==== 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 4JEB . 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) . 13242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 81.6 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 . 30 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 2 2 0 0 0 0 2 0 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 92 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.7 11.2 1.7 1.5 2 2 A D > - 0 0 90 1,-0.1 4,-1.9 41,-0.0 5,-0.1 -0.207 360.0 -99.7 -78.8 173.7 14.4 2.7 -0.3 3 3 A L H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.906 120.9 53.3 -62.4 -40.6 15.1 2.0 -4.0 4 4 A E H > S+ 0 0 164 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.907 110.1 47.3 -60.6 -46.7 17.3 -1.1 -3.4 5 5 A D H > S+ 0 0 74 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.843 110.5 52.7 -67.4 -35.7 14.5 -2.7 -1.2 6 6 A N H X S+ 0 0 11 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.927 109.5 48.7 -63.9 -45.5 11.9 -1.9 -3.8 7 7 A M H X S+ 0 0 58 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.868 108.4 54.6 -58.9 -41.7 14.0 -3.6 -6.6 8 8 A E H X S+ 0 0 110 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.925 108.6 47.1 -62.5 -44.8 14.5 -6.7 -4.4 9 9 A T H X S+ 0 0 48 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.894 112.5 51.1 -63.6 -35.4 10.7 -7.1 -3.9 10 10 A L H X S+ 0 0 20 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.956 114.1 43.6 -60.0 -50.2 10.3 -6.7 -7.7 11 11 A N H X S+ 0 0 89 -4,-2.8 4,-1.2 1,-0.2 3,-0.3 0.917 113.6 50.3 -62.8 -47.6 13.0 -9.3 -8.3 12 12 A D H X S+ 0 0 69 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.871 108.7 51.5 -59.1 -42.3 11.7 -11.8 -5.7 13 13 A N H X S+ 0 0 18 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.760 101.0 60.8 -76.7 -20.9 8.1 -11.7 -6.9 14 14 A L H X S+ 0 0 20 -4,-1.2 4,-1.7 -3,-0.3 -1,-0.2 0.951 107.9 45.8 -61.5 -47.4 9.0 -12.4 -10.5 15 15 A K H X S+ 0 0 110 -4,-1.2 4,-1.5 1,-0.2 -2,-0.2 0.901 109.3 54.6 -63.9 -42.6 10.5 -15.8 -9.2 16 16 A V H < S+ 0 0 73 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.847 106.0 54.0 -58.4 -34.8 7.4 -16.5 -7.1 17 17 A I H >< S+ 0 0 3 -4,-1.6 3,-1.0 1,-0.2 -1,-0.2 0.907 103.2 55.4 -68.7 -42.7 5.2 -16.0 -10.2 18 18 A E H 3< S+ 0 0 102 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.931 114.7 39.8 -47.6 -50.2 7.2 -18.6 -12.3 19 19 A K T 3< S+ 0 0 158 -4,-1.5 -1,-0.2 2,-0.0 -2,-0.2 0.305 88.2 125.7 -93.9 5.3 6.6 -21.3 -9.6 20 20 A A < - 0 0 15 -3,-1.0 3,-0.1 -4,-0.4 -3,-0.1 -0.117 41.9-162.4 -67.1 159.7 3.0 -20.5 -8.7 21 21 A D + 0 0 143 1,-0.2 2,-0.3 63,-0.0 -1,-0.1 0.637 