==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 26-FEB-13 4JE9 . COMPND 2 MOLECULE: SOLUBLE CYTOCHROME B562; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.A.TEZCAN,A.M.MEDINA-MORALES,A.PEREZ,J.D.BRODIN . 212 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12648.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 83.5 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 . 25 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 69.3 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 0 0 0 0 0 0 0 0 0 2 2 0 0 0 2 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 0 109 0, 0.0 5,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -48.0 26.5 -23.1 -17.8 2 2 A D >> - 0 0 101 1,-0.1 3,-1.8 2,-0.1 4,-1.7 -0.115 360.0-131.4 -54.1 137.4 26.4 -25.0 -14.5 3 3 A L H 3> S+ 0 0 31 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.813 110.6 58.6 -57.5 -33.1 22.9 -26.1 -13.2 4 4 A E H 34 S+ 0 0 141 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.479 106.5 50.2 -76.2 -2.0 23.8 -24.6 -9.8 5 5 A D H <> S+ 0 0 88 -3,-1.8 4,-2.5 2,-0.1 -2,-0.2 0.767 107.8 48.8-103.3 -39.7 24.3 -21.3 -11.6 6 6 A N H X S+ 0 0 13 -4,-1.7 4,-3.4 2,-0.2 5,-0.2 0.944 110.6 53.0 -63.5 -44.0 21.0 -21.2 -13.5 7 7 A M H X S+ 0 0 55 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.906 108.9 50.1 -58.3 -39.3 19.2 -22.1 -10.2 8 8 A E H > S+ 0 0 99 -4,-0.3 4,-2.7 2,-0.2 5,-0.2 0.984 112.5 45.7 -62.1 -55.6 20.9 -19.2 -8.5 9 9 A T H X S+ 0 0 49 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.899 112.2 52.4 -51.5 -48.3 19.9 -16.8 -11.3 10 10 A L H X S+ 0 0 15 -4,-3.4 4,-1.2 1,-0.2 -1,-0.2 0.927 113.1 43.0 -55.3 -48.4 16.4 -18.2 -11.2 11 11 A N H X S+ 0 0 76 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.885 113.9 52.1 -66.9 -38.5 16.1 -17.6 -7.5 12 12 A D H X S+ 0 0 89 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.888 109.3 47.5 -65.9 -45.2 17.7 -14.1 -7.6 13 13 A N H X S+ 0 0 20 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.767 103.6 61.0 -74.8 -25.3 15.6 -12.6 -10.2 14 14 A L H X S+ 0 0 18 -4,-1.2 4,-2.2 -5,-0.2 -1,-0.2 0.951 106.1 47.5 -61.4 -52.5 12.4 -13.9 -8.6 15 15 A K H X S+ 0 0 110 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.909 110.3 53.9 -52.4 -46.6 13.3 -11.7 -5.6 16 16 A V H X S+ 0 0 61 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.875 108.8 47.9 -55.6 -42.5 14.0 -8.8 -8.0 17 17 A I H < S+ 0 0 2 -4,-2.1 -1,-0.2 2,-0.2 3,-0.2 0.900 108.0 55.1 -70.1 -39.0 10.6 -9.1 -9.6 18 18 A E H < S+ 0 0 116 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.935 115.2 38.8 -58.5 -47.2 8.8 -9.3 -6.2 19 19 A K H < S+ 0 0 151 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.622 92.7 115.1 -76.0 -17.3 10.5 -5.9 -5.2 