==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-FEB-11 3QW1 . COMPND 2 MOLECULE: CYTOCHROME CB562; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.N.SALGADO,F.A.TEZCAN . 424 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20346.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 83.0 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 . 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 . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 1 0 1 0 0 1 3 3 0 0 0 3 0 0 4 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 82 0, 0.0 2,-0.2 0, 0.0 42,-0.0 0.000 360.0 360.0 360.0-166.9 -20.1 -5.5 5.0 2 2 A D > - 0 0 91 1,-0.2 4,-2.6 41,-0.0 3,-0.3 -0.498 360.0-126.9 -67.8 138.5 -21.1 -7.8 7.7 3 3 A L H > S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.892 114.7 56.1 -39.9 -45.1 -21.2 -6.1 11.1 4 4 A E H > S+ 0 0 118 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.905 107.5 45.5 -61.0 -44.5 -19.0 -9.0 12.1 5 5 A D H > S+ 0 0 61 -3,-0.3 4,-3.8 2,-0.2 5,-0.2 0.937 108.9 53.9 -67.1 -44.6 -16.4 -8.3 9.4 6 6 A N H X S+ 0 0 9 -4,-2.6 4,-3.0 1,-0.3 -1,-0.2 0.932 109.0 50.2 -56.1 -42.5 -16.3 -4.6 10.1 7 7 A M H X S+ 0 0 54 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.3 0.867 111.7 47.9 -63.0 -37.5 -15.6 -5.5 13.7 8 8 A E H X S+ 0 0 104 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.897 110.1 53.0 -69.0 -41.0 -12.8 -7.8 12.5 9 9 A T H X S+ 0 0 48 -4,-3.8 4,-1.7 2,-0.2 5,-0.2 0.931 112.6 44.2 -57.9 -45.6 -11.6 -5.0 10.3 10 10 A L H X S+ 0 0 12 -4,-3.0 4,-1.5 -5,-0.2 -2,-0.2 0.937 115.7 47.4 -65.2 -42.9 -11.4 -2.7 13.3 11 11 A N H X S+ 0 0 79 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.927 109.9 50.8 -64.6 -51.3 -9.9 -5.2 15.5 12 12 A D H X S+ 0 0 93 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.855 113.1 45.0 -58.9 -40.1 -7.2 -6.3 13.1 13 13 A N H X S+ 0 0 13 -4,-1.7 4,-2.5 -5,-0.3 -1,-0.2 0.790 102.4 66.4 -79.5 -23.8 -6.0 -2.8 12.3 14 14 A L H X S+ 0 0 13 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.2 0.929 106.0 42.1 -58.2 -45.5 -6.1 -1.9 15.9 15 15 A K H X S+ 0 0 118 -4,-1.3 4,-0.8 2,-0.2 -2,-0.2 0.914 108.6 59.3 -67.5 -42.6 -3.3 -4.4 16.4 16 16 A V H >X S+ 0 0 63 -4,-1.7 4,-1.1 1,-0.2 3,-1.0 0.935 109.6 45.3 -51.1 -44.4 -1.5 -3.2 13.2 17 17 A I H 3< S+ 0 0 2 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.869 108.7 55.3 -66.3 -37.2 -1.4 0.2 14.9 18 18 A E H 3< S+ 0 0 92 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.615 117.2 37.4 -65.0 -10.6 -0.2 -1.2 18.2 19 19 A K H << S+ 0 0 171 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.523 88.8 129.0-122.6 -20.9 2.6 -2.8 16.3 20 20 A A < - 0 0 15 -4,-1.1 3,-0.1 -3,-0.2 -3,-0.1 0.032 40.6-164.8 -52.6 148.0 3.5 -0.2 13.8 21 21 A D S S+ 0 0 141 1,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.684 70.4 14.5-103.0 -29.6 7.0 1.3 13.2 22 22 A N S > S- 0 0 75 1,-0.1 4,-1.1 62,-0.1 3,-0.1 -0.819 80.4 -93.4-143.0-179.3 6.1 4.4 11.2 23 23 A A H > S+ 0 0 16 -2,-0.2 4,-2.7 1,-0.2 3,-0.3 0.907 110.3 62.0 -66.3 -46.3 3.4 6.8 10.1 24 24 A A H > S+ 0 0 66 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.881 104.5 48.2 -53.7 -44.6 2.4 5.2 6.9 25 25 A Q H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.882 112.2 50.2 -63.6 -37.9 1.3 2.0 8.5 26 26 A V H X S+ 0 0 1 -4,-1.1 4,-2.8 -3,-0.3 5,-0.2 0.948 110.9 48.0 -66.2 -45.8 -0.7 3.9 11.0 27 27 A K H X S+ 0 0 64 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.927 112.2 48.0 -58.6 -51.1 -2.5 6.1 8.4 28 28 A D H X S+ 0 0 63 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.914 113.8 48.8 -57.5 -43.5 -3.4 3.1 6.2 29 29 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.2 3,-0.4 0.945 110.9 48.7 -62.7 -49.2 -4.7 1.3 9.2 30 30 A L H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.3 -1,-0.2 0.853 107.3 55.8 -58.9 -39.3 -6.8 4.2 10.5 31 31 A T H X S+ 0 0 15 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.3 0.880 107.4 49.8 -65.5 -36.3 -8.3 4.7 7.1 32 32 A K H X S+ 0 0 85 -4,-1.5 4,-2.2 -3,-0.4 -2,-0.2 0.909 108.3 51.8 -69.2 -48.9 -9.5 1.1 7.1 33 33 A M H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.897 107.0 54.6 -50.2 -41.8 -11.0 1.5 10.5 34 34 A A H X S+ 0 0 3 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.960 108.5 48.2 -58.8 -49.6 -12.8 4.6 9.2 35 35 A A H X S+ 0 0 46 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.916 