==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 04-MAR-10 3M15 . COMPND 2 MOLECULE: SOLUBLE CYTOCHROME B562; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.A.TEZCAN,T.W.NI . 318 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 81.1 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 . 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 3 3 0 0 0 0 2 1 3 0 0 0 0 0 0 3 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 88 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 163.2 9.6 8.3 33.2 2 2 A D > - 0 0 90 1,-0.1 4,-2.1 41,-0.0 5,-0.1 -0.473 360.0-124.8 -62.2 143.1 11.3 11.2 31.4 3 3 A L H > S+ 0 0 27 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.935 112.7 54.8 -52.1 -48.5 13.4 10.0 28.4 4 4 A E H > S+ 0 0 105 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.874 108.8 45.0 -58.2 -42.1 16.4 11.7 29.9 5 5 A D H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.856 109.2 58.5 -67.9 -35.1 16.0 9.8 33.3 6 6 A N H X S+ 0 0 11 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.833 107.6 45.8 -60.7 -34.7 15.5 6.6 31.3 7 7 A M H X S+ 0 0 47 -4,-1.7 4,-3.2 2,-0.2 -1,-0.2 0.785 107.1 56.5 -78.8 -33.3 18.9 7.1 29.6 8 8 A E H X S+ 0 0 108 -4,-1.4 4,-3.7 2,-0.2 5,-0.3 0.935 108.1 50.0 -64.8 -41.5 20.7 7.9 32.8 9 9 A T H X S+ 0 0 50 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.853 111.7 47.7 -61.6 -39.8 19.4 4.5 34.1 10 10 A L H X S+ 0 0 13 -4,-1.2 4,-1.4 2,-0.2 -2,-0.2 0.932 116.8 42.9 -64.0 -47.9 20.7 2.9 31.0 11 11 A N H X S+ 0 0 73 -4,-3.2 4,-1.7 2,-0.2 3,-0.2 0.952 115.1 48.2 -65.9 -52.2 24.1 4.6 31.3 12 12 A D H X S+ 0 0 84 -4,-3.7 4,-2.0 1,-0.2 -1,-0.2 0.929 113.6 46.1 -53.8 -48.9 24.5 4.1 35.1 13 13 A N H X S+ 0 0 21 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.760 105.5 58.3 -76.3 -23.2 23.6 0.4 35.0 14 14 A L H X S+ 0 0 15 -4,-1.4 4,-2.4 -3,-0.2 -1,-0.2 0.922 109.0 47.1 -65.6 -44.5 25.8 -0.5 32.1 15 15 A K H X S+ 0 0 94 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.901 107.7 55.2 -61.7 -42.7 28.7 0.9 34.1 16 16 A V H < S+ 0 0 69 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.885 109.7 49.0 -56.1 -37.9 27.5 -1.1 37.1 17 17 A I H >< S+ 0 0 2 -4,-1.6 3,-1.0 2,-0.2 -2,-0.2 0.919 107.7 51.7 -69.4 -47.0 27.7 -4.2 34.8 18 18 A E H 3< S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.778 119.5 37.9 -58.4 -28.7 31.2 -3.4 33.6 19 19 A K T 3< S+ 0 0 152 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.384 88.5 130.2-105.9 1.4 32.4 -3.1 37.2 20 20 A A < - 0 0 13 -3,-1.0 -3,-0.1 -4,-0.4 3,-0.1 -0.171 46.3-154.4 -61.9 151.3 30.3 -6.0 38.7 21 21 A D S S+ 0 0 145 1,-0.1 2,-0.2 63,-0.0 -1,-0.1 0.665 72.3 3.0 -93.7 -24.0 31.8 -8.7 41.0 22 22 A N S > S- 0 0 63 62,-0.1 4,-1.0 1,-0.0 3,-0.3 -0.847 81.1 -88.5-153.7 178.8 29.3 -11.5 40.4 23 23 A A H > S+ 0 0 18 -2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.869 113.9 63.6 -68.6 -45.2 26.2 -12.6 38.4 24 24 A A H > S+ 0 0 59 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.792 105.6 47.0 -47.0 -37.2 23.6 -11.3 41.0 25 25 A Q H > S+ 0 0 73 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.854 