67.0 22.2-118.2 -19.5 0.2 -23.1 -8.7 22 22 A N S > S- 0 0 75 62,-0.1 4,-1.1 1,-0.0 3,-0.4 -0.893 78.2-102.1-144.5 175.6 -3.1 -21.1 -8.7 23 23 A A H > S+ 0 0 30 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.752 112.3 61.1 -74.4 -30.3 -4.5 -17.6 -9.5 24 24 A A H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.853 106.4 48.1 -64.3 -36.2 -4.7 -16.3 -5.9 25 25 A Q H > S+ 0 0 89 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.775 112.2 47.3 -75.9 -32.2 -0.9 -16.7 -5.6 26 26 A V H X S+ 0 0 1 -4,-1.1 4,-2.8 2,-0.2 5,-0.2 0.939 113.8 49.6 -69.3 -46.7 -0.2 -14.9 -9.0 27 27 A K H X S+ 0 0 94 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.914 110.1 50.0 -54.4 -52.1 -2.7 -12.2 -7.9 28 28 A D H X S+ 0 0 88 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.921 114.0 44.8 -55.2 -50.3 -0.9 -11.7 -4.5 29 29 A A H X S+ 0 0 2 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.886 112.1 49.9 -67.2 -43.3 2.5 -11.4 -6.1 30 30 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 3,-0.2 0.938 108.7 54.7 -56.3 -46.6 1.5 -9.0 -8.9 31 31 A T H X S+ 0 0 77 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.915 107.1 49.7 -54.5 -47.4 -0.2 -6.8 -6.3 32 32 A K H X S+ 0 0 100 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.827 109.4 52.3 -60.9 -35.4 3.0 -6.6 -4.2 33 33 A M H X S+ 0 0 6 -4,-1.6 4,-2.6 -3,-0.2 -2,-0.2 0.899 105.8 54.3 -66.2 -43.8 5.0 -5.6 -7.5 34 34 A A H X S+ 0 0 26 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.929 111.1 45.5 -54.8 -46.6 2.5 -2.7 -8.3 35 35 A A H X S+ 0 0 66 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.814 111.5 51.4 -68.4 -38.0 3.0 -1.2 -4.8 36 36 A A H X S+ 0 0 5 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.932 112.6 46.8 -60.2 -46.2 6.8 -1.6 -5.0 37 37 A A H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.877 110.8 51.9 -66.1 -40.6 6.7 0.2 -8.4 38 38 A A H < S+ 0 0 58 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.876 111.4 46.7 -61.0 -41.9 4.4 3.0 -7.1 39 39 A D H >< S+ 0 0 72 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.961 112.1 50.8 -65.0 -45.5 6.8 3.7 -4.2 40 40 A A H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.759 88.9 82.4 -63.6 -29.0 9.9 3.7 -6.5 41 41 A W T 3< S+ 0 0 112 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.821 94.7 45.3 -44.2 -36.5 8.2 6.2 -8.9 42 42 A S T < S+ 0 0 89 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.1 0.134 91.9 105.9-100.6 19.0 9.3 9.1 -6.6 43 43 A A < - 0 0 27 -3,-2.1 -41,-0.0 -41,-0.0 19,-0.0 -0.487 62.9-132.2 -88.3 166.0 13.0 8.1 -5.8 44 44 A T - 0 0 82 -2,-0.1 -41,-0.1 17,-0.0 5,-0.1 -0.983 23.3-138.0-113.8 