114.9 45.3 -55.3 -47.0 -14.3 2.6 6.3 36 36 A A H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.931 113.1 48.9 -68.2 -45.1 -15.4 -0.2 8.6 37 37 A A H X S+ 0 0 0 -4,-2.7 4,-0.6 2,-0.2 -2,-0.2 0.932 115.5 44.0 -59.6 -46.3 -16.8 2.1 11.3 38 38 A A H >< S+ 0 0 4 -4,-2.8 3,-1.2 1,-0.2 4,-0.3 0.935 113.9 49.9 -64.1 -47.8 -18.8 4.1 8.7 39 39 A D H >< S+ 0 0 66 -4,-2.6 3,-0.6 -5,-0.3 -1,-0.2 0.788 107.0 56.5 -59.0 -32.8 -20.0 1.0 6.8 40 40 A A H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.2 -1,-0.3 0.650 80.3 94.4 -77.5 -14.9 -21.1 -0.5 10.2 41 41 A W T << S+ 0 0 7 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.1 0.774 87.0 43.4 -45.6 -37.5 -23.4 2.5 10.9 42 42 A S T < S+ 0 0 88 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.494 86.3 116.0 -94.3 -4.4 -26.5 0.9 9.5 43 43 A A < - 0 0 25 -3,-2.0 -41,-0.0 -4,-0.1 -3,-0.0 -0.378 57.5-142.4 -67.7 147.4 -26.1 -2.6 11.0 44 44 A T - 0 0 62 -2,-0.1 5,-0.1 17,-0.0 -41,-0.1 -0.956 24.6-130.6-109.9 114.9 -28.6 -3.9 13.4 45 45 A P > - 0 0 3 0, 0.0 3,-1.2 0, 0.0 4,-0.2 -0.121 17.4-112.2 -69.0 164.0 -26.9 -5.9 16.1 46 46 A P G > S+ 0 0 91 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.864 113.4 57.6 -71.1 -34.1 -28.1 -9.3 17.1 47 47 A K G 3 S+ 0 0 126 58,-0.5 4,-0.1 1,-0.2 3,-0.1 0.583 113.7 41.2 -68.1 -14.4 -29.2 -8.4 20.5 48 48 A L G < S+ 0 0 11 -3,-1.2 -1,-0.2 57,-0.1 10,-0.1 0.226 71.7 115.4-118.9 15.9 -31.5 -5.8 19.1 49 49 A E S < S+ 0 0 142 -3,-1.0 -2,-0.1 1,-0.3 -1,-0.1 0.814 82.9 48.4 -62.3 -33.3 -33.1 -7.3 16.0 50 50 A D S S+ 0 0 138 -4,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.949 94.6 85.0 -67.0 -42.0 -36.5 -7.2 17.5 51 51 A K S S- 0 0 107 -4,-0.1 4,-0.1 1,-0.1 -3,-0.0 -0.292 91.5-102.0 -76.1 121.6 -36.2 -3.6 18.6 52 52 A S > - 0 0 57 1,-0.1 3,-2.3 -2,-0.1 6,-0.3 -0.009 23.5-114.3 -41.8 153.6 -37.1 -1.0 15.9 53 53 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.762 119.4 45.7 -60.9 -19.2 -34.5 1.0 13.8 54 54 A D T 3 S+ 0 0 86 4,-0.1 -2,-0.1 5,-0.0 -3,-0.0 0.326 90.4 121.1 -98.9 6.5 -35.7 4.2 15.5 55 55 A S S <> S- 0 0 5 -3,-2.3 4,-1.4 -4,-0.1 5,-0.1 0.057 78.2-105.4 -65.8 168.1 -35.8 2.8 19.0 56 56 A P H > S+ 0 0 91 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.790 117.6 49.9 -65.2 -39.7 -33.9 4.2 21.8 57 57 A E H > S+ 0 0 67 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.884 108.6 53.9 -67.8 -38.7 -31.2 1.4 21.9 58 58 A M H > S+ 0 0 2 -6,-0.3 4,-2.4 2,-0.2 5,-0.3 0.954 108.2 48.3 -61.8 -41.2 -30.7 1.8 18.3 59 59 A H H X S+ 0 0 47 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.971 115.6 44.4 -62.5 -44.2 -30.1 5.4 18.7 60 60 A D H X S+ 0 0 11 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.863 110.7 55.4 -64.5 -33.0 -27.7 4.7 21.5 61 61 A F H >X S+ 0 0 8 -4,-3.4 3,-0.7 1,-0.2 4,-0.6 0.974 112.7 42.4 -58.0 -55.4 -26.1 1.9 19.5 62 62 A R H >X S+ 0 0 21 -4,-2.4 4,-1.3 1,-0.2 3,-0.6 0.772 104.0 64.8 -60.9 -36.9 -25.5 4.4 16.6 63 63 A H H 3X S+ 0 0 19 -4,-2.4 4,-1.4 -5,-0.3 3,-0.3 0.886 95.2 60.5 -53.1 -39.1 -24.3 7.1 18.9 64 64 A G H S+ 0 0 8 -4,-2.2 5,-2.1 1,-0.2 -2,-0.2 0.857 111.9 49.2 -64.5 -36.2 -2.0 13.0 14.4 79 79 A A H ><5S+ 0 0 0 -4,-2.5 3,-2.5 -5,-0.2 -1,-0.2 0.946 108.6 51.9 -66.6 -42.9 -0.7 10.4 12.2 80 80 A N H 3<5S+ 0 0 44 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.778 104.1 57.7 -64.9 -26.9 -0.7 12.7 9.3 81 81 A E T 3<5S- 0 0 37 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.250 117.7-118.0 -81.9 11.0 1.2 15.1 11.5 82 82 A C T < 5S+ 0 0 94 -3,-2.5 2,-1.7 1,-0.2 -3,-0.2 0.621 73.3 137.8 57.4 16.5 3.8 12.2 11.8 83 83 A K >< + 0 0 55 -5,-2.1 4,-2.0 -6,-0.2 -1,-0.2 -0.576 23.4 164.8 -85.9 70.7 3.1 12.2 15.6 84 84 A V H > + 0 0 28 -2,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.837 64.6 49.6 -63.9 -41.8 3.0 8.5 15.7 85 85 A K H > S+ 0 0 171 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.868 113.1 49.1 -66.2 -40.5 3.3 7.8 19.3 86 86 A E H > S+ 0 0 41 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.790 110.1 50.4 -66.4 -39.0 0.5 10.2 20.0 87 87 A A H X S+ 0 0 2 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.922 109.2 52.9 -63.4 -46.3 -1.6 8.6 17.3 88 88 A Q H X S+ 0 0 45 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.722 109.4 48.1 -63.1 -30.9 -0.9 5.2 18.8 89 89 A A H X S+ 0 0 44 -4,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.816 