112.4 47.2 -81.2 -38.6 24.8 -7.7 40.4 26 26 A V H X S+ 0 0 0 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.926 111.7 51.4 -64.9 -47.2 24.8 -7.9 36.6 27 27 A K H X S+ 0 0 70 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.863 110.5 49.7 -60.4 -37.8 21.3 -9.5 36.6 28 28 A D H X S+ 0 0 81 -4,-1.2 4,-1.6 -5,-0.3 -1,-0.2 0.877 111.0 47.7 -70.6 -35.2 20.1 -6.7 38.8 29 29 A A H X S+ 0 0 1 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.877 110.8 53.5 -72.5 -30.2 21.6 -4.0 36.5 30 30 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.923 105.4 52.4 -69.9 -43.6 20.0 -5.8 33.5 31 31 A T H X S+ 0 0 42 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.895 110.1 49.2 -52.0 -49.6 16.5 -5.8 35.1 32 32 A K H X S+ 0 0 100 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.885 110.4 50.4 -63.5 -43.5 16.7 -2.1 35.7 33 33 A M H X S+ 0 0 3 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.887 109.2 52.2 -57.1 -43.9 17.9 -1.5 32.1 34 34 A A H X S+ 0 0 30 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.946 109.2 49.6 -59.6 -50.0 14.9 -3.6 30.9 35 35 A A H X S+ 0 0 66 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.932 114.0 45.4 -51.8 -51.5 12.5 -1.5 32.9 36 36 A A H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.911 114.1 47.2 -64.1 -44.3 14.0 1.8 31.5 37 37 A A H X S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.871 110.6 52.9 -68.3 -35.2 14.1 0.6 27.9 38 38 A A H < S+ 0 0 17 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.885 112.3 45.6 -62.2 -42.7 10.5 -0.7 28.1 39 39 A D H >< S+ 0 0 63 -4,-2.0 3,-0.8 -5,-0.2 -2,-0.2 0.860 108.0 56.2 -69.6 -36.0 9.4 2.7 29.4 40 40 A A H >< S+ 0 0 0 -4,-2.1 3,-2.9 1,-0.2 -1,-0.2 0.773 83.7 87.8 -69.6 -24.6 11.4 4.7 26.8 41 41 A W T 3< S+ 0 0 11 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.799 91.3 42.8 -41.9 -44.4 9.7 2.8 24.0 42 42 A S T < S+ 0 0 87 -3,-0.8 -1,-0.3 -4,-0.3 2,-0.2 0.210 90.9 117.7 -92.7 10.4 6.7 5.3 23.8 43 43 A A < - 0 0 22 -3,-2.9 -41,-0.0 19,-0.0 -3,-0.0 -0.492 57.4-141.4 -83.9 148.9 8.8 8.4 24.2 44 44 A T - 0 0 71 -2,-0.2 -41,-0.1 17,-0.0 5,-0.1 -0.961 23.3-140.2-103.5 116.1 9.0 11.2 21.7 45 45 A P > - 0 0 5 0, 0.0 3,-1.8 0, 0.0 61,-0.1 -0.327 21.7-112.1 -66.0 154.9 12.6 12.6 21.6 46 46 A P G > S+ 0 0 85 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.930 116.7 57.9 -52.4 -45.3 13.3 16.3 21.2 47 47 A K G 3 S+ 0 0 125 58,-0.5 59,-0.1 1,-0.3 3,-0.1 0.497 110.6 43.5 -68.0 -4.3 14.7 15.8 17.7 48 48 A L G X S+ 0 0 9 -3,-1.8 3,-1.1 1,-0.1 -1,-0.3 0.052 74.2 111.4-130.4 28.2 11.5 14.2 16.6 49 49 A E T < S+ 0 0 137 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.796 80.5 52.2 -69.3 -31.2 8.8 16.5 18.1 50 50 A D T 3 S+ 0 0 141 -4,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.186 95.8 98.6 -87.4 16.6 7.8 17.8 14.6 51 51 A K S < S- 0 0 86 -3,-1.1 -3,-0.1 4,-0.0 4,-0.0 -0.908 78.8-117.2-111.3 131.3 7.4 14.2 13.5 52 52 A S > - 0 0 58 -2,-0.4 3,-1.6 1,-0.1 6,-0.4 -0.260 25.4-121.1 -56.5 142.0 4.1 12.3 13.3 53 53 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.883 112.8 47.1 -57.1 -35.9 3.9 9.2 15.7 54 54 A