20 20 A A < - 0 0 7 -4,-1.1 3,-0.1 -3,-0.2 -3,-0.0 -0.170 43.2-171.7 -52.1 152.1 10.1 -4.3 -8.7 21 21 A D + 0 0 136 1,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.263 63.6 42.8-123.2 12.5 7.8 -1.3 -9.0 22 22 A N S > S- 0 0 64 62,-0.1 4,-1.6 1,-0.1 3,-0.2 -0.975 80.5-109.9-153.7 162.9 7.6 -0.8 -12.8 23 23 A A H > S+ 0 0 24 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.858 109.8 54.6 -67.5 -42.9 7.3 -2.8 -16.0 24 24 A A H > S+ 0 0 61 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.854 108.2 50.2 -58.0 -43.3 10.9 -2.3 -17.4 25 25 A Q H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.891 112.6 47.5 -66.8 -39.2 12.5 -3.7 -14.3 26 26 A V H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.955 111.1 50.3 -68.4 -44.7 10.1 -6.7 -14.4 27 27 A K H X S+ 0 0 94 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.965 108.7 52.1 -55.8 -53.7 10.8 -7.4 -18.1 28 28 A D H X S+ 0 0 92 -4,-2.5 4,-1.3 1,-0.2 3,-0.3 0.932 113.2 44.8 -50.7 -55.8 14.6 -7.2 -17.5 29 29 A A H X S+ 0 0 3 -4,-2.0 4,-1.9 1,-0.2 3,-0.3 0.895 109.6 54.3 -54.0 -44.6 14.4 -9.8 -14.7 30 30 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.839 105.7 56.4 -62.8 -29.1 12.0 -12.1 -16.6 31 31 A T H X S+ 0 0 69 -4,-2.1 4,-1.7 -3,-0.3 -1,-0.2 0.852 105.5 46.8 -72.6 -39.4 14.5 -12.2 -19.5 32 32 A K H X S+ 0 0 109 -4,-1.3 4,-2.8 -3,-0.3 5,-0.2 0.908 112.0 52.8 -69.3 -36.8 17.4 -13.4 -17.4 33 33 A M H X S+ 0 0 3 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.915 107.6 52.0 -59.5 -43.6 15.2 -16.0 -15.9 34 34 A A H X S+ 0 0 27 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.863 111.0 47.1 -59.7 -42.8 14.2 -17.1 -19.4 35 35 A A H X S+ 0 0 61 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.920 111.9 49.0 -69.6 -46.2 17.8 -17.5 -20.4 36 36 A A H X S+ 0 0 7 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.872 112.1 50.0 -60.1 -38.3 18.8 -19.5 -17.2 37 37 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.917 109.8 50.6 -64.8 -43.2 15.8 -21.8 -17.8 38 38 A A H < S+ 0 0 52 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.943 112.8 45.2 -57.1 -52.7 16.8 -22.4 -21.4 39 39 A D H >< S+ 0 0 78 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.896 111.6 53.0 -58.4 -50.0 20.4 -23.3 -20.5 40 40 A A H >< S+ 0 0 0 -4,-2.3 3,-2.8 1,-0.2 -1,-0.2 0.897 90.9 76.2 -52.3 -49.7 19.3 -25.5 -17.5 41 41 A W T 3< S+ 0 0 116 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.721 94.2 52.0 -30.8 -32.3 16.9 -27.6 -19.8 42 42 A S T < S+ 0 0 92 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.1 0.339 92.7 102.4 -97.2 8.8 20.0 -29.4 -21.3 43 43 A A < - 0 0 21 -3,-2.8 -41,-0.0 -4,-0.0 -3,-0.0 -0.374 64.8-132.3 -97.1 166.3 21.6 -30.5 -18.0 44 44 A T - 0 0 78 