119.1 16.3 9.6 -7.2 45 45 A P > - 0 0 6 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.410 20.0-116.2 -70.4 151.9 18.8 7.0 -8.5 46 46 A P G > S+ 0 0 92 0, 0.0 3,-2.9 0, 0.0 4,-0.2 0.963 113.7 58.9 -50.4 -56.2 22.5 7.4 -7.6 47 47 A K G 3 S+ 0 0 141 58,-0.3 59,-0.1 1,-0.3 3,-0.0 0.465 112.0 43.6 -57.4 3.1 23.6 7.9 -11.2 48 48 A L G X S+ 0 0 15 -3,-1.8 3,-2.0 57,-0.1 -1,-0.3 0.309 73.9 115.1-131.0 8.6 21.2 10.9 -11.4 49 49 A E T < S+ 0 0 151 -3,-2.9 -2,-0.1 1,-0.3 -1,-0.1 0.749 75.2 56.0 -47.1 -34.6 22.0 12.6 -8.1 50 50 A D T 3 S+ 0 0 148 -4,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.318 92.5 93.9 -89.1 8.2 23.4 15.8 -9.8 51 51 A K S < S- 0 0 80 -3,-2.0 -3,-0.1 1,-0.1 0, 0.0 -0.639 77.7-106.0-104.3 158.7 20.2 16.5 -11.9 52 52 A S > - 0 0 74 -2,-0.2 3,-2.6 1,-0.1 6,-0.3 -0.559 26.6-121.5 -80.9 142.9 17.1 18.7 -11.5 53 53 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.565 116.7 50.7 -59.4 -9.8 13.7 17.0 -10.6 54 54 A D T 3 S+ 0 0 117 4,-0.1 -2,-0.0 5,-0.0 -3,-0.0 0.344 85.6 120.7-105.6 2.7 12.4 18.6 -13.8 55 55 A S S X> S- 0 0 12 -3,-2.6 4,-2.1 1,-0.1 3,-1.1 -0.463 74.1-119.3 -75.7 138.9 15.2 17.3 -16.0 56 56 A P H 3> S+ 0 0 102 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.641 113.4 57.9 -55.6 -20.3 14.3 15.0 -18.9 57 57 A E H 3> S+ 0 0 64 2,-0.2 4,-1.8 3,-0.1 5,-0.1 0.912 110.5 43.6 -69.6 -44.8 16.4 12.1 -17.5 58 58 A M H <> S+ 0 0 8 -3,-1.1 4,-2.7 -6,-0.3 5,-0.2 0.918 113.6 50.4 -63.7 -44.5 14.2 12.3 -14.3 59 59 A A H X S+ 0 0 43 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.860 112.9 46.7 -64.4 -35.2 11.0 12.6 -16.3 60 60 A D H X S+ 0 0 61 -4,-1.2 4,-1.1 -5,-0.3 -1,-0.2 0.833 110.5 53.3 -71.9 -36.8 12.0 9.6 -18.4 61 61 A F H >X S+ 0 0 9 -4,-1.8 4,-0.9 2,-0.2 3,-0.5 0.927 109.7 47.6 -65.6 -49.3 12.9 7.6 -15.3 62 62 A R H >X S+ 0 0 58 -4,-2.7 4,-1.4 1,-0.2 3,-1.1 0.941 107.7 57.6 -53.1 -47.0 9.5 8.3 -13.7 63 63 A H H 3X S+ 0 0 55 -4,-1.8 4,-1.6 1,-0.3 -1,-0.2 0.734 97.0 60.8 -62.3 -28.4 7.9 7.3 -17.0 64 64 A G H X S+ 0 0 55 -4,-1.6 4,-1.3 1,-0.2 3,-0.6 0.901 108.1 55.1 -65.4 -39.4 -3.0 -6.1 -17.8 75 75 A A H 3X S+ 0 0 1 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.864 102.5 58.6 -58.2 -35.5 -1.4 -9.2 -16.3 76 76 A L H 3X S+ 0 0 36 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.801 100.2 54.9 -66.3 -30.1 -3.9 -8.9 -13.4 77 77 A H H S+ 0 0 52 -4,-1.3 5,-0.9 1,-0.2 4,-0.3 0.859 108.1 49.4 -69.4 -33.7 -5.4 -12.4 -17.2 79 79 A A H ><5S+ 0 0 5 -4,-1.5 3,-0.6 1,-0.2 -1,-0.2 0.811 108.5 53.2 -71.5 -32.0 -5.3 -13.9 -13.6 80 80 A N H 3<5S+ 0 0 121 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.713 