D T 3 S+ 0 0 85 4,-0.1 -2,-0.1 3,-0.0 84,-0.1 0.191 91.1 117.5 -90.7 18.9 3.3 6.8 12.8 55 55 A S S X> S- 0 0 14 -3,-1.6 4,-2.4 1,-0.1 3,-0.8 -0.510 80.8-107.7 -90.8 155.6 6.1 8.3 10.7 56 56 A P H 3> S+ 0 0 93 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.869 118.5 54.6 -48.0 -42.9 9.2 6.4 9.6 57 57 A E H 3> S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.883 113.2 40.4 -60.1 -43.0 11.4 8.3 12.0 58 58 A M H <> S+ 0 0 6 -3,-0.8 4,-2.4 -6,-0.4 -1,-0.2 0.774 113.1 56.1 -78.2 -28.0 9.2 7.4 15.0 59 59 A H H X S+ 0 0 26 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.934 113.3 39.0 -65.2 -48.7 8.8 3.9 13.7 60 60 A D H X S+ 0 0 15 -4,-3.0 4,-1.6 -5,-0.2 -2,-0.2 0.852 113.1 58.6 -72.1 -36.6 12.6 3.4 13.6 61 61 A F H >X S+ 0 0 6 -4,-2.3 4,-0.8 -5,-0.3 3,-0.6 0.964 108.6 43.8 -51.6 -57.3 12.9 5.2 16.8 62 62 A R H >X S+ 0 0 32 -4,-2.4 4,-1.7 1,-0.2 3,-1.4 0.913 107.4 59.8 -56.4 -43.2 10.6 2.8 18.6 63 63 A H H 3X S+ 0 0 4 -4,-1.9 4,-2.4 1,-0.3 -1,-0.2 0.819 93.6 66.6 -59.7 -31.8 12.3 -0.2 17.0 64 64 A G H S+ 0 0 32 -4,-1.8 5,-2.3 1,-0.2 -2,-0.2 0.920 113.6 47.8 -45.9 -48.5 23.3 -15.4 30.6 79 79 A A H ><5S+ 0 0 1 -4,-2.5 3,-2.9 3,-0.2 -2,-0.2 0.963 109.4 50.5 -61.2 -51.4 23.3 -13.7 34.0 80 80 A N H 3<5S+ 0 0 86 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.927 106.8 56.2 -51.7 -45.3 20.5 -15.9 35.4 81 81 A E T 3<5S- 0 0 107 -4,-3.2 -1,-0.3 -5,-0.1 -2,-0.2 0.331 122.2-113.5 -69.3 7.4 22.5 -18.9 34.2 82 82 A G T < 5S+ 0 0 40 -3,-2.9 2,-2.1 -5,-0.2 -3,-0.2 0.453 70.3 142.8 76.4 3.4 25.4 -17.4 36.4 83 83 A K >< + 0 0 68 -5,-2.3 4,-2.4 -6,-0.2 5,-0.3 -0.466 17.5 168.3 -80.3 74.1 27.6 -16.7 33.3 84 84 A V H > S+ 0 0 37 -2,-2.1 4,-2.4 1,-0.2 5,-0.2 0.927 70.1 50.6 -52.7 -54.2 29.1 -13.4 34.5 85 85 A K H > S+ 0 0 177 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.881 115.4 40.5 -60.0 -40.9 31.8 -13.1 31.9 86 86 A E H > S+ 0 0 104 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.859 111.7 55.9 -79.7 -32.9 29.5 -13.6 28.9 87 87 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.895 107.7 50.7 -51.7 -48.5 26.6 -11.5 30.3 88 88 A Q H X S+ 0 0 40 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.873 111.0 49.6 -59.6 -38.4 29.2 -8.6 30.6 89 89 A A H X S+ 0 0 42 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.951 109.8 47.6 -67.4 -52.7 30.1 -9.3 27.0 90 90 A A H >X S+ 0 0 24 -4,-3.2 4,-1.1 1,-0.2 3,-0.8 0.924 111.0 55.6 -49.4 -45.5 26.5 -9.2 25.8 91 91 A A H >< S+ 0 0 1 -4,-2.7 3,-0.6 1,-0.3 -2,-0.2 0.903 105.2 52.1 -56.0 -53.7 26.1 -6.0 27.8 92 92 A E H >< S+ 0 0 87 -4,-2.2 3,-1.0 1,-0.2 -1,-0.3 0.790 106.9 53.0 -37.1 -42.1 29.0 -4.4 26.0 93 93 A Q H X< S+ 0 0 110 -4,-1.2 3,-1.1 -3,-0.8 4,-0.3 0.657 89.8 69.3 -94.0 -16.7 27.6 -5.1 22.7 94 94 A L T S+ 0 0 63 -3,-1.0 4,-2.9 2,-0.2 -1,-0.3 0.784 79.6 66.0 -65.2 -30.7 26.2 -0.4 23.0 96 96 A T H <> S+ 0 0 64 -3,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.878 101.1 49.0 -56.1 -38.5 26.1 -0.7 19.3 97 97 A T H > S+ 0 0 14 -4,-0.3 4,-2.1 -3,-0.2 5,-0.3 0.909 108.0 52.2 -66.9 -46.1 22.3 -0.3 19.6 98 98 A C H X S+ 0 0 29 