==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 16-JAN-90 256B . COMPND 2 MOLECULE: CYTOCHROME B562; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.HAMADA,P.H.BETHGE,F.S.MATHEWS . 212 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 82.5 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 . 0 0.0 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 0 0 1 1 0 0 0 2 2 0 0 0 0 0 0 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 80 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.5 -1.8 21.0 -6.2 2 2 A D > - 0 0 89 1,-0.1 4,-2.2 41,-0.0 5,-0.2 -0.305 360.0-100.7 -82.9 170.3 -0.7 17.6 -7.5 3 3 A L H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.860 120.0 50.6 -58.5 -44.5 -1.6 14.3 -6.0 4 4 A E H > S+ 0 0 139 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 110.9 48.6 -63.6 -40.8 1.7 13.8 -4.2 5 5 A D H > S+ 0 0 86 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.870 110.9 50.8 -67.0 -37.5 1.6 17.2 -2.6 6 6 A N H X S+ 0 0 10 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.865 107.8 53.3 -67.5 -36.2 -2.0 16.7 -1.5 7 7 A M H X S+ 0 0 57 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.876 108.3 50.5 -64.3 -39.8 -1.0 13.4 0.1 8 8 A E H X S+ 0 0 103 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.916 108.7 52.3 -63.8 -40.9 1.8 15.1 2.1 9 9 A T H X S+ 0 0 47 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.877 108.6 49.7 -61.7 -40.4 -0.7 17.7 3.2 10 10 A L H X S+ 0 0 18 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.915 113.4 47.0 -62.9 -42.4 -3.0 15.0 4.5 11 11 A N H X S+ 0 0 88 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.912 109.5 53.6 -64.6 -44.4 -0.1 13.3 6.3 12 12 A D H X S+ 0 0 87 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.900 113.1 42.7 -57.1 -48.5 1.1 16.7 7.8 13 13 A N H X S+ 0 0 17 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.809 106.4 60.0 -73.1 -32.7 -2.4 17.4 9.3 14 14 A L H X S+ 0 0 14 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.923 108.5 46.7 -60.8 -40.8 -3.0 13.9 10.6 15 15 A K H X S+ 0 0 113 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.908 109.3 53.8 -68.4 -39.3 0.1 14.2 12.8 16 16 A V H X S+ 0 0 55 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.912 108.9 49.8 -59.2 -44.8 -1.0 17.7 13.9 17 17 A I H >< S+ 0 0 1 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.921 107.4 54.7 -61.7 -41.4 -4.4 16.2 15.1 18 18 A E H 3< S+ 0 0 72 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.853 117.7 33.9 -61.0 -39.3 -2.6 13.4 16.9 19 19 A K H 3< S+ 0 0 145 -4,-1.8 -1,-0.2 -3,-0.0 -2,-0.2 0.324 90.7 134.2 -97.1 0.7 -0.5 15.8 19.0 20 20 A A << - 0 0 15 -4,-0.9 -3,-0.1 -3,-0.7 3,-0.1 -0.228 38.8-166.3 -60.6 144.7 -3.0 18.7 19.3 21 21 A D + 0 0 128 1,-0.0 2,-0.3 63,-0.0 -1,-0.1 0.554 67.3 23.2-104.5 -18.1 -3.8 20.4 22.6 22 22 A N S > S- 0 0 66 