103.0 57.1 -79.4 -20.9 -8.9 -12.8 -12.9 81 81 A a T 3<5S- 0 0 94 -4,-1.2 -1,-0.2 -3,-0.1 -2,-0.2 0.533 117.4-111.9 -73.3 -15.0 -10.2 -14.6 -16.1 82 82 A G T < 5S+ 0 0 55 -3,-0.6 2,-2.2 -4,-0.3 3,-0.2 0.317 80.6 132.0 88.3 -7.4 -8.7 -17.9 -14.8 83 83 A K >< + 0 0 100 -5,-0.9 4,-1.7 -6,-0.2 -1,-0.1 -0.467 23.9 160.0 -74.5 70.2 -6.2 -17.7 -17.7 84 84 A V H > + 0 0 34 -2,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.850 64.8 52.9 -63.1 -43.2 -3.2 -18.4 -15.3 85 85 A K H > S+ 0 0 161 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.869 109.5 48.4 -66.9 -38.7 -0.7 -19.6 -17.9 86 86 A E H > S+ 0 0 95 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.901 109.8 53.9 -67.8 -41.9 -1.1 -16.5 -20.0 87 87 A A H X S+ 0 0 1 -4,-1.7 4,-2.2 -9,-0.2 -2,-0.2 0.927 107.3 50.7 -53.0 -48.6 -0.7 -14.4 -16.9 88 88 A Q H X S+ 0 0 36 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.902 110.8 49.3 -60.9 -39.5 2.6 -16.2 -16.1 89 89 A A H X S+ 0 0 60 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.884 107.8 52.0 -69.3 -40.5 3.8 -15.5 -19.6 90 90 A A H X S+ 0 0 34 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.888 107.0 56.3 -61.9 -35.8 2.9 -11.8 -19.5 91 91 A A H >< S+ 0 0 3 -4,-2.2 3,-0.9 -5,-0.2 4,-0.2 0.880 103.2 52.4 -61.6 -39.2 4.9 -11.6 -16.2 92 92 A E H >< S+ 0 0 76 -4,-1.4 3,-1.8 1,-0.2 -2,-0.2 0.921 101.8 61.5 -66.0 -39.9 8.1 -13.0 -17.9 93 93 A Q H >< S+ 0 0 144 -4,-1.8 3,-1.2 1,-0.3 4,-0.4 0.625 82.7 81.3 -57.0 -21.4 7.9 -10.3 -20.6 94 94 A L T XX S+ 0 0 4 -3,-0.9 4,-2.0 -4,-0.5 3,-1.2 0.741 71.6 80.2 -55.7 -25.8 8.2 -7.5 -17.9 95 95 A K H <> S+ 0 0 93 -3,-1.8 4,-3.4 1,-0.3 5,-0.3 0.837 81.6 64.2 -54.1 -35.8 12.0 -8.1 -18.1 96 96 A C H <> S+ 0 0 99 -3,-1.2 4,-2.1 2,-0.2 -1,-0.3 0.869 105.6 43.2 -52.3 -45.2 12.1 -6.0 -21.2 97 97 A T H <> S+ 0 0 24 -3,-1.2 4,-1.6 -4,-0.4 5,-0.2 0.896 113.8 51.9 -72.9 -41.0 10.9 -2.9 -19.2 98 98 A C H X S+ 0 0 38 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.969 114.7 42.3 -53.1 -55.1 13.3 -3.8 -16.3 99 99 A N H X S+ 0 0 79 -4,-3.4 4,-2.7 1,-0.2 -2,-0.2 0.880 107.7 58.3 -65.6 -42.9 16.3 -4.1 -18.7 100 100 A A H X S+ 0 0 51 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.915 112.4 41.1 -52.4 -45.1 15.6 -1.0 -20.8 101 101 A C H X S+ 0 0 29 -4,-1.6 4,-2.3 1,-0.2 5,-0.4 0.857 111.7 54.8 -78.0 -32.6 15.7 1.2 -17.7 102 102 A H H X S+ 0 0 48 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.906 102.9 59.2 -61.5 -39.2 18.7 -0.6 -16.2 103 103 A Q H < S+ 0 0 157 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.884 116.0 31.9 -58.1 -42.7 20.6 0.1 -19.5 104 104 A K H < S+ 0 0 122 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.825 137.1 13.9 -82.6 -30.5 20.2 3.9 -19.1 105 105 A Y H < 0 0 29 -4,-2.3 -58,-0.3 -5,-0.1 -3,-0.2 0.531 360.0 360.0-136.5 -11.3 20.2 4.4 -15.3 106 106 A R < 0 0 201 -4,-1.9 -4,-0.0 -5,-0.4 0, 0.0 -0.755 360.0 360.0 -87.3 360.0 21.4 1.4 -13.2 107 !