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.946 114.3 44.6 -53.4 -48.9 22.8 2.8 21.9 99 99 A N H X S+ 0 0 87 -4,-2.9 4,-3.5 2,-0.2 5,-0.3 0.911 108.3 56.8 -63.1 -45.1 25.0 4.3 19.2 100 100 A A H X S+ 0 0 43 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.936 115.7 35.7 -57.2 -50.9 22.7 3.4 16.3 101 101 A C H X S+ 0 0 24 -4,-2.1 4,-2.6 1,-0.2 5,-0.4 0.867 118.0 53.9 -69.9 -36.5 19.7 5.2 17.7 102 102 A H H X S+ 0 0 42 -4,-2.3 4,-1.5 -5,-0.3 -2,-0.2 0.896 103.3 54.7 -61.6 -46.0 22.0 8.0 19.1 103 103 A Q H < S+ 0 0 174 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.806 120.2 34.5 -54.7 -35.7 23.7 8.8 15.8 104 104 A K H < S+ 0 0 61 -4,-0.9 -2,-0.2 -5,-0.3 -1,-0.2 0.849 131.7 15.7 -90.5 -44.7 20.3 9.3 14.3 105 105 A Y H < 0 0 21 -4,-2.6 -58,-0.5 -5,-0.1 -3,-0.2 0.469 360.0 360.0-122.7 -2.7 17.9 10.8 16.7 106 106 A R < 0 0 197 -4,-1.5 -4,-0.0 -5,-0.4 0, 0.0 -0.591 360.0 360.0 -98.3 360.0 19.9 12.2 19.7 107 !* 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 0.0 108 1 B A 0 0 97 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -99.1 -3.5 2.7 29.8 109 2 B D > - 0 0 104 1,-0.1 4,-2.5 41,-0.0 5,-0.2 -0.166 360.0-118.7 -59.5 152.6 -5.0 -0.3 31.7 110 3 B L H > S+ 0 0 35 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.919 118.2 52.2 -58.8 -47.5 -4.3 -3.9 30.7 111 4 B E H > S+ 0 0 158 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 109.6 48.4 -49.4 -52.2 -8.0 -4.3 30.0 112 5 B D H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.902 108.0 55.1 -58.2 -45.5 -8.0 -1.2 27.7 113 6 B N H X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.868 108.4 49.1 -54.8 -41.5 -4.8 -2.5 25.9 114 7 B M H X S+ 0 0 57 -4,-1.8 4,-3.3 2,-0.2 5,-0.2 0.917 108.0 51.8 -70.2 -44.7 -6.6 -5.7 25.1 115 8 B E H X S+ 0 0 95 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.906 111.4 49.5 -53.4 -42.9 -9.7 -4.1 23.8 116 9 B T H X S+ 0 0 37 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.913 112.1 48.2 -64.0 -43.9 -7.4 -2.0 21.5 117 10 B L H X S+ 0 0 14 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.979 115.7 43.4 -55.7 -58.6 -5.6 -5.2 20.4 118 11 B N H X S+ 0 0 90 -4,-3.3 4,-1.9 1,-0.2 3,-0.3 0.903 112.6 51.9 -55.9 -49.2 -8.9 -7.0 19.7 119 12 B D H X S+ 0 0 85 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.867 110.7 46.6 -58.0 -42.7 -10.6 -4.1 17.9 120 13 B N H X S+ 0 0 17 -4,-1.8 4,-2.8 2,-0.3 -1,-0.2 0.747 103.8 60.5 -78.9 -26.5 -7.8 -3.4 15.5 121 14 B L H X S+ 0 0 21 -4,-1.6 4,-2.2 -3,-0.3 -1,-0.2 0.975 109.5 44.9 -61.3 -51.4 -7.4 -7.1 14.6 122 15 B K H X S+ 0 0 112 -4,-1.9 4,-1.8 1,-0.2 -2,-0.3 0.848 111.1 54.8 -53.7 -37.5 -11.1 -6.7 13.4 123 16 B V H X S+ 0 0 52 -4,-1.5 4,-0.6 2,-0.2 -2,-0.2 0.918 107.9 47.7 -66.7 -40.1 -10.1 -3.5 11.7 124 17 B I H >< S+ 0 0 2 -4,-2.8 3,-0.8 2,-0.2 -2,-0.2 0.915 108.7 54.6 -64.7 -44.0 -7.2 -5.2 9.8 125 18 B E H 3< S+ 0 0 127 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.886 115.8 38.4 -54.3 -45.9 -9.6 -8.0 8.7 126 19 B K H 3< S+ 0 0 168 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.494 89.5 149.0 -82.6 -6.2 -12.1 -5.5 7.2 127 20 B A << - 0 0 17 -3,-0.8 -3,-0.1 -4,-0.6 