107.3 55.0 -73.6 -38.8 -2.1 6.5 22.2 90 90 A A H X S+ 0 0 18 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.813 108.7 51.6 -64.1 -29.6 -5.3 8.0 20.7 91 91 A A H >X S+ 0 0 5 -4,-1.7 4,-1.1 2,-0.2 3,-0.6 0.948 107.5 50.1 -70.4 -49.3 -5.9 4.5 19.4 92 92 A E H 3< S+ 0 0 89 -4,-1.3 3,-0.4 1,-0.2 4,-0.3 0.857 108.3 54.0 -58.6 -35.9 -5.4 2.9 22.7 93 93 A Q H >< S+ 0 0 43 -4,-2.2 3,-1.5 1,-0.2 4,-0.4 0.858 98.4 64.4 -64.2 -30.9 -7.8 5.4 24.2 94 94 A L H XX S+ 0 0 2 -4,-1.1 3,-2.2 -3,-0.6 4,-1.1 0.857 79.7 82.0 -62.7 -37.1 -10.4 4.5 21.7 95 95 A K H 3X S+ 0 0 57 -4,-1.1 4,-2.1 -3,-0.4 -1,-0.3 0.756 81.3 64.7 -44.6 -28.6 -10.6 1.0 23.1 96 96 A T H <> S+ 0 0 46 -3,-1.5 4,-2.7 -4,-0.3 -1,-0.3 0.930 100.1 51.5 -60.0 -45.4 -13.0 2.3 25.7 97 97 A T H <> S+ 0 0 10 -3,-2.2 4,-2.0 -4,-0.4 5,-0.3 0.931 109.2 49.6 -58.1 -51.2 -15.5 3.1 23.0 98 98 A C H X S+ 0 0 31 -4,-1.1 4,-1.4 1,-0.2 -1,-0.3 0.894 115.7 45.1 -48.0 -42.1 -15.2 -0.4 21.7 99 99 A N H X S+ 0 0 89 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.813 107.0 55.0 -83.0 -31.9 -15.7 -1.7 25.2 100 100 A A H X S+ 0 0 19 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.884 114.4 42.4 -64.7 -40.2 -18.6 0.6 26.3 101 101 A C H X S+ 0 0 27 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.796 113.7 51.9 -79.6 -29.8 -20.6 -0.6 23.3 102 102 A H H X S+ 0 0 56 -4,-1.4 4,-1.2 -5,-0.3 -2,-0.2 0.957 107.3 51.7 -70.1 -51.1 -19.6 -4.3 23.7 103 103 A Q H < S+ 0 0 174 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.866 120.7 36.3 -45.5 -42.0 -20.6 -4.4 27.4 104 104 A K H < S+ 0 0 82 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.854 129.0 20.6 -90.1 -45.3 -24.0 -3.0 26.4 105 105 A Y H < 0 0 25 -4,-2.5 -58,-0.5 -5,-0.1 -57,-0.1 0.144 360.0 360.0-117.5 20.7 -25.2 -4.4 23.1 106 106 A R < 0 0 217 -4,-1.2 -4,-0.1 -60,-0.1 -3,-0.0 -0.372 360.0 360.0-128.2 360.0 -23.1 -7.5 22.8 107 !* 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 76 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.5 -8.0 30.2 38.2 109 2 B D >> - 0 0 117 1,-0.1 4,-1.9 41,-0.0 3,-0.6 -0.456 360.0 -97.9 -86.7 162.7 -4.5 28.9 38.1 110 3 B L H 3> S+ 0 0 32 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.767 125.9 55.9 -48.5 -34.9 -4.0 25.5 36.4 111 4 B E H 3> S+ 0 0 152 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.935 106.9 47.2 -65.8 -44.4 -4.1 24.0 39.8 112 5 B D H <> S+ 0 0 70 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.846 112.7 48.7 -66.5 -39.1 -7.5 25.4 40.7 113 6 B N H X S+ 0 0 8 -4,-1.9 4,-3.2 2,-0.2 -1,-0.2 0.890 109.3 53.5 -66.1 -41.2 -9.1 24.4 37.5 114 7 B M H X S+ 0 0 55 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.874 110.7 47.0 -61.7 -38.3 -7.6 20.9 37.9 115 8 B E H X S+ 0 0 125 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.930 110.6 51.9 -67.6 -44.6 -9.2 20.7 41.3 116 9 B T H X S+ 0 0 51 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.949 113.4 45.7 -54.0 -47.1 -12.5 22.0 39.8 117 10 B L H X S+ 0 0 14 -4,-3.2 4,-1.4 1,-0.2 -2,-0.2 0.919 115.1 46.8 -62.4 -41.4 -12.2 19.2 37.2 118 11 B N H X S+ 0 0 80 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.857 112.5 47.2 -73.2 -37.8 -11.4 16.6 39.7 119 12 B D H >X S+ 0 0 80 -4,-2.9 4,-2.0 1,-0.2 3,-0.6 0.927 110.9 50.9 -73.3 -46.1 -14.0 17.4 42.2 120 13 B N H 3X S+ 0 0 12 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.791 103.6 61.1 -62.7 -27.4 -16.8 17.7 39.6 121 14 B L H 3X S+ 0 0 14 -4,-1.4 4,-2.1 -5,-0.2 -1,-0.2 0.835 106.2 44.1 -70.7 -35.1 -15.8 14.3 38.3 122 15 B K H < S+ 0 0 3 -4,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.985 110.6 56.9 -68.4 -46.9 -20.7 13.1 38.6 125 18 B E H 3< S+ 0 0 116 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.757 113.8 35.4 -45.8 -42.7 -19.5 9.8 39.9 126 19 B K H 3< S+ 0 0 170 -4,-2.3 -1,-0.3 2,-0.0 -2,-0.2 0.446 91.9 130.8 -93.2 -5.4 -21.8 9.8 42.9 127 20 B A << - 0 0 14 -3,-1.7 3,-0.1 -4,-0.8 -3,-0.1 -0.016 36.5-173.8 -58.4 161.5 -24.8 11.6 41.2 128 21 B D + 0 0 140 1,-0.2 2,-0.3 0, 0.0 -1,-0.1 0.622 66.6 33.9-125.2 -29.3 -28.3 10.3 41.3 129 22 B N S > S- 0 0 71 1,-0.1 4,-1.3 62,-0.1 3,-0.5 -0.922 79.0-109.1-135.1 160.5 -30.1 12.7 38.9 130 23 B A H > S+ 0 0 18 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.884 110.1 62.0 -54.9 -48.0 -29.5 14.6 35.7 131 24 B A H > S+ 0 0 58 