* 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 86 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.4 -9.4 14.4 0.9 109 2 B D > - 0 0 93 1,-0.1 4,-1.6 41,-0.0 5,-0.2 -0.207 360.0-101.2 -74.5 171.0 -13.1 13.3 0.8 110 3 B L H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.927 119.9 53.7 -61.1 -46.4 -14.9 12.4 -2.3 111 4 B E H > S+ 0 0 162 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.902 109.6 48.5 -53.2 -49.0 -16.7 15.8 -2.7 112 5 B D H > S+ 0 0 82 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.756 110.0 51.2 -67.9 -30.9 -13.3 17.7 -2.5 113 6 B N H X S+ 0 0 12 -4,-1.6 4,-1.7 -3,-0.4 -1,-0.2 0.893 109.9 50.3 -67.2 -43.0 -11.6 15.4 -5.1 114 7 B M H X S+ 0 0 59 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.923 108.5 54.0 -56.5 -45.4 -14.5 16.0 -7.5 115 8 B E H X S+ 0 0 114 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.906 108.0 47.4 -58.7 -45.3 -14.2 19.7 -7.0 116 9 B T H X S+ 0 0 50 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.859 112.7 50.2 -69.1 -27.8 -10.5 19.8 -7.9 117 10 B L H X S+ 0 0 17 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.928 113.3 45.9 -67.7 -50.3 -11.2 17.7 -11.0 118 11 B N H X S+ 0 0 86 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.884 114.4 48.5 -59.5 -44.3 -14.1 20.1 -12.0 119 12 B D H X S+ 0 0 70 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.766 108.7 50.9 -68.2 -35.6 -11.9 23.3 -11.4 120 13 B N H X S+ 0 0 18 -4,-1.6 4,-1.0 -5,-0.2 -1,-0.2 0.756 103.1 60.2 -79.9 -19.1 -8.8 22.1 -13.3 121 14 B L H >X S+ 0 0 22 -4,-1.2 4,-1.7 2,-0.2 3,-0.6 0.945 107.8 45.9 -62.6 -49.0 -11.0 21.3 -16.4 122 15 B K H 3X S+ 0 0 108 -4,-1.2 4,-1.4 1,-0.2 3,-0.2 0.960 108.8 55.4 -61.8 -48.0 -12.0 25.0 -16.4 123 16 B V H 3< S+ 0 0 75 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.772 105.2 54.8 -51.7 -27.6 -8.4 26.1 -15.9 124 17 B I H X< S+ 0 0 4 -4,-1.0 3,-1.4 -3,-0.6 -1,-0.2 0.923 101.3 56.3 -76.9 -43.8 -7.4 24.0 -19.0 125 18 B E H 3< S+ 0 0 104 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.924 114.5 39.4 -44.6 -50.1 -9.9 25.7 -21.3 126 19 B K T 3< S+ 0 0 163 -4,-1.4 -1,-0.2 2,-0.0 -2,-0.2 0.228 87.0 124.3 -96.9 12.1 -8.4 29.1 -20.5 127 20 B A < - 0 0 14 -3,-1.4 3,-0.1 -5,-0.1 -3,-0.1 -0.354 42.2-163.5 -74.9 154.2 -4.7 28.3 -20.4 128 21 B D + 0 0 146 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.649 