3,-0.1 0.068 37.7-160.8 -47.1 140.4 -9.4 -3.1 5.8 128 21 B D S S- 0 0 106 1,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.835 70.2 -11.7 -78.0 -48.6 -10.0 -1.0 2.7 129 22 B N S > S- 0 0 78 62,-0.1 4,-1.3 1,-0.0 -1,-0.1 -0.797 80.8 -78.8-149.5-177.1 -6.4 -0.2 1.8 130 23 B A H > S+ 0 0 27 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.855 119.8 56.9 -60.7 -39.9 -2.8 -0.3 3.0 131 24 B A H > S+ 0 0 50 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.884 104.6 48.1 -68.1 -44.0 -3.1 2.8 5.2 132 25 B Q H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.857 114.4 49.8 -63.9 -34.2 -6.0 1.5 7.4 133 26 B V H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.919 113.7 44.9 -64.8 -47.0 -4.0 -1.7 7.8 134 27 B K H X S+ 0 0 75 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.841 113.0 50.3 -67.1 -33.3 -0.8 0.3 8.7 135 28 B D H X S+ 0 0 59 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.928 111.7 47.2 -77.5 -41.3 -2.7 2.6 11.1 136 29 B A H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.855 110.7 52.2 -63.9 -38.9 -4.4 -0.3 12.9 137 30 B L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 3,-0.2 0.955 107.1 53.0 -65.7 -43.8 -1.1 -2.2 13.2 138 31 B T H X S+ 0 0 30 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.911 107.7 51.5 -50.7 -46.8 0.6 0.9 14.7 139 32 B K H X S+ 0 0 105 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.863 108.8 52.1 -62.3 -34.3 -2.2 1.2 17.3 140 33 B M H X S+ 0 0 1 -4,-1.6 4,-2.7 -3,-0.2 -2,-0.2 0.925 107.7 49.6 -68.6 -46.8 -1.7 -2.5 18.2 141 34 B A H X S+ 0 0 14 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.861 111.5 49.4 -59.3 -35.6 2.1 -2.1 18.8 142 35 B A H X S+ 0 0 54 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.913 112.9 47.4 -75.9 -38.8 1.6 0.9 21.1 143 36 B A H X S+ 0 0 8 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.889 112.2 48.9 -63.7 -43.3 -1.1 -0.9 23.1 144 37 B A H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 3,-0.3 0.920 112.7 47.4 -67.1 -42.9 1.1 -4.0 23.4 145 38 B A H < S+ 0 0 9 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.773 106.6 58.2 -64.9 -29.8 4.2 -1.9 24.5 146 39 B D H < S+ 0 0 75 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.834 108.4 47.3 -63.8 -30.2 1.8 -0.1 27.0 147 40 B A H >< S+ 0 0 0 -4,-1.2 3,-2.1 -3,-0.3 -2,-0.2 0.694 82.8 99.8 -89.6 -26.3 1.2 -3.6 28.4 148 41 B W T 3< S+ 0 0 11 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.819 98.2 22.5 -5.5 -77.3 4.9 -4.5 28.6 149 42 B S T 3 S+ 0 0 82 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.153 93.5 119.7-106.2 17.3 5.1 -3.7 32.3 150 43 B A < - 0 0 23 -3,-2.1 -3,-0.0 -41,-0.0 -41,-0.0 -0.357 58.9-131.9 -70.6 160.6 1.4 -4.1 33.4 151 44 B T - 0 0 82 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.966 18.1-141.8-124.3 114.5 0.7 -6.8 36.0 152 45 B P > - 0 0 3 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.374 23.5-110.1 -77.8 154.5 -2.2 -9.1 35.3 153 46 B P G > S+ 0 0 86 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.895 115.4 53.9 -47.0 -56.2 -4.6 -10.3 38.0 154 47 B K G 3 S+ 0 0 117 58,-0.5 3,-0.2 1,-0.3 59,-0.1 