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.885 103.2 49.3 -49.0 -48.3 -29.5 18.0 37.3 132 25 B Q H > S+ 0 0 79 -3,-0.5 4,-2.1 1,-0.2 -1,-0.3 0.926 112.1 50.1 -64.2 -34.3 -26.4 17.2 39.4 133 26 B V H X S+ 0 0 1 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.937 111.5 46.4 -70.1 -43.1 -24.6 15.9 36.3 134 27 B K H X S+ 0 0 71 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.947 111.4 49.8 -65.3 -47.5 -25.3 18.9 34.2 135 28 B D H X S+ 0 0 69 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.914 114.0 48.1 -56.8 -42.9 -24.3 21.4 36.8 136 29 B A H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.860 110.8 48.5 -64.6 -42.0 -21.1 19.5 37.3 137 30 B L H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.895 107.3 56.8 -68.8 -36.9 -20.2 19.2 33.6 138 31 B T H X S+ 0 0 21 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.879 107.2 49.3 -62.0 -39.2 -20.9 22.9 33.1 139 32 B K H X S+ 0 0 98 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.885 108.3 52.3 -64.8 -39.4 -18.3 23.6 35.8 140 33 B M H X S+ 0 0 1 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.903 107.0 54.8 -64.0 -37.1 -15.9 21.3 34.1 141 34 B A H X S+ 0 0 3 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.962 108.3 46.9 -58.5 -54.1 -16.4 23.2 31.0 142 35 B A H X S+ 0 0 48 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.920 115.1 46.8 -55.7 -44.3 -15.6 26.5 32.6 143 36 B A H X S+ 0 0 3 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.891 112.8 48.2 -71.2 -38.1 -12.5 25.0 34.2 144 37 B A H X S+ 0 0 0 -4,-3.0 4,-0.7 2,-0.2 3,-0.3 0.956 115.7 44.0 -64.6 -47.5 -11.3 23.3 31.0 145 38 B A H >< S+ 0 0 3 -4,-2.9 3,-1.0 1,-0.2 4,-0.3 0.918 112.9 51.2 -63.9 -43.6 -11.8 26.5 28.9 146 39 B D H >< S+ 0 0 60 -4,-2.6 3,-0.6 -5,-0.3 -1,-0.2 0.781 106.5 56.1 -64.5 -26.3 -10.2 28.7 31.5 147 40 B A H >< S+ 0 0 0 -4,-1.4 3,-2.1 -3,-0.3 -1,-0.2 0.667 81.0 94.2 -76.4 -16.3 -7.2 26.4 31.7 148 41 B W T << S+ 0 0 8 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.1 0.746 87.6 43.9 -47.5 -33.1 -6.6 26.8 27.9 149 42 B S T < S+ 0 0 86 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.572 87.6 110.9 -93.8 -13.4 -4.2 29.5 28.4 150 43 B A < - 0 0 22 -3,-2.1 -41,-0.0 -4,-0.1 -3,-0.0 -0.283 58.1-141.1 -68.3 147.4 -2.1 28.1 31.3 151 44 B T - 0 0 61 -2,-0.0 -41,-0.2 5,-0.0 5,-0.1 -0.879 22.6-128.3-103.6 138.1 1.5 27.0 30.9 152 45 B P - 0 0 5 0, 0.0 3,-0.5 0, 0.0 61,-0.1 -0.334 20.6-114.3 -78.6 174.2 2.3 23.9 32.8 153 46 B P S > S+ 0 0 101 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.845 112.4 58.5 -85.5 -29.3 5.4 24.0 35.0 154 47 B K T 3 S+ 0 0 137 58,-0.5 3,-0.1 1,-0.3 4,-0.1 0.486 110.3 48.1 -72.6 -3.2 7.5 21.5 33.2 155 48 B L T 3 S+ 0 0 8 -3,-0.5 -1,-0.3 57,-0.1 3,-0.2 0.054 73.1 128.9-117.3 24.8 7.1 23.8 30.2 156 49 B E S < S+ 0 0 162 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.844 80.7 32.8 -55.7 -38.0 8.0 26.9 32.2 157 50 B D S S+ 0 0 126 -4,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.798 91.5 101.8 -79.0 -38.7 10.6 27.9 29.6 158 51 B K S S- 0 0 98 -3,-0.2 4,-0.1 1,-0.1 -3,-0.0 -0.302 79.8-109.6 -64.9 125.4 9.2 26.7 26.4 159 52 B S > - 0 0 75 1,-0.2 3,-2.7 2,-0.1 2,-2.3 -0.213 23.9-114.4 -62.9 146.6 7.6 29.5 24.3 160 53 B P T 3 S+ 0 0 71 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.196 116.8 50.6 -81.3 49.8 3.8 29.4 24.0 161 54 B D T 3 S+ 0 0 77 -2,-2.3 -2,-0.1 84,-0.0 84,-0.0 -0.056 79.9 120.0-154.5 16.3 4.1 28.7 20.3 162 55 B S S <> S- 0 0 25 -3,-2.7 4,-1.0 1,-0.1 5,-0.1 -0.306 78.7-120.0 -68.4 171.7 6.5 25.9 20.7 163 56 B P H > S+ 0 0 87 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.742 116.9 67.9 -86.7 -13.5 5.0 22.8 19.2 164 57 B E H > S+ 0 0 78 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.885 100.7 44.6 -65.9 -37.0 5.4 21.6 22.7 165 58 B M H > S+ 0 0 0 -6,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.822 108.4 59.1 -66.9 -36.2 2.7 24.1 23.8 166 59 B H H X S+ 0 0 37 -4,-1.0 4,-2.1 1,-0.2 -2,-0.2 0.932 107.0 46.0 -62.3 -42.6 0.6 23.1 20.9 167 60 B D H X S+ 0 0 9 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.752 107.9 56.7 -65.9 -35.1 0.4 19.6 22.1 168 61 B F H >< S+ 0 0 7 -4,-1.1 3,-0.5 -5,-0.2 4,-0.4 0.953 112.5 41.0 -63.4 -45.5 -0.3 20.5 25.6 169 62 B R H >X S+ 0 0 20 -4,-2.1 3,-2.5 1,-0.2 4,-1.1 0.870 99.5 72.0 -70.1 -36.4 -3.4 22.4 24.6 170 63 B H H >X S+ 0 0 22 -4,-2.1 