66.9 26.0-110.7 -20.1 -2.2 30.1 -22.6 129 22 B N S > S- 0 0 75 1,-0.1 4,-1.2 62,-0.1 3,-0.5 -0.867 78.3-103.7-139.5 174.7 0.9 27.8 -22.5 130 23 B A H > S+ 0 0 31 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.831 111.9 60.4 -68.8 -39.8 2.1 24.1 -22.0 131 24 B A H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.766 106.8 48.9 -60.2 -30.2 3.4 24.5 -18.4 132 25 B Q H > S+ 0 0 88 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.820 112.3 46.0 -78.7 -38.2 -0.1 25.6 -17.3 133 26 B V H X S+ 0 0 1 -4,-1.2 4,-2.7 2,-0.2 5,-0.3 0.958 114.4 49.9 -66.6 -47.9 -1.8 22.7 -19.0 134 27 B K H X S+ 0 0 73 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.960 109.8 50.6 -50.7 -59.4 0.8 20.3 -17.6 135 28 B D H X S+ 0 0 86 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.930 113.3 44.9 -45.7 -56.0 0.3 21.7 -14.0 136 29 B A H X S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.884 111.7 50.4 -64.8 -40.8 -3.5 21.3 -14.1 137 30 B L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.912 108.0 54.9 -62.0 -39.4 -3.4 17.8 -15.6 138 31 B T H X S+ 0 0 74 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.947 107.1 49.8 -56.6 -49.3 -1.0 16.7 -12.9 139 32 B K H X S+ 0 0 101 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.841 109.7 51.6 -57.2 -41.2 -3.4 17.9 -10.2 140 33 B M H X S+ 0 0 6 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.907 106.3 54.3 -62.0 -43.1 -6.3 16.0 -11.8 141 34 B A H X S+ 0 0 27 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.937 109.7 46.7 -59.5 -46.0 -4.2 12.7 -11.9 142 35 B A H X S+ 0 0 67 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.816 111.0 52.3 -65.5 -34.2 -3.4 13.0 -8.1 143 36 B A H X S+ 0 0 6 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.919 109.8 48.3 -67.7 -44.0 -7.1 13.7 -7.3 144 37 B A H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.910 111.2 50.5 -61.9 -41.7 -8.3 10.7 -9.3 145 38 B A H < S+ 0 0 59 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.864 111.9 47.9 -66.3 -37.3 -5.7 8.4 -7.5 146 39 B D H >< S+ 0 0 72 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.899 111.8 49.8 -70.4 -36.8 -6.8 9.7 -4.1 147 40 B A H >< S+ 0 0 0 -4,-2.4 3,-2.4 1,-0.2 -2,-0.2 0.772 88.1 86.0 -68.9 -31.8 -10.6 9.1 -5.0 148 41 B W T 3< S+ 0 0 118 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.777 90.4 47.0 -39.3 -38.9 -9.9 5.5 -6.2 149 42 B S T < S+ 0 0 92 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.378 89.7 106.8 -92.6 4.1 -10.3 4.1 -2.7 150 43 B A < - 0 0 28 -3,-2.4 -41,-0.0 -4,-0.1 -3,-0.0 -0.334 63.0-131.4 -80.5 162.1 -13.6 5.9 -1.5 151 44 B T - 0 