36.2 11.3 85 87 A K H X S+ 0 0 113 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.953 112.4 49.1 -63.6 -46.9 -0.1 35.7 8.4 86 88 A E H X S+ 0 0 89 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.839 116.5 43.5 -61.3 -41.6 -3.1 35.7 10.7 87 89 A D H X S+ 0 0 51 -4,-2.0 4,-1.8 2,-0.2 5,-0.2 0.926 111.9 50.6 -67.8 -54.3 -1.8 38.9 12.4 88 90 A A H X S+ 0 0 65 -4,-2.9 4,-2.0 -5,-0.3 3,-0.3 0.938 111.7 49.8 -60.4 -39.2 -0.8 40.8 9.2 89 91 A K H X S+ 0 0 129 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.865 107.4 54.9 -64.7 -33.6 -4.2 40.0 7.7 90 92 A G H X S+ 0 0 31 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.858 108.3 46.5 -62.6 -39.2 -5.8 41.3 10.8 91 93 A K H X S+ 0 0 123 -4,-1.8 4,-3.2 -3,-0.3 5,-0.2 0.844 110.3 55.9 -68.6 -44.7 -4.0 44.8 10.7 92 94 A S H X S+ 0 0 61 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.730 108.7 43.5 -62.3 -38.2 -4.8 45.0 7.1 93 95 A E H X S+ 0 0 96 -4,-2.0 4,-1.8 2,-0.2 5,-0.2 0.868 114.3 52.8 -71.6 -43.1 -8.6 44.6 7.7 94 96 A E H X S+ 0 0 108 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.897 111.9 44.6 -56.9 -46.2 -8.3 47.1 10.7 95 97 A E H X S+ 0 0 92 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.853 108.1 56.6 -68.5 -30.8 -6.6 49.7 8.6 96 98 A L H X S+ 0 0 26 -4,-1.2 4,-1.9 2,-0.3 -2,-0.2 0.923 105.7 52.0 -64.7 -42.2 -9.0 49.2 5.7 97 99 A A H X S+ 0 0 31 -4,-1.8 4,-2.0 1,-0.2 5,-0.3 0.831 110.1 50.6 -58.9 -41.2 -11.9 50.0 8.1 98 100 A D H X S+ 0 0 53 -4,-1.5 4,-1.6 -5,-0.2 -2,-0.3 0.974 108.3 49.3 -71.6 -43.2 -10.0 53.1 9.0 99 101 A C H X S+ 0 0 48 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.769 109.7 55.3 -61.1 -34.4 -9.5 54.3 5.3 100 102 A F H X S+ 0 0 14 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.896 105.7 47.9 -61.3 -56.8 -13.2 53.7 4.7 101 103 A R H < S+ 0 0 169 -4,-2.0 6,-0.2 1,-0.2 -1,-0.2 0.898 113.7 49.9 -52.1 -41.9 -14.4 56.0 7.6 102 104 A I H < S+ 0 0 124 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.966 109.2 48.5 -67.7 -43.1 -12.0 58.6 6.4 103 105 A F H < S+ 0 0 20 -4,-1.7 2,-1.8 1,-0.2 -2,-0.2 0.834 101.2 73.0 -55.3 -46.0 -13.2 58.4 2.7 104 106 A D >< + 0 0 13 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 -0.507 66.2 172.0 -86.9 81.2 -16.8 58.7 4.0 105 107 A K T 3 S+ 0 0 82 -2,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.811 76.0 39.0 -58.8 -36.9 -16.6 62.2 4.9 106 108 A N T 3 S- 0 0 92 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.473 103.2-134.4-101.1 3.2 -20.1 62.7 5.8 107 109 A A < + 0 0 79 -3,-0.9 -2,-0.1 -6,-0.2 4,-0.1 0.692 58.2 139.7 44.2 50.5 -20.2 59.4 7.4 108 110 A D S S- 0 0 77 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.252 80.3 -98.5 -93.8 3.8 -23.5 58.2 5.9 