0.626 112.9 44.2 -58.5 -17.5 -3.3 -14.0 37.9 155 48 B L G X S+ 0 0 9 -3,-1.8 3,-1.5 57,-0.2 -1,-0.3 0.287 77.0 106.0-112.8 10.7 0.3 -12.8 38.5 156 49 B E T < S+ 0 0 147 -3,-2.1 -2,-0.1 -4,-0.4 -1,-0.1 0.764 82.6 52.2 -58.9 -28.1 -0.3 -10.2 41.3 157 50 B D T 3 S+ 0 0 131 -4,-0.3 2,-0.3 -3,-0.2 -1,-0.3 0.647 97.2 93.2 -78.5 -15.2 1.2 -12.7 43.8 158 51 B K S < S- 0 0 88 -3,-1.5 -3,-0.1 1,-0.1 0, 0.0 -0.619 80.4-112.1 -96.2 136.7 4.3 -13.1 41.7 159 52 B S > - 0 0 65 -2,-0.3 3,-2.7 1,-0.1 6,-0.4 -0.292 24.9-123.4 -60.7 140.5 7.7 -11.3 41.8 160 53 B P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.659 115.8 54.6 -60.4 -10.6 8.5 -9.1 38.9 161 54 B D T 3 S+ 0 0 104 4,-0.1 -2,-0.1 5,-0.0 -130,-0.0 0.321 87.0 112.4-105.6 5.3 11.6 -11.2 38.5 162 55 B S S <> S- 0 0 14 -3,-2.7 4,-2.2 1,-0.1 3,-0.3 -0.294 80.5-112.0 -75.7 161.1 9.7 -14.5 38.4 163 56 B P H > S+ 0 0 95 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.721 115.5 60.6 -62.7 -23.7 9.5 -16.8 35.3 164 57 B E H > S+ 0 0 49 2,-0.2 4,-2.1 3,-0.2 -9,-0.0 0.899 108.9 39.6 -73.0 -40.4 5.9 -16.0 35.0 165 58 B M H > S+ 0 0 2 -6,-0.4 4,-2.9 -3,-0.3 5,-0.4 0.897 112.9 55.8 -76.9 -44.2 6.4 -12.3 34.5 166 59 B H H X S+ 0 0 41 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.924 112.4 44.4 -44.0 -46.0 9.4 -13.0 32.3 167 60 B D H X S+ 0 0 53 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.907 112.6 52.4 -72.7 -39.5 7.1 -15.1 30.2 168 61 B F H X S+ 0 0 7 -4,-2.1 4,-0.8 2,-0.2 3,-0.4 0.942 111.5 41.8 -60.4 -58.1 4.4 -12.5 30.3 169 62 B R H X S+ 0 0 82 -4,-2.9 4,-1.2 1,-0.2 3,-0.4 0.843 110.0 60.8 -62.0 -35.0 6.4 -9.4 29.1 170 63 B H H X S+ 0 0 11 -4,-1.6 4,-2.4 -5,-0.4 -1,-0.2 0.863 94.4 62.8 -64.7 -37.2 8.1 -11.6 26.5 171 64 B G H X S+ 0 0 17 -4,-1.5 4,-2.4 -3,-0.4 -1,-0.2 0.893 103.7 47.6 -48.9 -44.8 4.8 -12.3 24.8 172 65 B F H X S+ 0 0 10 -4,-0.8 4,-2.9 -3,-0.4 -1,-0.2 0.814 109.0 54.4 -73.6 -29.7 4.2 -8.7 24.0 173 66 B W H X S+ 0 0 5 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.902 110.5 45.7 -65.0 -45.2 7.8 -8.4 22.6 174 67 B I H X S+ 0 0 13 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.933 114.4 50.8 -61.1 -44.2 7.1 -11.4 20.3 175 68 B L H X S+ 0 0 9 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.921 108.1 48.9 -61.9 -48.9 3.8 -9.7 19.4 176 69 B I H X S+ 0 0 5 -4,-2.9 4,-3.3 1,-0.2 5,-0.2 0.948 110.5 53.0 -60.2 -48.5 5.2 -6.4 18.6 177 70 B G H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.919 108.9 48.7 -46.2 -52.2 7.8 -8.1 16.4 178 71 B Q H X S+ 0 0 26 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.856 112.3 49.7 -59.2 -37.9 5.0 -9.9 14.6 179 72 B I H X S+ 0 0 2 -4,-2.4 4,-3.3 2,-0.2 -2,-0.2 0.923 107.9 52.0 -66.5 -48.3 3.2 -6.6 14.1 180 73 B H H X S+ 0 0 15 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.899 109.2 51.9 -54.0 -41.8 6.3 -4.8 12.8 181 74 B A H X S+ 0 0 28 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.912 110.6 46.8 -62.9 -42.7 6.7 -7.7 10.3 182 75 B A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 3,-0.4 0.947 108.0 57.3 -63.9 -46.8 3.1 -7.2 9.2 183 76 B L H X S+ 0 0 15 