62,-0.1 4,-1.4 1,-0.1 5,-0.1 -0.876 79.2-100.0-146.9 177.6 -7.0 22.3 21.7 23 23 A A H > S+ 0 0 25 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.843 114.0 58.1 -69.4 -38.1 -10.1 22.4 19.5 24 24 A A H > S+ 0 0 50 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.901 106.4 49.3 -59.5 -43.2 -8.7 25.1 17.1 25 25 A Q H > S+ 0 0 67 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.894 115.4 43.6 -61.0 -43.0 -5.7 23.0 16.2 26 26 A V H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 5,-0.3 0.932 115.5 47.6 -70.7 -45.9 -7.9 20.0 15.5 27 27 A K H X S+ 0 0 62 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.935 113.7 47.3 -58.2 -47.0 -10.5 22.0 13.6 28 28 A D H X S+ 0 0 87 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.926 113.0 49.2 -63.3 -43.0 -7.9 23.8 11.4 29 29 A A H X S+ 0 0 1 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.927 112.3 46.6 -64.1 -47.6 -6.1 20.5 10.7 30 30 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.880 110.4 55.6 -61.9 -37.1 -9.3 18.7 9.6 31 31 A T H X S+ 0 0 75 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.926 109.3 45.2 -61.6 -43.3 -10.2 21.7 7.5 32 32 A K H X S+ 0 0 117 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.878 111.1 53.7 -71.6 -37.1 -7.0 21.6 5.6 33 33 A M H X S+ 0 0 5 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.884 107.1 52.3 -61.6 -43.5 -7.3 17.8 5.2 34 34 A R H X S+ 0 0 87 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.944 110.6 46.6 -58.7 -46.8 -10.8 18.2 3.7 35 35 A A H X S+ 0 0 65 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.912 113.4 48.8 -64.6 -41.5 -9.6 20.8 1.1 36 36 A A H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.860 109.6 52.6 -65.5 -38.4 -6.6 18.6 0.1 37 37 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.906 110.6 47.6 -64.9 -40.8 -8.8 15.5 -0.2 38 38 A L H < S+ 0 0 71 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.851 112.6 49.1 -68.8 -34.2 -11.1 17.4 -2.6 39 39 A D H >< S+ 0 0 42 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.848 111.8 49.3 -70.7 -39.1 -8.1 18.6 -4.6 40 40 A A H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.836 97.0 70.8 -69.0 -33.7 -6.7 15.1 -4.8 41 41 A Q T 3< S+ 0 0 37 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.710 92.9 56.8 -56.4 -27.2 -10.1 13.7 -6.0 42 42 A K T < S+ 0 0 147 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.527 92.7 95.1 -83.6 -8.4 -9.7 15.4 -9.4 43 43 A A S < S- 0 0 23 -3,-1.9 -41,-0.0 -4,-0.2 -3,-0.0 -0.376 71.1-130.8 -83.7 164.1 -6.3 13.7 -10.1 44 44 A T - 0 0 73 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.977 27.7-135.3-112.0 115.4 -5.5 10.5 -12.0 45 45 A P > - 0 0 3 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.448 21.1-112.6 -71.9 149.0 -3.2 8.2 -9.9 46 46 A P G > S+ 0 0 91 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.856 