109 111 A G S S+ 0 0 39 1,-0.2 40,-0.4 -5,-0.1 2,-0.3 0.587 96.9 77.2 89.4 4.5 -21.9 54.6 5.4 110 112 A F S S- 0 0 52 38,-0.1 2,-0.6 39,-0.1 -2,-0.4 -0.980 72.5-130.0-148.5 148.7 -21.0 55.1 1.7 111 113 A I B -B 147 0B 0 36,-3.7 36,-2.2 -2,-0.3 -7,-0.1 -0.901 31.8-159.3 -90.5 121.9 -18.4 56.8 -0.5 112 114 A D > - 0 0 39 -2,-0.6 4,-3.3 34,-0.2 5,-0.2 -0.467 34.7 -99.8 -96.6 179.6 -20.2 58.9 -3.3 113 115 A I H > S+ 0 0 53 32,-0.5 4,-2.2 1,-0.2 5,-0.1 0.763 124.8 54.9 -61.2 -31.4 -18.6 60.1 -6.6 114 116 A E H > S+ 0 0 141 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.798 114.1 38.4 -64.0 -43.7 -18.0 63.6 -4.9 115 117 A E H > S+ 0 0 11 -3,-0.2 4,-1.9 2,-0.2 5,-0.2 0.915 115.5 54.3 -71.6 -43.3 -16.1 62.1 -1.9 116 118 A L H X S+ 0 0 0 -4,-3.3 4,-1.8 1,-0.2 5,-0.3 0.951 113.2 43.7 -59.3 -48.4 -14.3 59.5 -4.3 117 119 A G H X S+ 0 0 3 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.913 111.4 53.1 -59.9 -43.6 -13.1 62.4 -6.5 118 120 A E H X S+ 0 0 116 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.950 113.0 42.2 -58.9 -52.7 -12.1 64.6 -3.6 119 121 A I H < S+ 0 0 50 -4,-1.9 4,-0.3 -5,-0.2 -1,-0.2 0.880 117.4 47.1 -69.5 -32.0 -9.8 62.0 -2.0 120 122 A L H ><>S+ 0 0 38 -4,-1.8 3,-0.9 -5,-0.2 5,-0.5 0.845 113.4 48.4 -77.5 -36.0 -8.4 60.9 -5.4 121 123 A R H ><5S+ 0 0 117 -4,-2.3 3,-1.5 -5,-0.3 -2,-0.2 0.955 102.9 61.8 -63.2 -44.5 -7.7 64.5 -6.5 122 124 A A T 3<5S+ 0 0 82 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.585 87.2 77.2 -60.7 -21.2 -6.1 65.2 -3.1 123 125 A T T < 5S- 0 0 89 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.785 102.5-125.3 -62.2 -30.7 -3.4 62.5 -4.1 124 126 A G T < 5S+ 0 0 61 -3,-1.5 -2,-0.1 -4,-0.4 -3,-0.1 0.316 70.7 129.2 98.6 -3.7 -1.6 65.0 -6.5 125 127 A E S - 0 0 70 -2,-0.4 4,-1.6 1,-0.0 3,-0.4 -0.516 30.4-104.4-101.9 166.8 -9.5 63.2 -14.8 129 131 A E H > S+ 0 0 72 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.817 122.0 53.4 -65.0 -35.1 -13.2 63.2 -14.0 130 132 A E H > S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.866 104.9 55.3 -71.4 -25.0 -13.8 60.2 -16.4 131 133 A D H > S+ 0 0 71 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.886 111.4 44.4 -67.4 -41.8 -11.0 58.2 -14.6 132 134 A I H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.869 113.5 50.2 -70.1 -36.2 -12.9 58.7 -11.2 133 135 A E H X S+ 0 0 80 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.838 108.6 52.3 -70.0 -35.8 -16.2 57.9 -12.8 134 136 A D H X S+ 0 0 72 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.905 109.0 50.0 -63.9 -43.0 -14.7 54.7 -14.3 135 137 A L H X S+ 0 0 62 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.913 112.7 47.6 -57.6 -49.1 -13.4 53.6 -10.8 136 138 A M H X S+ 