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.964 25.6-140.4-116.1 112.7 21.8 -33.7 -16.0 45 45 A P >> - 0 0 7 0, 0.0 3,-1.8 0, 0.0 4,-0.6 -0.449 26.6-107.9 -70.7 146.4 20.9 -33.3 -12.3 46 46 A P G >4 S+ 0 0 100 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.816 119.5 55.2 -39.0 -40.0 23.0 -35.3 -9.7 47 47 A K G 34 S+ 0 0 131 58,-0.5 3,-0.4 1,-0.2 59,-0.1 0.833 109.9 43.7 -70.4 -28.5 20.0 -37.5 -9.1 48 48 A L G X4 S+ 0 0 10 -3,-1.8 3,-2.0 1,-0.2 -1,-0.2 0.313 75.3 107.8 -99.8 10.7 19.5 -38.6 -12.8 49 49 A E T << S+ 0 0 139 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.1 0.830 82.5 50.6 -56.8 -32.7 23.2 -39.2 -13.8 50 50 A D T 3 S+ 0 0 130 -3,-0.4 -1,-0.3 -4,-0.2 2,-0.2 0.459 94.9 96.3 -83.8 -4.4 22.5 -43.0 -13.9 51 51 A K S < S- 0 0 90 -3,-2.0 -3,-0.0 1,-0.1 0, 0.0 -0.595 85.8 -94.8 -90.8 150.0 19.4 -42.7 -16.1 52 52 A S > - 0 0 69 -2,-0.2 3,-2.2 1,-0.1 6,-0.4 -0.316 27.2-130.9 -50.8 132.5 19.0 -43.1 -19.9 53 53 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.860 116.4 47.1 -55.8 -31.1 19.2 -39.7 -21.7 54 54 A D T 3 S+ 0 0 115 4,-0.1 -2,-0.1 5,-0.0 5,-0.0 0.282 91.3 127.7 -87.5 5.0 16.0 -41.1 -23.4 55 55 A S S <> S- 0 0 9 -3,-2.2 4,-2.1 1,-0.1 5,-0.2 -0.107 74.6-114.4 -63.7 159.6 14.5 -42.2 -20.0 56 56 A P H > S+ 0 0 82 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.850 118.2 56.4 -58.4 -30.8 10.9 -41.2 -18.9 57 57 A E H > S+ 0 0 57 2,-0.2 4,-3.3 1,-0.2 5,-0.1 0.914 109.1 42.6 -68.7 -44.0 12.7 -39.3 -16.0 58 58 A M H > S+ 0 0 10 -6,-0.4 4,-2.3 2,-0.2 5,-0.2 0.808 111.4 54.1 -74.8 -31.1 14.9 -37.1 -18.4 59 59 A H H X S+ 0 0 96 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.896 115.5 42.5 -64.1 -35.4 12.0 -36.5 -20.8 60 60 A D H X S+ 0 0 42 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.912 111.5 52.9 -75.7 -49.0 10.0 -35.2 -17.7 61 61 A F H X S+ 0 0 8 -4,-3.3 4,-1.3 2,-0.2 -2,-0.2 0.953 115.8 41.4 -46.5 -56.8 13.0 -33.3 -16.2 62 62 A R H X S+ 0 0 52 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.874 111.2 56.6 -61.8 -40.0 13.4 -31.5 -19.6 63 63 A H H X S+ 0 0 88 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.878 99.6 60.2 -59.3 -36.9 9.6 -31.2 -19.8 64 64 A G H X S+ 0 0 11 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.898 107.1 46.2 -58.1 -38.0 9.6 -29.3 -16.4 65 65 A F H X S+ 0 0 13 -4,-1.3 4,-3.0 2,-0.2 5,-0.3 0.907 106.7 57.5 -71.8 -36.6 11.8 -26.7 -17.9 66 66 A W H X S+ 0 0 172 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.914 109.7 45.8 -54.0 -46.5 9.6 -26.5 -21.0 67 67 A I H X S+ 0 0 35 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.951 113.4 49.7 -60.8 -53.2 6.6 -25.7 -18.6 68 68 A L H X S+ 0 0 10 -4,-2.5 4,-2.8 1,-0.2 3,-0.3 0.942 110.1 48.6 -50.4 -56.0 8.7 -23.1 -16.7 