114.8 57.5 -45.1 -49.7 -0.3 6.6 -11.7 47 47 A K G 3 S+ 0 0 114 58,-0.5 3,-0.2 1,-0.3 59,-0.1 0.630 110.8 43.0 -60.9 -19.1 -1.7 3.1 -11.4 48 48 A L G X S+ 0 0 10 -3,-2.3 3,-1.8 1,-0.1 -1,-0.3 0.207 77.2 111.3-113.0 16.4 -4.9 4.1 -13.3 49 49 A E T < S+ 0 0 125 -3,-1.9 -1,-0.1 1,-0.3 -2,-0.1 0.663 79.2 49.4 -62.1 -22.9 -3.3 6.2 -16.1 50 50 A D T 3 S+ 0 0 161 -4,-0.2 -1,-0.3 -3,-0.2 2,-0.3 0.221 96.6 86.1 -99.3 8.9 -4.3 3.7 -18.7 51 51 A K S < S- 0 0 97 -3,-1.8 -3,-0.0 1,-0.1 0, 0.0 -0.724 90.9 -95.3-102.8 161.6 -7.9 3.3 -17.7 52 52 A S > - 0 0 60 -2,-0.3 3,-1.9 1,-0.1 6,-0.4 -0.434 31.0-119.2 -75.7 152.1 -10.7 5.6 -18.9 53 53 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.724 114.6 46.4 -59.3 -24.7 -11.5 8.6 -16.6 54 54 A D T 3 S+ 0 0 109 4,-0.1 -2,-0.0 5,-0.0 0, 0.0 0.149 85.2 126.0-107.4 16.3 -15.0 7.3 -16.2 55 55 A S S <> S- 0 0 9 -3,-1.9 4,-2.7 1,-0.1 5,-0.2 -0.296 76.9-107.9 -70.5 159.1 -14.1 3.6 -15.5 56 56 A P H > S+ 0 0 99 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.856 121.5 54.0 -53.1 -37.6 -15.4 1.8 -12.5 57 57 A E H > S+ 0 0 75 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.925 109.0 46.0 -65.7 -46.8 -11.9 1.9 -11.0 58 58 A M H > S+ 0 0 3 -6,-0.4 4,-2.5 1,-0.2 5,-0.2 0.885 112.7 51.4 -64.2 -39.7 -11.6 5.7 -11.5 59 59 A K H X S+ 0 0 120 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.904 110.8 48.5 -61.9 -41.0 -15.1 6.1 -9.9 60 60 A D H X S+ 0 0 41 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.891 108.9 53.0 -66.2 -42.5 -14.0 4.0 -7.0 61 61 A F H X S+ 0 0 13 -4,-2.5 4,-0.9 1,-0.2 3,-0.4 0.948 111.9 45.8 -57.2 -47.6 -10.8 6.1 -6.6 62 62 A R H >X S+ 0 0 73 -4,-2.5 4,-1.3 1,-0.2 3,-0.9 0.903 108.4 56.9 -63.6 -38.9 -12.9 9.2 -6.4 63 63 A H H 3X S+ 0 0 86 -4,-2.1 4,-2.3 1,-0.3 -1,-0.2 0.841 95.1 65.8 -63.0 -33.8 -15.4 7.5 -4.0 64 64 A G H 3X S+ 0 0 6 -4,-1.8 4,-2.2 -3,-0.4 -1,-0.3 0.862 102.6 48.0 -57.8 -39.6 -12.4 6.9 -1.6 65 65 A F H <>S+ 0 0 34 -4,-1.7 5,-2.5 1,-0.2 3,-0.8 0.887 112.5 50.9 -63.4 -45.3 -17.2 16.6 17.4 79 79 A A H ><5S+ 0 0 1 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.858 108.5 52.4 -62.4 -37.0 -14.3 19.1 17.6 80 80 A N H 3<5S+ 0 0 113 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.668 105.5 55.7 -72.3 -19.6 -16.8 22.0 17.0 81 81 A E T <<5S- 0 0 97 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.225 123.6-105.0 -93.8 8.5 -18.9 20.7 19.9 82 82 A G T < 5S+ 0 0 55 -3,-1.4 2,-1.5 1,-0.1 3,-0.2 0.505 83.6 130.3 78.6 9.8 -15.9 20.9 22.2 83 83 A K >< + 0 0 93 -5,-2.5 4,-2.4 1,-0.2 5,-0.2 -0.533 24.4 158.0 -93.0 70.8 -15.4 17.0 22.2 84 84 A V H > + 0 0 26 -2,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.924 67.7 45.4 -62.8 -53.0 -11.7 17.3 21.4 85 85 A K H > S+ 0 0 161 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.858 113.6 51.6 -61.5 -36.0 -10.5 13.9 22.6 86 86 A E H > S+ 0 0 