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.900 103.9 52.5 -48.0 -47.1 3.7 -3.5 9.0 184 77 B H H X S+ 0 0 29 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.852 106.8 52.8 -62.0 -34.8 6.6 -4.1 6.5 185 78 B L H ><>S+ 0 0 52 -4,-1.4 5,-2.4 -3,-0.4 3,-0.8 0.936 112.2 45.2 -61.8 -45.9 4.3 -6.2 4.3 186 79 B A H ><5S+ 0 0 1 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.897 103.8 63.6 -65.9 -43.3 1.7 -3.3 4.3 187 80 B N H 3<5S+ 0 0 72 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.713 107.0 43.6 -48.5 -28.4 4.4 -0.6 3.6 188 81 B E T <<5S- 0 0 104 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.278 125.4-102.3-108.4 4.2 5.2 -2.2 0.3 189 82 B G T < 5S+ 0 0 49 -3,-2.1 2,-0.8 1,-0.2 -3,-0.2 0.765 77.5 135.2 85.6 28.6 1.5 -2.7 -0.5 190 83 B K >< + 0 0 103 -5,-2.4 4,-2.4 1,-0.2 5,-0.2 -0.685 20.2 160.2-105.0 72.1 1.0 -6.4 0.2 191 84 B V H > + 0 0 33 -2,-0.8 4,-2.8 2,-0.2 5,-0.2 0.908 69.3 52.2 -63.3 -46.9 -2.2 -5.8 2.1 192 85 B K H > S+ 0 0 172 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.912 112.7 46.2 -59.8 -40.6 -3.5 -9.4 1.8 193 86 B E H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.901 111.8 49.7 -70.8 -41.2 -0.2 -10.7 3.1 194 87 B A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.886 110.7 52.2 -58.5 -40.8 -0.2 -8.2 6.0 195 88 B Q H X S+ 0 0 39 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.817 107.9 51.9 -66.9 -30.1 -3.8 -9.2 6.7 196 89 B A H X S+ 0 0 58 -4,-1.5 4,-2.4 2,-0.2 5,-0.3 0.938 107.2 50.6 -72.7 -45.4 -2.7 -12.8 6.8 197 90 B A H X S+ 0 0 32 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.856 106.5 55.8 -60.8 -34.5 0.1 -12.2 9.3 198 91 B A H < S+ 0 0 3 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.892 108.6 49.3 -65.1 -39.5 -2.4 -10.3 11.6 199 92 B E H >< S+ 0 0 103 -4,-1.5 3,-1.9 2,-0.2 -2,-0.2 0.971 113.1 43.8 -52.6 -60.3 -4.6 -13.5 11.5 200 93 B Q H >< S+ 0 0 150 -4,-2.4 3,-1.7 1,-0.3 4,-0.3 0.717 98.5 76.0 -67.4 -16.7 -1.6 -15.9 12.4 201 94 B L T >X S+ 0 0 0 -4,-1.5 3,-1.4 -5,-0.3 4,-1.0 0.747 76.4 77.1 -62.6 -26.4 -0.6 -13.3 15.0 202 95 B K H <> S+ 0 0 79 -3,-1.9 4,-2.4 -4,-0.4 -1,-0.3 0.678 76.6 74.8 -53.2 -24.3 -3.6 -14.6 17.1 203 96 B T H <> S+ 0 0 91 -3,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.846 97.4 47.1 -62.5 -31.8 -1.4 -17.7 18.0 204 97 B T H <> S+ 0 0 23 -3,-1.4 4,-1.7 -4,-0.3 -2,-0.2 0.908 109.4 52.2 -76.5 -45.1 0.6 -15.4 20.4 205 98 B C H >X S+ 0 0 29 -4,-1.0 4,-2.1 2,-0.2 3,-0.6 0.982 114.0 44.1 -43.7 -67.2 -2.6 -13.9 21.9 206 99 B N H 3X S+ 0 0 84 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.878 106.0 60.7 -49.0 -50.4 -3.9 -17.4 22.7 207 100 B A H 3< S+ 0 0 39 -4,-1.9 4,-0.4 -5,-0.2 -1,-0.2 0.905 112.0 39.0 -47.2 -47.4 -0.6 -18.7 24.0 208 101 B C H XX S+ 0 0 27 -4,-1.7 4,-2.8 -3,-0.6 3,-0.9 0.858 112.2 54.0 -75.3 -40.1 -0.6 -16.0 26.8 209 102 B H H 3X S+ 0 0 52 -4,-2.1 4,-2.1 1,-0.3 -1,-0.2 0.922 103.3 60.6 -57.4 -43.1 -4.3 -16.1 27.6 210 103 B Q H 3< S+ 0 0 163 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.750 118.0 28.8 -53.4 -29.4 -3.8 -19.9 28.1 211 104 B K H <4 S+ 0 0 84 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.2 0.796 134.7 20.1-102.4 -35.9 -1.3 -19.2 30.8 212 105 B Y H < 0 0 25 -4,-2.8 -58,-0.5 -44,-0.0 -3,-0.2 0.378 360.0 360.0-131.1 1.5 -2.3 -15.9 32.4 213 106 B R < 0 0 207 -4,-2.1 0, 0.0 -5,-0.3 0, 0.0 -0.875 360.0 360.0-105.7 360.0 -5.9 -14.9 31.8 214 !