4,-1.4 1,-0.3 3,-0.6 0.853 93.2 59.7 -42.0 -42.3 -4.5 19.8 22.0 171 64 B G H S+ 0 0 11 -3,-2.5 4,-2.9 -4,-0.4 -1,-0.3 0.821 101.7 57.2 -78.8 -28.6 -7.8 20.4 26.2 173 66 B W H S+ 0 0 7 -4,-2.6 5,-2.2 1,-0.2 -2,-0.2 0.900 113.5 46.5 -57.6 -40.8 -26.2 13.1 27.0 186 79 B A H ><5S+ 0 0 1 -4,-1.9 3,-2.7 1,-0.2 -1,-0.2 0.938 108.6 53.8 -68.5 -48.0 -27.1 14.6 30.3 187 80 B N H 3<5S+ 0 0 61 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.720 105.2 56.2 -57.7 -22.8 -29.5 17.2 28.8 188 81 B E T 3<5S- 0 0 34 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.266 117.1-118.5 -86.9 11.1 -31.2 14.2 27.1 189 82 B C T < 5S+ 0 0 98 -3,-2.7 2,-1.5 1,-0.2 -3,-0.2 0.657 72.3 138.8 56.2 15.7 -31.7 12.7 30.7 190 83 B K >< + 0 0 47 -5,-2.2 4,-1.5 -6,-0.2 -1,-0.2 -0.646 23.7 166.3 -86.1 74.7 -29.5 9.8 29.6 191 84 B V H > + 0 0 32 -2,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.847 65.3 47.2 -63.1 -46.1 -27.7 9.8 32.9 192 85 B K H > S+ 0 0 175 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.851 114.3 50.7 -64.8 -38.3 -25.9 6.4 32.9 193 86 B E H > S+ 0 0 47 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.843 110.7 48.6 -65.1 -39.8 -24.6 7.2 29.4 194 87 B A H X S+ 0 0 1 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.931 110.8 51.0 -64.1 -46.9 -23.4 10.6 30.6 195 88 B Q H X S+ 0 0 50 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.878 109.9 48.9 -62.4 -39.8 -21.7 9.1 33.5 196 89 B A H X S+ 0 0 39 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.907 105.9 57.4 -65.8 -42.1 -20.0 6.5 31.3 197 90 B A H X S+ 0 0 15 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.819 107.0 50.8 -58.9 -35.4 -18.8 9.3 28.9 198 91 B A H X S+ 0 0 4 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.885 108.0 50.3 -67.1 -33.9 -17.2 11.0 31.9 199 92 B E H >< S+ 0 0 109 -4,-1.3 3,-1.8 1,-0.2 4,-0.3 0.995 111.5 48.6 -72.5 -45.4 -15.4 7.9 33.0 200 93 B Q H >< S+ 0 0 38 -4,-2.7 3,-1.4 1,-0.3 4,-0.3 0.769 101.2 64.2 -58.3 -37.3 -14.0 7.4 29.5 201 94 B L H >X S+ 0 0 0 -4,-1.3 3,-1.2 1,-0.3 4,-0.8 0.619 82.8 78.8 -70.3 -11.8 -12.9 10.9 29.2 202 95 B K H S+ 0 0 38 -3,-1.4 4,-2.6 -4,-0.3 -1,-0.3 0.875 96.8 52.1 -49.5 -35.9 -8.1 8.7 29.6 204 97 B T H <> S+ 0 0 11 -3,-1.2 4,-1.9 -4,-0.3 -1,-0.3 0.942 109.6 45.8 -67.6 -48.5 -7.6 12.3 28.4 205 98 B C H X S+ 0 0 34 -4,-0.8 4,-1.5 1,-0.2 -2,-0.2 0.896 116.5 48.0 -50.9 -51.1 -6.8 13.5 32.0 206 99 B N H X S+ 0 0 92 -4,-3.6 4,-1.7 2,-0.2 -2,-0.2 0.789 109.2 51.5 -65.4 -39.7 -4.5 10.5 32.2 207 100 B A H X S+ 0 0 28 -4,-2.6 4,-1.0 -5,-0.3 -1,-0.2 0.871 112.6 43.7 -64.8 -42.6 -2.7 11.0 29.0 208 101 B C H X S+ 0 0 29 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.765 111.9 54.3 -76.2 -28.7 -1.9 14.6 29.6 209 102 B H H X S+ 0 0 64 -4,-1.5 4,-1.4 -5,-0.2 -2,-0.2 0.962 106.2 53.5 -69.5 -41.9 -0.8 13.9 33.2 210 103 B Q H < S+ 0 0 160 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.745 118.3 33.5 -59.6 -39.0 1.6 11.3 32.0 211 104 B K H < S+ 0 0 97 -4,-1.0 -1,-0.2 1,-0.1 -2,-0.2 0.834 128.2 28.5 -85.9 -43.4 3.3 13.5 29.6 212 105 B Y H < 0 0 22 -4,-2.2 -58,-0.5 -5,-0.1 -2,-0.2 0.234 360.0 360.0-109.0 10.7 3.3 16.9 31.1 213 106 B R < 0 0 210 -4,-1.4 -4,-0.0 -60,-0.1 0, 0.0 -0.546 360.0 360.0-118.0 360.0 3.3 16.4 34.7 214 !* 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 99 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.3 -9.6 39.3 28.6 216 2 C D > - 0 0 71 1,-0.1 4,-2.6 41,-0.0 5,-0.3 -0.301 360.0-132.2 -69.1 144.9 -12.6 41.2 27.3 217 3 C L H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.931 114.1 48.6 -61.8 -40.9 -15.4 39.7 25.2 218 4 C E H > S+ 0 0 136 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 111.1 48.9 -58.3 -46.4 -15.0 42.6 22.9 219 5 C D H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.858 110.9 49.6 -69.6 -33.1 -11.3 42.2 22.8 220 6 C N H X S+ 0 0 11 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.909 109.1 53.2 -66.8 -42.2 -11.5 38.4 22.0 221 7 C M H X S+ 0 0 57 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.891 109.9 48.1 -61.5 -38.7 -14.0 39.2 19.3 222 8 C E H X S+ 0 0 107 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.904 110.1 52.0 -65.1 -42.6 -11.5 41.5 17.9 223 9 C T H X S+ 0 0 49 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.842 110.0 49.1 -63.9 -36.2 -8.9 38.9 18.2 224 10 C L H X S+ 0 0 15 