69 69 A I H X S+ 0 0 56 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.924 109.6 54.3 -54.5 -44.0 9.9 -21.3 -19.8 70 70 A G H X S+ 0 0 31 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.2 0.878 110.9 44.4 -54.8 -45.8 6.4 -21.2 -21.1 71 71 A Q H X S+ 0 0 38 -4,-2.1 4,-2.0 -3,-0.3 -1,-0.2 0.814 111.5 53.2 -72.2 -36.8 5.1 -19.5 -17.9 72 72 A I H X S+ 0 0 1 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.863 107.8 52.7 -59.0 -33.0 8.1 -17.1 -17.9 73 73 A H H X S+ 0 0 100 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.808 109.5 47.7 -79.3 -29.7 7.1 -16.2 -21.5 74 74 A D H X S+ 0 0 93 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.876 111.8 50.1 -74.8 -37.0 3.5 -15.5 -20.4 75 75 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 3,-0.4 0.959 109.5 52.3 -64.4 -49.5 4.8 -13.4 -17.5 76 76 A L H X S+ 0 0 31 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.916 105.1 55.6 -50.8 -45.9 7.0 -11.5 -19.8 77 77 A H H X S+ 0 0 106 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.865 104.9 51.6 -63.3 -34.8 4.1 -10.8 -22.1 78 78 A L H ><>S+ 0 0 54 -4,-1.7 3,-1.4 -3,-0.4 5,-1.2 0.964 110.1 49.4 -60.3 -46.2 2.2 -9.2 -19.3 79 79 A A H ><5S+ 0 0 4 -4,-2.0 3,-1.5 1,-0.3 -2,-0.2 0.845 104.3 59.7 -63.8 -32.3 5.2 -6.9 -18.5 80 80 A N H 3<5S+ 0 0 80 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.673 104.7 50.4 -71.0 -18.6 5.6 -5.9 -22.1 81 81 A C T <<5S- 0 0 76 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.024 123.1-102.8-103.1 21.6 2.0 -4.5 -22.1 82 82 A G T < 5S+ 0 0 47 -3,-1.5 2,-1.9 1,-0.2 3,-0.2 0.169 79.8 135.7 83.2 -19.7 2.5 -2.4 -19.0 83 83 A K >< + 0 0 102 -5,-1.2 4,-2.0 -6,-0.2 -1,-0.2 -0.383 20.2 161.0 -65.2 79.0 0.6 -4.9 -16.8 84 84 A V H > + 0 0 29 -2,-1.9 4,-2.1 1,-0.2 5,-0.2 0.935 67.0 46.4 -73.5 -51.4 3.1 -5.0 -13.9 85 85 A K H > S+ 0 0 162 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.882 113.4 50.0 -61.0 -40.4 1.0 -6.3 -11.1 86 86 A E H > S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.938 111.9 49.1 -66.3 -38.9 -0.4 -9.1 -13.2 87 87 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.795 110.6 49.4 -70.5 -31.1 3.2 -10.0 -14.3 88 88 A Q H X S+ 0 0 41 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.859 110.2 51.9 -74.3 -32.5 4.5 -10.0 -10.7 89 89 A A H X S+ 0 0 52 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.907 109.1 50.5 -67.5 -39.5 1.6 -12.3 -9.7 90 90 A A H X S+ 0 0 16 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.850 109.4 50.3 -63.4 -37.3 2.5 -14.6 -12.5 91 91 A A H >X S+ 0 0 1 -4,-1.5 3,-0.8 2,-0.2 4,-0.5 0.920 107.1 54.4 -68.9 -49.8 6.1 -14.7 -11.4 92 92 A E H >< S+ 0 0 101 -4,-2.5 3,-1.2 1,-0.2 4,-0.2 0.916 104.7 55.1 -40.5 -47.8 5.0 -15.5 -7.8 93 93 A Q H >X S+ 0 0 62 -4,-1.9 3,-2.0 1,-0.2 4,-0.6 0.788 88.2 78.9 -64.9 -23.9 3.1 -18.5 -9.2 94 94 A L H XX S+ 0 0 2 -4,-0.8 4,-1.9 -3,-0.8 3,-1.0 0.838 77.6 73.7 -53.9 -35.7 6.2 -19.8 -10.9 95 95 A K H S+ 0 0 36 -3,-2.0 4,-2.2 -4,-0.2 -1,-0.3 0.933 107.5 43.3 -68.8 -40.7 4.8 -24.0 -7.6 97 97 A T H - 0 0 83 1,-0.1 4,-1.9 41,-0.0 5,-0.1 -0.031 360.0-120.7 -63.1 164.0 -22.7 -25.5 -8.1 110 3 B L H > S+ 0 0 34 2,-0.2 4,-2.5 1,-0.1 5,-0.2 0.961 117.6 51.8 -67.2 -51.9 -19.2 -24.0 -8.3 111 4 B E H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.860 109.9 49.0 -48.9 -43.7 -18.6 -25.2 -4.7 112 5 B D H > S+ 0 0 74 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.944 108.5 52.7 -67.5 -45.3 -19.7 -28.7 -5.7 113 6 B N H X S+ 0 0 7 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.920 109.6 50.9 -50.8 -44.3 -17.4 -28.7 -8.8 114 7 B M H X S+ 0 0 52 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.882 106.9 52.3 -68.9 -36.0 -14.5 -27.7 -6.5 115 8 B E H X S+ 0 0 109 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.951 108.7 49.8 -62.9 -46.5 -15.2 -30.5 -4.1 116 9 B T H X S+ 0 0 51 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.923 112.0 50.6 -54.7 -45.3 -15.2 -33.1 -6.9 117 10 B L H X S+ 0 0 15 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.956 114.2 42.1 -58.8 -49.3 -11.9 -31.6 -8.0 118 11 B N H X S+ 0 0 102 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.917 113.7 50.2 -67.5 -45.0 -10.3 -31.8 -4.5 119 12 B D H X S+ 0 0 96 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.906 111.3 51.1 -55.7 -46.9 -11.6 -35.3 -3.5 120 13 B N H X S+ 0 0 15 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.807 101.5 57.6 -65.7 -34.6 -10.3 -36.7 -6.8 121 14 B L H X S+ 0 0 21 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.908 108.7 49.6 -59.1 -46.3 -6.8 -35.3 -6.5 122 15 B K H X S+ 0 0 106 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.921 107.5 52.1 -57.6 -45.4 -6.6 -37.2 -3.3 123 16 B V H X S+ 0 0 69 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.910 110.3 51.1 -59.2 -39.5 -7.8 -40.4 -4.9 124 17 B I H >< S+ 0 0 1 -4,-2.3 3,-0.7 2,-0.2 -2,-0.2 0.951 109.3 48.7 -62.6 -50.3 -5.1 -39.9 -7.5 125 18 B E H 3< S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.849 119.5 39.1 -51.0 -44.6 -2.3 -39.4 -4.9 126 19 B K H 3< S+ 0 0 140 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.539 90.1 123.2 -87.3 -7.6 -3.5 -42.6 -3.1 127 20 B A << - 0 0 10 -4,-1.0 3,-0.1 -3,-0.7 -3,-0.1 -0.127 44.5-163.4 -62.7 151.8 -4.3 -44.7 -6.2 128 21 B D + 0 0 141 1,-0.1 2,-0.3 63,-0.0 -1,-0.1 0.428 68.6 21.9-104.4 -9.5 -2.6 -48.1 -6.7 129 22 B N S > S- 0 0 65 62,-0.1 4,-1.6 1,-0.1 3,-0.2 -0.974 79.7 -99.5-159.7 167.3 -3.4 -48.6 -10.4 130 23 B A H > S+ 0 0 24 -2,-0.3 4,-3.6 1,-0.2 5,-0.2 0.839 113.5 58.3 -64.3 -41.7 -4.2 -46.9 -13.7 131 24 B A H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 106.7 51.2 -55.9 -44.5 -8.0 -47.6 -13.7 132 25 B Q H > S+ 0 0 79 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.926 114.0 42.1 -58.7 -47.1 -8.2 -45.7 -10.3 133 26 B V H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 5,-0.3 0.968 113.0 53.8 -66.8 -46.6 -6.4 -42.7 -11.7 134 27 B K H X S+ 0 0 95 -4,-3.6 4,-1.8 1,-0.2 -2,-0.2 0.874 109.9 47.5 -54.6 -42.9 -8.3 -42.8 -15.0 135 28 B D H X S+ 0 0 80 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.899 111.9 49.6 -70.2 -41.6 -11.6 -42.7 -13.2 136 29 B A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.874 110.8 49.4 -64.5 -38.0 -10.6 -39.9 -11.0 137 30 B L H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.879 106.7 55.1 -67.2 -37.9 -9.3 -37.8 -14.0 138 31 B T H X S+ 0 0 72 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.920 109.9 47.4 -62.2 -41.1 -12.6 -38.4 -16.0 139 32 B K H X S+ 0 0 99 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.842 111.8 50.3 -69.3 -35.9 -14.6 -36.9 -12.9 140 33 B M H X S+ 0 0 2 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.912 107.5 53.6 -66.4 -39.9 -12.2 -34.0 -12.7 141 34 B A H X S+ 0 0 38 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.948 111.5 46.2 -57.5 -47.6 -12.6 -33.3 -16.5 142 35 B A H X S+ 0 0 65 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.855 112.7 49.2 -63.9 -40.4 -16.4 -33.2 -16.1 143 36 B A H X S+ 0 0 5 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.960 111.2 49.6 -64.1 -49.3 -16.1 -30.9 -13.0 144 37 B A H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.891 110.4 49.8 -55.0 -47.7 -13.8 -28.5 -14.7 145 38 B A H < S+ 0 0 60 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.911 113.7 46.4 -56.5 -47.0 -16.0 -28.2 -17.8 146 39 B D H >< S+ 0 0 67 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.904 110.6 52.1 -63.3 -44.3 -19.0 -27.5 -15.6 147 40 B A H >< S+ 0 0 0 -4,-2.5 3,-2.3 1,-0.2 -1,-0.2 0.806 91.1 80.2 -61.3 -34.9 -17.1 -24.9 -13.4 148 41 B W T 3< S+ 0 0 116 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.754 90.2 50.2 -40.4 -41.1 -16.1 -23.0 -16.6 149 42 B S T < S+ 0 0 86 -3,-0.9 -1,-0.3 -4,-0.4 2,-0.1 0.355 91.4 108.3 -88.0 5.7 -19.4 -21.2 -16.9 150 43 B A < - 0 0 23 -3,-2.3 -41,-0.0 -4,-0.1 -3,-0.0 -0.460 60.6-141.7 -88.9 155.3 -19.6 -20.0 -13.3 151 44 B T - 0 0 76 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.976 22.8-136.2-109.4 118.9 -19.2 -16.6 -11.9 152 45 B P > - 0 0 7 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.512 24.0-111.4 -75.3 149.0 -17.3 -16.6 -8.6 153 46 B P G > S+ 0 0 91 