* 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 0.0 215 1 C A 0 0 98 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -50.7 8.8 -23.9 3.8 216 2 C D > - 0 0 81 1,-0.1 4,-2.3 41,-0.0 5,-0.2 -0.444 360.0-108.4 -89.8 160.3 11.2 -26.0 5.8 217 3 C L H > S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.930 116.1 54.1 -49.7 -58.8 14.2 -24.8 8.0 218 4 C E H > S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.898 110.1 46.6 -34.5 -64.1 16.9 -26.0 5.6 219 5 C D H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 113.3 47.5 -55.6 -48.8 15.3 -24.1 2.7 220 6 C N H X S+ 0 0 13 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.813 109.3 55.2 -66.0 -30.3 14.9 -20.9 4.6 221 7 C M H X S+ 0 0 54 -4,-2.7 4,-3.0 -3,-0.3 -1,-0.2 0.892 106.9 49.7 -69.5 -40.1 18.4 -21.1 5.9 222 8 C E H X S+ 0 0 106 -4,-2.2 4,-3.3 -5,-0.2 5,-0.3 0.973 111.0 49.2 -57.4 -53.9 19.7 -21.3 2.4 223 9 C T H X S+ 0 0 49 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.866 113.7 48.1 -51.3 -42.4 17.7 -18.3 1.4 224 10 C L H X S+ 0 0 15 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.921 114.3 45.2 -62.5 -49.1 19.1 -16.6 4.5 225 11 C N H X S+ 0 0 64 -4,-3.0 4,-1.4 1,-0.2 3,-0.3 0.920 113.4 49.5 -61.3 -48.3 22.7 -17.6 3.6 226 12 C D H X S+ 0 0 86 -4,-3.3 4,-1.7 1,-0.2 -1,-0.2 0.833 108.5 51.5 -63.4 -38.4 22.4 -16.6 -0.1 227 13 C N H X S+ 0 0 14 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.778 104.4 56.6 -76.1 -24.8 21.0 -13.2 0.5 228 14 C L H X S+ 0 0 14 -4,-1.1 4,-2.3 -3,-0.3 -1,-0.2 0.877 108.7 47.3 -67.6 -41.5 23.8 -12.3 3.0 229 15 C K H X S+ 0 0 106 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.854 110.9 52.4 -70.3 -31.2 26.3 -13.1 0.3 230 16 C V H < S+ 0 0 67 -4,-1.7 4,-0.3 2,-0.2 -2,-0.2 0.871 109.8 49.3 -63.7 -40.7 24.1 -10.9 -2.1 231 17 C I H >< S+ 0 0 1 -4,-2.2 3,-1.0 2,-0.2 -2,-0.2 0.909 109.4 50.8 -65.6 -40.6 24.3 -8.1 0.5 232 18 C E H 3< S+ 0 0 95 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.835 116.9 41.1 -65.8 -32.8 28.1 -8.4 0.7 233 19 C K T 3< S+ 0 0 170 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.305 92.3 123.2 -95.7 4.4 28.3 -8.2 -3.1 234 20 C A < - 0 0 13 -3,-1.0 3,-0.1 -4,-0.3 -3,-0.1 -0.366 38.4-174.7 -70.6 146.2 25.7 -5.5 -3.5 235 21 C D + 0 0 142 1,-0.1 2,-0.2 -2,-0.1 -1,-0.1 0.752 66.3 42.6-102.1 -43.6 26.3 -2.1 -5.2 236 22 C N S > S- 0 0 68 1,-0.1 4,-1.4 62,-0.1 3,-0.4 -0.678 79.0-115.9-111.7 160.4 23.1 -0.2 -4.6 237 23 C A H > S+ 0 0 20 -2,-0.2 4,-1.9 1,-0.2 59,-0.1 0.765 112.6 58.2 -58.8 -30.2 20.6 0.4 -1.8 238 24 C A H > S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.861 102.4 52.4 -71.5 -36.5 17.8 -1.3 -3.7 239 25 C Q H > S+ 0 0 80 -3,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.881 111.2 47.6 -66.6 -39.4 19.7 -4.6 -4.0 240 26 C V H X S+ 0 0 0 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