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.892 115.0 43.7 -68.0 -44.4 -11.0 36.4 16.4 225 11 C N H X S+ 0 0 72 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.893 110.1 53.2 -67.5 -41.1 -11.8 38.7 13.6 226 12 C D H X S+ 0 0 89 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.873 114.4 43.3 -62.7 -41.2 -8.3 40.1 13.2 227 13 C N H X S+ 0 0 14 -4,-1.3 4,-1.9 -5,-0.2 -1,-0.2 0.756 105.5 62.8 -74.0 -31.6 -6.9 36.7 12.8 228 14 C L H X S+ 0 0 10 -4,-1.4 4,-1.1 1,-0.2 -2,-0.2 0.847 107.2 44.8 -62.1 -41.3 -9.7 35.6 10.6 229 15 C K H X S+ 0 0 106 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.835 105.0 60.5 -69.1 -37.2 -8.6 38.1 8.2 230 16 C V H < S+ 0 0 61 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.875 106.1 49.2 -61.5 -35.5 -5.0 37.2 8.5 231 17 C I H >< S+ 0 0 2 -4,-1.9 3,-1.4 1,-0.2 -1,-0.3 0.881 104.9 59.0 -66.1 -37.7 -5.9 33.8 7.4 232 18 C E H 3< S+ 0 0 82 -4,-1.1 -2,-0.2 1,-0.3 -1,-0.2 0.922 111.9 39.5 -62.0 -36.6 -7.8 35.3 4.5 233 19 C K T 3< S+ 0 0 178 -4,-1.9 -1,-0.3 0, 0.0 -2,-0.2 0.222 90.0 141.8 -97.6 20.6 -4.6 37.0 3.3 234 20 C A < + 0 0 17 -3,-1.4 3,-0.1 1,-0.1 -3,-0.1 -0.200 32.9 179.9 -68.2 141.9 -2.2 34.1 4.0 235 21 C D S S+ 0 0 125 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.753 71.3 21.2-101.6 -43.2 0.6 33.0 1.9 236 22 C N S >> S- 0 0 78 1,-0.1 4,-1.1 62,-0.0 3,-0.5 -0.765 75.8-107.3-132.8 171.7 1.8 30.2 4.0 237 23 C A H 3> S+ 0 0 13 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.802 111.4 63.1 -61.7 -35.0 0.8 27.7 6.7 238 24 C A H 3> S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.897 101.5 49.4 -63.7 -38.3 2.8 29.4 9.3 239 25 C Q H <> S+ 0 0 65 -3,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.868 114.8 48.7 -62.9 -33.6 0.8 32.5 9.1 240 26 C V H X S+ 0 0 1 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.926 109.7 48.7 -74.1 -43.9 -2.3 30.3 9.4 241 27 C K H X S+ 0 0 75 -4,-3.1 4,-1.8 2,-0.2 5,-0.2 0.946 112.6 47.6 -62.7 -46.1 -1.1 28.2 12.3 242 28 C D H X S+ 0 0 58 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.948 112.8 49.3 -62.5 -44.1 -0.2 31.2 14.3 243 29 C A H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.900 110.5 48.8 -61.0 -46.5 -3.4 32.9 13.6 244 30 C L H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.808 105.6 58.5 -63.9 -35.6 -5.6 29.9 14.5 245 31 C T H X S+ 0 0 11 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.841 107.4 47.2 -63.3 -39.3 -3.8 29.4 17.7 246 32 C K H X S+ 0 0 92 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.874 107.8 54.3 -64.9 -43.4 -4.7 32.8 18.8 247 33 C M H X S+ 0 0 4 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.904 107.7 53.2 -56.8 -36.4 -8.3 32.4 17.7 248 34 C A H X S+ 0 0 2 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.961 108.9 47.1 -62.4 -52.0 -8.2 29.3 20.0 249 35 C A H X S+ 0 0 44 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.902 115.4 46.3 -55.8 -44.7 -7.0 31.3 22.9 250 36 C A H X S+ 0 0 3 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.908 112.9 48.7 -67.4 -40.0 -9.6 34.1 22.3 251 37 C A H < S+ 0 0 0 -4,-2.8 3,-0.3 -5,-0.2 4,-0.3 0.941 115.0 44.2 -67.8 -44.9 -12.4 31.6 21.9 252 38 C A H >< S+ 0 0 3 -4,-2.9 3,-1.5 1,-0.2 4,-0.3 0.909 111.6 53.5 -63.1 -41.6 -11.5 29.7 25.0 253 39 C D H >< S+ 0 0 52 -4,-2.4 3,-0.5 -5,-0.3 -1,-0.2 0.785 106.9 52.7 -68.4 -23.2 -11.0 32.9 27.0 254 40 C A G >< S+ 0 0 1 -4,-1.4 3,-0.6 -3,-0.3 -1,-0.3 0.473 78.8 95.9 -91.2 2.2 -14.4 34.1 26.0 255 41 C W G < S+ 0 0 9 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.869 88.5 46.6 -59.2 -38.1 -16.1 30.9 27.2 256 42 C S G < S+ 0 0 84 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.1 0.708 86.9 111.4 -65.6 -36.2 -16.8 32.8 30.5 257 43 C A < - 0 0 22 -3,-0.6 -41,-0.0 -4,-0.2 -3,-0.0 -0.067 56.4-144.6 -60.9 144.4 -18.1 36.1 29.3 258 44 C T - 0 0 66 5,-0.0 -41,-0.1 2,-0.0 5,-0.1 -0.966 24.4-132.9-103.7 121.8 -21.7 37.2 29.6 259 45 C P > - 0 0 5 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.402 22.4-108.4 -71.0 151.1 -22.8 39.3 26.6 260 46 C P G > S+ 0 0 88 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.890 116.1 54.9 -46.7 -50.8 -24.6 42.6 27.1 261 47 C K G 3 S+ 0 0 147 58,-0.4 59,-0.1 1,-0.3 3,-0.0 0.567 114.6 42.7 -66.0 -5.3 -28.0 41.4 25.9 262 48 C L G X S+ 0 0 8 -3,-2.2 3,-1.7 57,-0.1 -1,-0.3 0.368 74.7 106.5-121.4 5.0 -27.9 38.6 28.5 263 