0 82 -2,-0.1 -41,-0.1 5,-0.0 5,-0.1 -0.959 24.7-136.9-107.2 117.9 -17.1 4.5 -1.0 152 45 B P > - 0 0 5 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.365 19.6-115.0 -72.0 152.2 -19.8 6.6 -2.7 153 46 B P G > S+ 0 0 89 0, 0.0 3,-2.3 0, 0.0 4,-0.2 0.944 114.3 56.6 -50.4 -53.7 -23.1 7.3 -0.9 154 47 B K G 3 S+ 0 0 143 58,-0.4 3,-0.1 1,-0.3 59,-0.1 0.514 112.1 44.2 -59.0 -2.2 -25.3 5.4 -3.3 155 48 B L G X S+ 0 0 14 -3,-2.3 3,-2.2 1,-0.1 -1,-0.3 0.305 73.1 118.1-125.0 9.7 -23.1 2.3 -2.7 156 49 B E T < S+ 0 0 155 -3,-2.3 -2,-0.1 -4,-0.4 -1,-0.1 0.713 74.7 53.8 -47.4 -32.7 -22.8 2.4 1.2 157 50 B D T 3 S+ 0 0 143 -4,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.295 91.8 97.3 -91.8 9.4 -24.5 -1.0 1.6 158 51 B K S < S- 0 0 78 -3,-2.2 -3,-0.1 4,-0.1 0, 0.0 -0.639 76.1-108.2-102.2 156.6 -22.3 -3.0 -0.7 159 52 B S > - 0 0 73 -2,-0.2 3,-2.9 1,-0.1 6,-0.3 -0.574 26.0-121.5 -78.8 142.5 -19.2 -5.2 -0.1 160 53 B P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.661 117.0 52.0 -59.0 -14.6 -15.7 -3.9 -1.1 161 54 B D T 3 S+ 0 0 138 4,-0.1 -2,-0.0 5,-0.0 -3,-0.0 0.427 85.9 119.7 -96.5 -0.5 -15.5 -7.0 -3.3 162 55 B S S X> S- 0 0 12 -3,-2.9 4,-2.3 1,-0.1 3,-1.2 -0.423 74.3-119.5 -75.3 140.2 -18.8 -6.4 -5.0 163 56 B P H 3> S+ 0 0 100 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.637 113.7 57.0 -53.5 -22.2 -19.0 -5.8 -8.8 164 57 B E H 3> S+ 0 0 64 2,-0.2 4,-1.8 3,-0.1 5,-0.1 0.900 111.0 42.6 -72.6 -43.7 -20.4 -2.3 -8.4 165 58 B M H <> S+ 0 0 9 -3,-1.2 4,-2.5 -6,-0.3 5,-0.2 0.933 114.0 51.4 -64.7 -47.4 -17.3 -1.3 -6.3 166 59 B A H X S+ 0 0 46 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.886 113.4 45.3 -55.6 -40.7 -14.9 -3.1 -8.7 167 60 B D H X S+ 0 0 60 -4,-1.5 4,-1.1 -5,-0.2 -1,-0.2 0.830 110.8 53.3 -71.9 -36.3 -16.5 -1.2 -11.6 168 61 B F H X S+ 0 0 8 -4,-1.8 4,-0.7 2,-0.2 3,-0.2 0.902 110.3 47.6 -65.7 -45.8 -16.5 2.1 -9.7 169 62 B R H >X S+ 0 0 60 -4,-2.5 3,-1.6 1,-0.2 4,-1.0 0.955 107.8 55.5 -57.1 -54.0 -12.7 1.7 -9.0 170 63 B H H 3X S+ 0 0 68 -4,-2.0 4,-1.8 1,-0.3 -1,-0.2 0.708 96.5 64.6 -54.6 -30.5 -11.9 0.8 -12.6 171 64 B G H 3X S+ 0 0 23 -4,-1.1 4,-1.5 -3,-0.2 -1,-0.3 0.821 101.6 50.7 -65.2 -32.4 -13.5 4.0 -13.9 172 65 B F H < S+ 0 0 5 -4,-0.9 3,-0.8 2,-0.1 -1,-0.2 0.783 107.0 54.5 -80.8 -30.7 1.4 18.9 -23.9 187 80 B N H 3< S+ 0 0 118 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.1 0.749 102.0 58.1 -76.0 -21.1 5.0 17.8 -23.8 188 81 B a T 3< S- 0 0 97 -4,-0.9 -1,-0.2 2,-0.1 -2,-0.1 0.596 116.6-114.2 -74.4 -14.5 5.2 17.7 -27.6 189 82 B G S < S+ 0 0 51 -3,-0.8 2,-2.3 1,-0.2 3,-0.2 0.275 78.9 132.6 90.0 -9.9 4.3 21.5 -27.6 190 83 B K > + 