102 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.913 109.0 50.9 -68.0 -43.2 -13.4 12.2 20.8 87 87 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.883 109.4 50.5 -60.1 -42.5 -12.5 14.1 17.6 88 88 A Q H X S+ 0 0 38 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.911 112.7 46.3 -62.7 -41.2 -8.9 12.9 17.9 89 89 A A H >< S+ 0 0 64 -4,-2.1 3,-1.0 1,-0.2 4,-0.4 0.910 112.0 51.3 -67.9 -41.6 -10.0 9.3 18.4 90 90 A A H >< S+ 0 0 24 -4,-2.8 3,-1.6 1,-0.3 4,-0.3 0.831 101.3 62.2 -61.8 -36.9 -12.5 9.6 15.5 91 91 A A H >< S+ 0 0 3 -4,-2.2 3,-1.6 1,-0.3 4,-0.4 0.789 88.7 70.7 -62.0 -26.2 -9.7 10.9 13.3 92 92 A E T XX S+ 0 0 88 -3,-1.0 3,-1.6 -4,-0.7 4,-0.5 0.791 84.5 69.5 -62.1 -26.2 -7.9 7.6 13.7 93 93 A Q H X> S+ 0 0 112 -3,-1.6 4,-1.3 -4,-0.4 3,-0.9 0.751 82.8 72.2 -62.8 -23.9 -10.6 6.0 11.5 94 94 A L H <> S+ 0 0 5 -3,-1.6 4,-2.4 -4,-0.3 -1,-0.3 0.780 88.6 62.7 -60.5 -28.0 -9.1 8.0 8.6 95 95 A K H <> S+ 0 0 48 -3,-1.6 4,-3.0 -4,-0.4 -1,-0.3 0.846 97.6 55.0 -67.5 -32.4 -6.1 5.5 8.7 96 96 A T H - 0 0 104 1,-0.1 4,-2.5 41,-0.0 5,-0.2 -0.188 360.0-113.3 -60.2 156.3 11.0 -14.6 -3.9 110 3 B L H > S+ 0 0 37 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.908 119.3 51.1 -58.8 -47.1 8.9 -12.2 -1.8 111 4 B E H > S+ 0 0 155 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.866 108.5 50.6 -61.9 -36.6 6.7 -11.5 -4.8 112 5 B D H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 109.9 50.4 -68.3 -43.5 6.1 -15.2 -5.5 113 6 B N H X S+ 0 0 10 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.847 108.2 53.6 -62.0 -34.7 5.1 -15.8 -1.8 114 7 B M H X S+ 0 0 54 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.884 106.3 52.1 -67.9 -38.7 2.7 -12.8 -2.1 115 8 B E H X S+ 0 0 118 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.930 109.8 50.0 -60.6 -47.2 1.1 -14.5 -5.2 116 9 B T H X S+ 0 0 46 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.895 110.9 48.6 -60.1 -42.4 0.6 -17.7 -3.2 117 10 B L H X S+ 0 0 17 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.948 113.6 47.4 -60.0 -46.5 -1.0 -15.7 -0.3 118 11 B N H X S+ 0 0 71 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.938 112.2 47.7 -60.8 -49.6 -3.3 -13.9 -2.7 119 12 B D H X S+ 0 0 77 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.892 113.3 47.5 -60.7 -45.9 -4.4 -17.0 -4.6 120 13 B N H X S+ 0 0 18 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.798 105.9 57.8 -70.9 -28.6 -5.1 -19.0 -1.4 121 14 B L H X S+ 0 0 13 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.919 106.6 50.3 -64.9 -39.4 -7.1 -16.2 0.2 122 15 B K H X S+ 0 0 100 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.880 106.5 54.8 -63.5 -37.5 -9.4 -16.3 -2.8 123 16 B V H X S+ 0 0 65 -4,-1.4 4,-1.1 1,-0.2 -1,-0.2 0.917 108.1 49.9 -60.1 -45.6 -9.8 -20.1 -2.5 124 17 B I H >< S+ 0 0 2 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.914 