49 C E T < S+ 0 0 125 -3,-1.6 -2,-0.1 -4,-0.5 -1,-0.1 0.766 82.5 54.2 -60.6 -27.1 -26.5 40.1 31.7 264 50 C D T 3 S+ 0 0 150 -4,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.723 95.9 85.5 -80.2 -16.7 -29.8 40.0 33.3 265 51 C K S < S- 0 0 88 -3,-1.7 -3,-0.1 1,-0.1 4,-0.0 -0.703 88.4-107.6 -91.3 135.0 -30.1 36.4 32.5 266 52 C S > - 0 0 75 -2,-0.4 3,-2.2 1,-0.1 6,-0.4 -0.169 22.3-119.7 -62.1 149.3 -28.6 33.8 34.8 267 53 C P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.897 116.9 51.8 -58.4 -37.4 -25.5 32.1 33.8 268 54 C D T 3 S+ 0 0 92 4,-0.1 -2,-0.1 3,-0.1 -130,-0.0 0.255 86.1 126.6 -89.2 6.1 -27.5 28.8 34.1 269 55 C S S X> S- 0 0 14 -3,-2.2 4,-2.2 1,-0.1 3,-0.6 -0.270 76.5-113.4 -63.1 153.8 -30.2 30.2 31.9 270 56 C P H 3> S+ 0 0 96 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.725 118.1 50.8 -63.8 -17.9 -31.3 28.3 28.9 271 57 C E H 3> S+ 0 0 76 2,-0.2 4,-1.6 -5,-0.2 -3,-0.1 0.711 104.3 50.7 -99.7 -26.4 -29.9 31.1 26.9 272 58 C M H <> S+ 0 0 0 -3,-0.6 4,-1.8 -6,-0.4 5,-0.2 0.802 108.2 58.8 -76.7 -15.9 -26.5 31.3 28.4 273 59 C H H X S+ 0 0 70 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.888 110.8 40.7 -72.6 -42.0 -26.4 27.5 27.7 274 60 C D H X S+ 0 0 15 -4,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.868 110.9 57.4 -71.1 -36.2 -26.9 28.2 24.0 275 61 C F H X S+ 0 0 8 -4,-1.6 4,-0.5 1,-0.2 -2,-0.2 0.900 112.4 41.6 -60.4 -39.6 -24.6 31.2 24.1 276 62 C R H >X S+ 0 0 25 -4,-1.8 3,-1.3 1,-0.2 4,-1.2 0.895 104.3 64.8 -74.4 -39.5 -21.9 28.9 25.3 277 63 C H H >X S+ 0 0 18 -4,-1.9 4,-1.8 1,-0.3 3,-0.8 0.867 96.6 59.0 -44.8 -42.4 -22.8 26.1 23.0 278 64 C G H 3X S+ 0 0 16 -4,-1.5 4,-1.9 1,-0.3 -1,-0.3 0.796 101.9 55.5 -61.0 -34.5 -21.8 28.3 20.1 279 65 C F H S+ 0 0 9 -4,-1.9 5,-2.3 1,-0.2 3,-0.4 0.908 113.4 46.5 -56.2 -44.1 -5.4 21.0 8.3 293 79 C A H ><5S+ 0 0 0 -4,-2.8 3,-2.6 1,-0.2 -1,-0.2 0.950 109.1 53.5 -62.3 -49.8 -2.8 23.7 8.7 294 80 C N H 3<5S+ 0 0 49 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.678 104.8 56.8 -59.1 -19.9 -0.4 21.5 10.6 295 81 C E T 3<5S- 0 0 36 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.164 117.4-118.5 -92.7 16.3 -0.8 19.1 7.6 296 82 C C T < 5S+ 0 0 95 -3,-2.6 2,-1.7 1,-0.2 -3,-0.2 0.652 71.3 141.0 47.6 21.8 0.4 22.0 5.4 297 83 C K >< + 0 0 48 -5,-2.3 4,-1.7 -6,-0.2 -1,-0.2 -0.681 23.4 165.9 -86.1 71.1 -3.0 21.7 3.7 298 84 C V H > + 0 0 32 -2,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.844 64.7 44.3 -63.7 -45.1 -3.2 25.5 3.5 299 85 C K H > S+ 0 0 176 2,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.831 115.7 52.9 -71.1 -31.5 -6.0 26.3 1.0 300 86 C E H > S+ 0 0 39 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.889 107.0 48.8 -68.8 -41.4 -8.0 23.7 2.8 301 87 C A H X S+ 0 0 2 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.877 109.2 55.9 -58.1 -43.2 -7.4 25.2 6.2 302 88 C Q H X S+ 0 0 46 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.899 107.2 48.7 -60.4 -42.2 -8.4 28.5 4.6 303 89 C A H X S+ 0 0 32 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.890 106.6 54.3 -66.1 -42.6 -11.7 27.1 3.5 304 90 C A H X S+ 0 0 15 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.808 109.3 51.7 -60.2 -28.5 -12.4 25.6 6.9 305 91 C A H X S+ 0 0 4 -4,-1.6 4,-0.5 2,-0.2 3,-0.4 0.943 106.3 52.0 -73.9 -49.8 -11.9 29.1 8.2 306 92 C E H >< S+ 0 0 97 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.895 110.7 50.3 -50.2 -44.1 -14.4 30.5 5.7 307 93 C Q H >< S+ 0 0 30 -4,-2.5 3,-1.8 1,-0.2 4,-0.3 0.838 97.4 64.5 -63.3 -37.7 -17.0 28.0 6.8 308 94 C L H >X S+ 0 0 1 -4,-1.2 3,-1.2 -3,-0.4 4,-1.2 0.624 81.0 83.1 -74.1 -5.3 -16.7 28.6 10.5 309 95 C K H S+ 0 0 41 -3,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.824 97.5 50.6 -60.8 -35.5 -21.4 30.7 9.9 311 97 C T H <> S+ 0 0 8 -3,-1.2 4,-1.9 -4,-0.3 5,-0.3 0.915 108.1 51.0 -67.9 -48.4 -20.9 30.1 13.6 312 98 C C H X S+ 0 0 34 -4,-1.2 4,-1.5 1,-0.2 -2,-0.2 0.896 115.8 44.2 -51.3 -42.8 -19.8 33.7 14.1 313 99 C N H X S+ 0 0 99 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.841 107.8 54.7 -80.1 -33.3 -22.9 34.8 12.3 314 100 C A H X S+ 0 0 18 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.896 114.7 41.9 -62.1 -41.9 -25.4 32.4 14.0 315 101 C C H X S+ 0 0 30 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.811 114.3 52.4 -79.1 -32.0 -24.4 33.7 17.4 316 102 C H H X S+ 0 0 49 -4,-1.5 4,-1.6 -5,-0.3 -2,-0.2 0.969 106.8 51.6 -66.0 -47.2 -24.2 37.3 16.3 317 103 C Q H < S+ 0 0 172 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.817 121.3 33.2 -60.1 -30.9 -27.7 37.3 14.9 318 104 C K H < S+ 0 0 77 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.903 129.8 25.0 -90.5 -46.9 -29.1 35.9 18.1 319 105 C Y H < 0 0 32 -4,-2.6 -58,-0.4 -5,-0.1 -2,-0.2 0.193 360.0 360.0-110.3 3.9 -27.0 37.3 20.9 320 106 C R < 0 0 208 -4,-1.6 -4,-0.1 -5,-0.2 -3,-0.0 -0.215 360.0 360.0-120.4 360.0 -25.6 40.5 19.6 321 !