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.740 117.3 57.4 -47.4 -30.4 -18.7 -14.4 -5.8 154 47 B K G 3 S+ 0 0 136 58,-0.4 3,-0.2 1,-0.2 59,-0.1 0.743 110.4 42.0 -79.7 -19.9 -15.6 -12.1 -6.1 155 48 B L G X S+ 0 0 7 -3,-1.8 3,-1.4 1,-0.1 -1,-0.2 0.179 82.6 111.4-102.0 14.8 -16.3 -11.4 -9.8 156 49 B E T < S+ 0 0 142 -3,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.865 79.2 45.4 -55.4 -41.3 -20.1 -11.0 -9.2 157 50 B D T 3 S+ 0 0 128 -4,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.449 97.5 95.5 -82.8 -3.4 -20.0 -7.3 -9.9 158 51 B K S < S- 0 0 85 -3,-1.4 -3,-0.0 1,-0.1 4,-0.0 -0.692 81.0 -99.2 -96.7 145.6 -17.9 -7.5 -13.1 159 52 B S > - 0 0 63 -2,-0.3 3,-1.8 1,-0.1 6,-0.4 -0.089 29.8-114.7 -50.5 150.5 -19.0 -7.7 -16.7 160 53 B P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.729 120.9 45.4 -55.1 -22.8 -19.2 -11.1 -18.6 161 54 B D T 3 S+ 0 0 112 4,-0.1 -2,-0.1 5,-0.0 -3,-0.0 0.052 82.1 134.2-113.6 21.0 -16.4 -9.7 -20.7 162 55 B S S <> S- 0 0 11 -3,-1.8 4,-2.1 1,-0.1 5,-0.3 -0.386 71.6-114.9 -67.6 145.0 -14.1 -8.2 -18.1 163 56 B P H > S+ 0 0 106 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.926 120.8 57.4 -41.0 -42.9 -10.4 -8.8 -18.4 164 57 B E H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.915 104.0 45.0 -54.1 -56.3 -11.1 -10.7 -15.1 165 58 B M H > S+ 0 0 8 -6,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.773 113.6 51.6 -66.9 -26.5 -13.8 -13.1 -16.4 166 59 B H H X S+ 0 0 104 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.871 111.6 47.0 -71.5 -37.4 -11.8 -13.9 -19.5 167 60 B D H X S+ 0 0 49 -4,-1.9 4,-1.5 -5,-0.3 -2,-0.2 0.874 111.6 51.9 -69.0 -41.8 -8.7 -14.7 -17.3 168 61 B F H X S+ 0 0 8 -4,-2.4 4,-0.9 2,-0.2 3,-0.4 0.921 109.9 47.3 -61.0 -50.2 -10.9 -16.8 -15.0 169 62 B R H X S+ 0 0 47 -4,-1.8 4,-1.5 1,-0.2 3,-0.4 0.850 108.0 58.1 -61.5 -34.5 -12.3 -18.9 -17.8 170 63 B H H X S+ 0 0 87 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.821 97.3 59.2 -67.8 -34.7 -8.7 -19.3 -19.2 171 64 B G H X S+ 0 0 14 -4,-1.5 4,-2.0 -3,-0.4 -1,-0.2 0.807 107.1 48.5 -62.0 -31.5 -7.5 -20.9 -16.0 172 65 B F H X S+ 0 0 12 -4,-0.9 4,-3.4 -3,-0.4 -2,-0.2 0.863 105.5 57.5 -77.2 -33.6 -10.1 -23.6 -16.5 173 66 B W H X S+ 0 0 169 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.850 109.5 46.0 -58.5 -36.9 -8.9 -23.9 -20.1 174 67 B I H X S+ 0 0 59 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.959 113.2 47.5 -74.4 -52.4 -5.4 -24.7 -18.7 175 68 B L H X S+ 0 0 11 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.938 110.4 53.5 -54.0 -52.7 -6.7 -27.2 -16.1 176 69 B I H X S+ 0 0 62 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.898 110.7 45.7 -48.4 -46.8 -8.9 -28.9 -18.7 177 70 B G H X S+ 0 0 28 -4,-1.5 4,-1.9 -3,-0.2 -2,-0.2 