106.6 54.7 -61.2 -45.7 -10.9 -19.6 1.2 125 18 B E H 3< S+ 0 0 80 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.863 117.6 35.3 -56.5 -40.1 -13.5 -16.9 0.2 126 19 B K H 3< S+ 0 0 129 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.485 90.8 133.1 -93.2 -5.4 -15.2 -19.2 -2.3 127 20 B A << - 0 0 14 -4,-1.1 3,-0.1 -3,-0.7 -3,-0.1 -0.134 38.1-168.4 -57.0 144.0 -14.7 -22.5 -0.4 128 21 B D + 0 0 135 1,-0.1 2,-0.3 63,-0.0 -1,-0.1 0.764 67.4 24.3 -96.1 -40.9 -17.5 -25.0 0.1 129 22 B N S > S- 0 0 73 62,-0.1 4,-1.7 1,-0.1 3,-0.2 -0.789 76.4-105.1-132.9 175.0 -15.9 -27.3 2.7 130 23 B A H > S+ 0 0 21 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.818 113.0 60.3 -65.3 -36.1 -13.3 -27.7 5.4 131 24 B A H > S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 107.4 46.8 -61.4 -40.7 -10.9 -29.7 3.3 132 25 B Q H > S+ 0 0 69 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 114.7 45.8 -64.9 -46.5 -10.6 -26.8 0.9 133 26 B V H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.917 112.5 49.6 -64.1 -47.7 -10.2 -24.2 3.7 134 27 B K H X S+ 0 0 67 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.904 112.5 48.6 -59.1 -44.7 -7.6 -26.3 5.6 135 28 B D H X S+ 0 0 81 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.962 113.5 45.5 -61.3 -53.6 -5.5 -26.8 2.5 136 29 B A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.913 112.9 50.5 -58.7 -45.9 -5.5 -23.2 1.4 137 30 B L H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.860 110.5 49.3 -61.7 -39.6 -4.7 -21.9 5.0 138 31 B T H X S+ 0 0 71 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.857 109.7 50.7 -71.5 -34.0 -1.8 -24.3 5.3 139 32 B K H X S+ 0 0 102 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.890 111.0 50.2 -68.3 -41.2 -0.4 -23.3 1.9 140 33 B M H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.882 106.5 55.9 -64.1 -37.9 -0.7 -19.6 3.1 141 34 B R H X S+ 0 0 76 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.920 108.0 47.7 -61.5 -43.0 1.1 -20.6 6.3 142 35 B A H X S+ 0 0 60 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.912 112.0 49.0 -65.5 -42.6 4.1 -21.9 4.3 143 36 B A H X S+ 0 0 5 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.858 109.7 53.0 -66.6 -35.8 4.3 -18.8 2.1 144 37 B A H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.889 110.0 47.0 -65.2 -41.4 4.1 -16.5 5.2 145 38 B L H < S+ 0 0 80 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.843 114.1 47.8 -68.4 -35.3 7.1 -18.3 6.8 146 39 B D H >< S+ 0 0 35 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.913 108.8 53.2 -73.1 -41.7 9.1 -18.2 3.5 147 40 B A H >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.799 95.8 70.8 -61.8 -31.7 8.3 -14.5 3.0 148 41 B Q T 3< S+ 0 0 40 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.695 92.2 57.3 -60.8 -20.0 9.6 -13.7 6.5 149 42 B K T < S+ 0 0 157 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.550 92.4 93.1 -88.8 -6.2 13.2 -14.4 5.4 150 43 B A S < S- 0 0 24 -3,-2.0 -41,-0.0 -4,-0.2 19,-0.0 -0.252 70.0-131.0 -83.9 172.8 13.1 -11.8 2.6 151 44 B T - 0 0 75 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.991 26.0-134.1-121.1 114.0 14.2 -8.1 2.5 152 45 B P > - 0 0 3 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.430 22.7-113.4 -68.7 149.0 11.5 -5.8 1.0 153 46 B P G > S+ 0 0 88 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.844 114.6 59.8 -49.3 -44.6 12.8 -3.3 -1.5 154 47 B K G 3 S+ 0 0 109 58,-0.5 3,-0.2 1,-0.3 59,-0.1 0.705 110.0 42.6 -57.8 -27.5 12.0 -0.4 0.7 155 48 B L G X S+ 0 0 11 -3,-1.8 3,-1.7 1,-0.2 -1,-0.3 0.194 74.8 114.8-106.6 12.0 14.3 -1.7 3.5 156 49 B E T < S+ 0 0 147 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.749 77.4 53.2 -54.5 -27.8 17.3 -2.7 1.3 157 50 B D T 3 S+ 0 0 121 -3,-0.2 -1,-0.3 -4,-0.2 2,-0.1 0.551 93.0 90.5 -84.7 -13.7 19.5 -0.1 2.9 158 51 B K S < S- 0 0 67 -3,-1.7 -3,-0.0 1,-0.1 0, 0.0 -0.484 85.0-100.4 -85.7 157.0 18.8 -1.2 6.5 159 52 B S > - 0 0 57 -2,-0.1 3,-2.0 1,-0.1 6,-0.4 -0.429 34.5-114.7 -72.1 153.0 20.8 -3.7 8.6 160 53 B P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.744 116.5 44.9 -59.5 -27.0 19.2 -7.2 8.8 161 54 B D T 3 S+ 0 0 109 4,-0.1 -2,-0.0 5,-0.0 -3,-0.0 0.112 86.1 128.5-104.0 16.3 18.7 -6.7 12.6 162 55 B S S <> S- 0 0 9 -3,-2.0 4,-2.6 1,-0.1 5,-0.2 -0.303 74.4-108.9 -71.0 162.1 17.3 -3.2 12.4 163 56 B P H > S+ 0 0 100 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.859 120.0 53.6 -56.0 -41.1 14.0 -2.2 14.2 164 57 B E H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.923 109.1 46.2 -63.5 -48.6 12.4 -1.9 10.7 165 58 B M H > S+ 0 0 3 -6,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.883 112.3 51.7 -62.8 -40.4 13.4 -5.4 9.5 166 59 B K H X S+ 0 0 121 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.902 110.3 49.0 -64.8 -38.1 12.3 -6.8 12.9 167 60 B D H X S+ 0 0 45 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.885 108.6 53.6 -67.3 -38.6 8.9 -5.1 12.4 168 61 B F H X S+ 0 0 13 -4,-2.3 4,-0.7 1,-0.2 3,-0.4 0.940 111.8 45.0 -60.0 -48.3 8.6 -6.4 8.9 169 62 B R H >X S+ 0 0 70 -4,-2.4 4,-1.2 1,-0.2 3,-1.0 0.882 106.5 59.7 -63.4 -40.6 9.2 -10.0 10.2 170 63 B H H 3X S+ 0 0 89 -4,-2.4 4,-2.4 1,-0.3 -1,-0.2 0.829 93.8 65.9 -56.6 -34.1 6.7 -9.4 13.0 171 64 B G H 3X S+ 0 0 5 -4,-1.5 4,-2.2 -3,-0.4 -1,-0.3 0.897 102.2 48.2 -56.4 -38.6 4.0 -8.7 10.4 172 65 B F H <>S+ 0 0 45 -4,-1.4 5,-2.0 1,-0.2 3,-1.3 0.933 111.3 50.9 -65.6 -49.4 -11.9 -23.7 13.3 186 79 B A H ><5S+ 0 0 2 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.857 105.5 57.4 -56.7 -42.4 -11.5 -25.5 10.0 187 80 B N H 3<5S+ 0 0 106 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.683 103.7 53.3 -62.4 -21.7 -10.3 -28.6 11.8 188 81 B E T <<5S- 0 0 110 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.399 121.1-111.3 -90.5 -0.3 -13.5 -28.6 13.9 189 82 B G T < 5S+ 0 0 48 -3,-1.6 2,-1.6 -4,-0.3 -3,-0.2 0.505 75.3 138.7 81.1 9.1 -15.5 -28.6 10.6 190 83 B K >< + 0 0 91 -5,-2.0 4,-2.1 1,-0.2 -1,-0.2 -0.609 19.8 166.6 -87.1 77.4 -16.6 -25.0 11.3 191 84 B V H > + 0 0 26 -2,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.903 69.5 50.5 -58.3 -51.1 -16.2 -23.6 7.8 192 85 B K H > S+ 0 0 156 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 112.2 47.4 -57.5 -47.2 -18.2 -20.4 8.2 193 86 B E H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.883 111.1 52.0 -63.1 -38.5 -16.3 -19.4 11.3 194 87 B A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.872 108.8 50.5 -65.1 -41.9 -12.9 -20.3 9.6 195 88 B Q H X S+ 0 0 39 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.881 109.7 50.4 -62.9 -41.4 -13.8 -18.0 6.6 196 89 B A H X S+ 0 0 54 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.894 110.3 49.7 -64.5 -41.9 -14.7 -15.1 9.0 197 90 B A H >< S+ 0 0 15 -4,-2.1 3,-0.8 1,-0.2 4,-0.3 0.862 108.0 54.5 -63.3 -36.1 -11.4 -15.5 10.8 198 91 B A H >< S+ 0 0 0 -4,-1.9 3,-1.8 1,-0.2 4,-0.4 0.823 95.0 67.5 -70.3 -29.9 -9.6 -15.5 7.4 199 92 B E H >< S+ 0 0 86 -4,-1.4 3,-1.6 1,-0.3 4,-0.5 0.832 89.6 66.1 -60.2 -28.1 -11.2 -12.2 6.5 200 93 B Q T XX S+ 0 0 109 -3,-0.8 4,-1.4 -4,-0.7 3,-0.5 0.685 83.3 74.8 -66.6 -18.8 -9.1 -10.6 9.3 201 94 B L H <> S+ 0 0 4 -3,-1.8 4,-2.3 -4,-0.3 -1,-0.3 0.808 87.6 61.3 -61.6 -31.2 -6.0 -11.4 7.3 202 95 B K H <> S+ 0 0 38 -3,-1.6 4,-2.9 -4,-0.4 -1,-0.2 0.811 98.7 54.3 -66.9 -34.8 -6.9 -8.5 4.9 203 96 B T H <> S+ 0 0 100 -3,-0.5 4,-2.4 -4,-0.5 -1,-0.2 0.938 111.0 46.1 -64.0 -43.7 -6.6 -6.0 7.8 204 97 B T H X S+ 0 0 13 -4,-1.4 4,-2.5 2,-0.2 5,-0.3 0.926 112.5 51.4 -60.8 -48.3 -3.1 -7.3 8.5 205 98 B R H X S+ 0 0 68 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.946 110.9 47.8 -53.5 -51.0 -2.3 -7.1 4.8 206 99 B N H X S+ 0 0 28 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.874 113.0 48.2 -62.2 -40.2 -3.5 -3.5 4.5 207 100 B A H X S+ 0 0 32 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.880 116.1 41.1 -66.3 -46.1 -1.6 -2.4 7.5 208 101 B Y H X S+ 0 0 40 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.780 112.8 53.7 -76.9 -30.6 1.8 -4.0 6.5 209 102 B H H X S+ 0 0 41 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.860 104.6 56.7 -67.9 -40.2 1.4 -3.0 2.9 210 103 B Q H < S+ 0 0 38 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.901 115.7 37.8 -57.0 -42.2 0.9 0.6 4.0 211 104 B K H < S+ 0 0 95 -4,-1.2 -2,-0.2 1,-0.1 -1,-0.2 0.869 135.0 11.9 -78.5 -40.3 4.3 0.4 5.8 212 105 B Y H < 0 0 30 -4,-2.6 -58,-0.5 -5,-0.1 -3,-0.2 0.539 360.0 360.0-122.3 -4.1 6.4 -1.7 3.4 213 106 B R < 0 0 118 -4,-2.2 -4,-0.0 -5,-0.2 0, 0.0 -0.695 360.0 360.0 -84.0 360.0 4.9 -2.1 -0.0