0 0 13 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.956 111.6 51.8 -54.1 -52.6 -16.9 54.2 -9.4 137 139 A K H < S+ 0 0 141 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.951 111.9 44.3 -54.0 -47.6 -18.5 52.3 -12.2 138 140 A D H < S+ 0 0 125 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.943 117.5 43.2 -70.3 -32.0 -16.4 49.4 -11.8 139 141 A S H < S+ 0 0 6 -4,-2.3 2,-1.4 -5,-0.2 -2,-0.2 0.845 90.5 87.6 -84.5 -29.4 -16.6 49.2 -8.0 140 142 A D >< + 0 0 13 -4,-2.9 3,-0.5 -5,-0.2 -1,-0.1 -0.583 51.9 172.2 -75.1 91.4 -20.3 49.9 -7.6 141 143 A K T 3 S+ 0 0 82 -2,-1.4 -1,-0.2 1,-0.2 6,-0.1 0.769 75.6 44.1 -78.4 -24.9 -21.6 46.4 -7.9 142 144 A N T 3 S- 0 0 92 4,-0.3 -1,-0.2 0, 0.0 -2,-0.1 0.261 104.2-128.8-102.6 10.8 -25.3 47.0 -7.0 143 145 A N < + 0 0 141 -3,-0.5 -2,-0.1 1,-0.1 -6,-0.0 0.777 68.1 130.7 49.1 39.8 -25.4 50.2 -9.3 144 146 A D S S- 0 0 53 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.200 79.8-107.3 -94.9 6.7 -26.8 52.5 -6.7 145 147 A G S S+ 0 0 39 1,-0.2 -32,-0.5 -5,-0.1 2,-0.3 0.275 86.7 80.1 86.0 -12.2 -24.0 55.2 -7.4 146 148 A R S S- 0 0 92 -34,-0.2 2,-0.6 -33,-0.0 -2,-0.3 -0.825 73.6-119.1-131.7 167.5 -22.0 54.7 -4.2 147 149 A I B -B 111 0B 0 -36,-2.2 -36,-3.7 -2,-0.3 2,-0.1 -0.949 27.3-166.8-108.5 111.7 -19.4 52.5 -2.7 148 150 A D > - 0 0 44 -2,-0.6 4,-1.8 -38,-0.3 3,-0.2 -0.364 40.8 -95.9 -92.0 174.5 -20.4 50.8 0.6 149 151 A F H > S+ 0 0 77 -40,-0.4 4,-2.9 1,-0.2 5,-0.2 0.884 124.8 54.6 -60.4 -40.2 -17.8 49.1 2.8 150 152 A D H > S+ 0 0 89 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.934 112.5 42.1 -56.7 -47.9 -18.4 45.7 1.3 151 153 A E H > S+ 0 0 6 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.797 111.7 58.9 -70.8 -28.1 -17.8 47.1 -2.3 152 154 A F H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.4 0.941 105.0 47.8 -64.1 -50.9 -14.8 49.2 -0.8 153 155 A L H X S+ 0 0 28 -4,-2.9 4,-1.8 1,-0.2 5,-0.3 0.882 112.0 50.5 -61.6 -42.2 -13.1 46.1 0.4 154 156 A K H X S+ 0 0 49 -4,-1.7 4,-1.8 6,-0.2 -2,-0.2 0.874 113.2 46.1 -67.1 -38.1 -13.6 44.4 -3.0 155 157 A M H < S+ 0 0 39 -4,-2.6 -2,-0.2 5,-0.2 -1,-0.2 0.927 117.3 41.1 -67.7 -41.8 -12.2 47.4 -4.8 156 158 A M H < S+ 0 0 90 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.973 117.2 44.3 -66.8 -59.2 -9.1 47.8 -2.6 157 159 A E H < S- 0 0 86 -4,-1.8 2,-0.3 -5,-0.4 -2,-0.2 0.943 94.9-160.3 -64.8 -40.2 -8.1 44.2 -2.1 158 160 A G S < S+ 0 0 59 -4,-1.8 -1,-0.1 -5,-0.3 -4,-0.1 -0.203 80.8 54.4 110.2 -52.6 -8.7 43.6 -5.9 159 161 A V 0 0 160 -2,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.674 360.0 360.0 -89.1 -53.6 -9.1 40.1 -6.5 160 162 A Q 0 0 90 -7,-0.2 -6,-0.2 -4,-0.1 -5,-0.2 0.787 360.0 360.0 -51.5 360.0 -11.7 40.9 -3.9