0.927 113.8 50.1 -67.1 -47.3 -5.8 -29.4 -21.1 178 71 B Q H X S+ 0 0 46 -4,-3.1 4,-2.4 2,-0.2 3,-0.3 0.947 111.4 46.3 -51.5 -51.9 -3.6 -30.6 -18.1 179 72 B I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.907 110.9 53.9 -61.1 -44.8 -6.3 -33.2 -17.0 180 73 B H H X S+ 0 0 99 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.845 110.1 46.9 -53.3 -39.4 -6.7 -34.3 -20.6 181 74 B D H X S+ 0 0 97 -4,-1.9 4,-1.7 -3,-0.3 -2,-0.2 0.885 111.4 51.5 -73.0 -37.2 -2.9 -34.9 -20.9 182 75 B A H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.901 107.4 53.9 -62.5 -43.0 -2.9 -36.8 -17.5 183 76 B L H X S+ 0 0 29 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.891 102.2 55.8 -58.5 -44.0 -5.7 -38.9 -18.8 184 77 B H H X S+ 0 0 107 -4,-1.4 4,-1.0 1,-0.2 -2,-0.2 0.942 110.2 48.5 -55.7 -44.0 -3.6 -39.9 -21.9 185 78 B L H ><>S+ 0 0 49 -4,-1.7 5,-2.3 1,-0.2 3,-0.6 0.916 112.1 46.1 -58.3 -52.5 -0.9 -41.1 -19.5 186 79 B A H ><5S+ 0 0 4 -4,-2.6 3,-2.3 1,-0.2 -1,-0.2 0.891 108.1 56.4 -62.9 -39.2 -3.4 -43.1 -17.4 187 80 B N H 3<5S+ 0 0 85 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.768 107.8 51.3 -63.7 -22.4 -5.0 -44.6 -20.5 188 81 B C T <<5S- 0 0 93 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.300 120.9-111.4 -94.6 7.3 -1.5 -45.8 -21.4 189 82 B G T < 5S+ 0 0 43 -3,-2.3 2,-1.8 1,-0.2 -3,-0.2 0.579 70.2 142.4 79.6 8.6 -1.0 -47.4 -17.9 190 83 B K >< + 0 0 103 -5,-2.3 4,-2.0 1,-0.2 -1,-0.2 -0.550 19.6 168.8 -86.8 82.0 1.6 -44.8 -16.8 191 84 B V H > + 0 0 31 -2,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.961 68.7 41.6 -66.9 -54.7 0.5 -44.6 -13.3 192 85 B K H > S+ 0 0 150 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.842 113.2 52.1 -66.5 -33.4 3.3 -42.7 -11.7 193 86 B E H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.882 109.7 51.6 -72.1 -30.3 3.7 -40.2 -14.5 194 87 B A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.869 108.7 50.6 -66.2 -37.8 -0.0 -39.5 -14.2 195 88 B Q H X S+ 0 0 26 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.919 110.2 49.5 -68.8 -39.0 0.4 -38.9 -10.5 196 89 B A H X S+ 0 0 25 -4,-2.3 4,-2.2 1,-0.2 3,-0.3 0.893 107.9 54.4 -61.4 -44.9 3.2 -36.5 -11.2 197 90 B A H X S+ 0 0 28 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.875 106.5 52.0 -53.9 -40.3 1.0 -34.8 -13.8 198 91 B A H X S+ 0 0 2 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.819 106.1 54.1 -63.3 -36.0 -1.6 -34.3 -11.0 199 92 B E H >X S+ 0 0 78 -4,-1.3 3,-1.3 -3,-0.3 4,-0.5 0.969 110.7 45.4 -63.1 -53.9 1.0 -32.7 -8.7 200 93 B Q H >X S+ 0 0 27 -4,-2.2 3,-1.6 1,-0.3 4,-0.5 0.893 103.9 64.7 -56.1 -44.7 1.9 -30.2 -11.4 201 94 B L H >X S+ 0 0 3 -4,-2.2 4,-1.4 1,-0.3 3,-1.1 0.789 87.9 70.4 -45.1 -39.8 -1.8 -29.6 -12.0 202 95 B K H