0 0 101 -5,-0.5 4,-1.6 1,-0.2 -1,-0.2 -0.484 25.7 163.2 -73.6 74.8 1.0 20.5 -29.4 191 84 B V H > + 0 0 35 -2,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.837 62.4 53.9 -70.1 -39.1 -1.0 22.6 -26.9 192 85 B K H > S+ 0 0 157 2,-0.2 4,-1.1 -3,-0.2 -1,-0.2 0.819 108.6 47.6 -70.0 -37.2 -4.3 22.9 -28.8 193 86 B E H > S+ 0 0 95 2,-0.2 4,-2.7 -8,-0.2 3,-0.3 0.901 109.4 56.0 -63.5 -45.4 -4.8 19.1 -29.2 194 87 B A H X S+ 0 0 0 -4,-1.6 4,-2.1 -9,-0.3 -2,-0.2 0.929 106.6 50.4 -54.8 -46.4 -4.0 18.7 -25.5 195 88 B Q H X S+ 0 0 37 -4,-2.2 4,-0.8 1,-0.2 -1,-0.3 0.852 110.9 48.5 -62.5 -33.0 -6.8 21.1 -24.7 196 89 B A H X S+ 0 0 60 -4,-1.1 4,-1.9 -3,-0.3 3,-0.4 0.865 108.0 52.5 -74.8 -39.6 -9.2 19.2 -26.9 197 90 B A H X S+ 0 0 35 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.896 106.4 57.4 -60.8 -37.2 -8.3 15.8 -25.4 198 91 B A H < S+ 0 0 4 -4,-2.1 3,-0.4 -5,-0.2 -1,-0.2 0.825 104.5 49.4 -60.5 -34.4 -9.0 17.4 -22.0 199 92 B E H >< S+ 0 0 70 -4,-0.8 3,-1.9 -3,-0.4 -1,-0.2 0.921 103.1 61.2 -74.9 -44.0 -12.6 18.4 -23.0 200 93 B Q H >< S+ 0 0 148 -4,-1.9 3,-1.9 1,-0.3 4,-0.4 0.683 83.4 80.9 -46.8 -32.0 -13.3 14.8 -24.3 201 94 B L T >X S+ 0 0 4 -4,-0.8 4,-1.7 -3,-0.4 3,-0.8 0.686 71.2 81.9 -52.6 -23.5 -12.6 13.5 -20.6 202 95 B K H <> S+ 0 0 95 -3,-1.9 4,-3.2 1,-0.2 -1,-0.3 0.773 81.0 64.6 -51.7 -27.7 -16.2 14.6 -19.9 203 96 B C H <> S+ 0 0 94 -3,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.904 103.5 44.0 -66.6 -44.6 -17.3 11.2 -21.4 204 97 B T H <> S+ 0 0 26 -3,-0.8 4,-1.5 -4,-0.4 -1,-0.2 0.909 113.8 52.9 -67.4 -40.3 -15.6 9.3 -18.6 205 98 B C H X S+ 0 0 38 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.947 114.0 40.6 -54.7 -55.3 -17.0 11.7 -16.0 206 99 B N H X S+ 0 0 79 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.871 107.1 60.1 -68.8 -41.6 -20.6 11.3 -17.2 207 100 B A H X S+ 0 0 55 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.916 112.6 39.7 -55.0 -44.2 -20.6 7.6 -17.8 208 101 B C H X S+ 0 0 30 -4,-1.5 4,-2.3 2,-0.2 5,-0.5 0.845 112.4 56.6 -73.5 -34.2 -19.7 7.0 -14.1 209 102 B H H X S+ 0 0 50 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.918 102.3 57.3 -61.1 -39.4 -22.0 9.8 -12.9 210 103 B Q H < S+ 0 0 161 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.841 116.6 33.0 -57.5 -41.6 -24.9 8.0 -14.7 211 104 B K H < S+ 0 0 124 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.788 136.5 13.6 -84.1 -31.4 -24.4 4.8 -12.7 212 105 B Y H < 0 0 28 -4,-2.3 -58,-0.4 -5,-0.1 -3,-0.2 0.535 360.0 360.0-135.0 -14.6 -23.2 6.1 -9.3 213 106 B R < 0 0 207 -4,-1.7 0, 0.0 -5,-0.5 0, 0.0 -0.719 360.0 360.0 -80.7 360.0 -23.7 9.8 -8.7