* 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 0.0 322 1 D A 0 0 100 0, 0.0 5,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-178.3 -26.2 2.7 -2.2 323 2 D D - 0 0 73 2,-0.1 41,-0.0 1,-0.1 5,-0.0 -0.344 360.0-127.9 -77.2 160.8 -25.5 5.4 -4.8 324 3 D L S >> S+ 0 0 27 3,-0.2 4,-2.4 2,-0.1 3,-1.5 0.924 103.2 64.4 -73.1 -46.9 -23.9 8.8 -4.2 325 4 D E T 34 S+ 0 0 107 1,-0.3 -2,-0.1 2,-0.2 0, 0.0 -0.665 111.6 27.6 -73.5 139.2 -26.7 10.4 -6.0 326 5 D D T 34 S+ 0 0 57 -2,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.350 115.7 64.3 80.8 2.7 -29.7 9.6 -3.8 327 6 D N T <> S+ 0 0 6 -3,-1.5 4,-1.5 3,-0.1 -2,-0.2 0.537 113.4 34.9-104.8 -40.7 -27.2 9.5 -0.9 328 7 D M H X S+ 0 0 59 -4,-2.4 4,-2.8 2,-0.2 -3,-0.2 0.785 118.8 51.4 -74.9 -40.5 -27.0 13.1 -1.9 329 8 D E H > S+ 0 0 99 -5,-0.2 4,-3.1 2,-0.2 5,-0.4 0.961 108.6 51.0 -64.0 -46.3 -30.7 13.1 -2.8 330 9 D T H > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.950 112.9 47.0 -53.7 -48.6 -31.4 11.6 0.7 331 10 D L H X S+ 0 0 17 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.926 115.3 44.5 -59.9 -50.1 -29.3 14.4 2.2 332 11 D N H X S+ 0 0 80 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.917 112.7 48.8 -64.5 -44.8 -30.9 17.1 0.1 333 12 D D H X S+ 0 0 92 -4,-3.1 4,-2.0 1,-0.2 3,-0.3 0.936 113.6 47.5 -57.4 -49.5 -34.6 16.0 0.6 334 13 D N H X S+ 0 0 14 -4,-2.1 4,-2.4 -5,-0.4 -1,-0.2 0.783 104.3 61.5 -67.1 -28.4 -34.2 15.7 4.3 335 14 D L H X S+ 0 0 13 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.2 0.906 107.6 43.5 -62.2 -44.6 -32.5 19.1 4.5 336 15 D K H X S+ 0 0 108 -4,-1.4 4,-2.1 -3,-0.3 -2,-0.2 0.884 108.6 58.6 -65.6 -40.7 -35.7 20.7 3.2 337 16 D V H >X S+ 0 0 61 -4,-2.0 4,-0.9 1,-0.2 3,-0.5 0.953 107.6 46.9 -53.3 -48.8 -37.8 18.5 5.5 338 17 D I H >< S+ 0 0 2 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.912 109.8 55.9 -59.9 -39.0 -35.8 20.0 8.4 339 18 D E H 3< S+ 0 0 84 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.805 114.8 36.1 -61.3 -36.5 -36.4 23.5 6.8 340 19 D K H << S+ 0 0 179 -4,-2.1 -1,-0.2 -3,-0.5 -2,-0.2 0.427 92.7 131.9 -94.7 -2.1 -40.1 23.1 6.8 341 20 D A << - 0 0 15 -4,-0.9 3,-0.1 -3,-0.8 -3,-0.1 -0.064 39.2-168.9 -63.7 153.9 -40.5 21.2 10.1 342 21 D D + 0 0 130 1,-0.1 2,-0.2 63,-0.0 -1,-0.1 0.659 65.9 17.4-103.5 -29.2 -42.8 22.0 12.7 343 22 D N S > S- 0 0 59 1,-0.1 4,-1.4 62,-0.1 -1,-0.1 -0.778 76.1 -97.4-144.3 174.0 -41.6 19.8 15.4 344 23 D A H > S+ 0 0 15 -2,-0.2 4,-2.8 2,-0.2 5,-0.2 0.902 112.1 59.3 -66.1 -42.3 -38.8 17.7 16.9 345 24 D A H > S+ 0 0 63 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.897 105.1 50.7 -59.2 -44.2 -40.0 14.4 15.7 346 25 D Q H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.923 113.0 45.6 -61.5 -43.5 -39.8 15.5 12.2 347 26 D V H X S+ 0 0 1 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.832 109.6 53.2 -66.6 -37.3 -36.3 16.7 12.7 348 27 D K H X S+ 0 0 75 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.885 111.0 46.6 -64.9 -40.6 -35.1 13.8 14.5 349 28 D D H X S+ 0 0 53 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.898 114.2 48.1 -68.0 -43.5 -36.3 11.4 11.8 350 29 D A H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.914 111.0 49.1 -65.9 -44.7 -34.8 13.6 9.1 351 30 D L H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.889 108.5 54.3 -62.4 -39.2 -31.4 14.0 10.7 352 31 D T H X S+ 0 0 17 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.883 107.8 50.5 -61.1 -40.6 -31.2 10.2 11.3 353 32 D K H X S+ 0 0 90 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.892 109.2 50.4 -66.5 -41.7 -31.8 9.7 7.6 354 33 D M H X S+ 0 0 4 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.843 107.4 55.6 -61.1 -36.0 -29.0 12.1 6.8 355 34 D A H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.961 108.4 46.7 -63.5 -49.1 -26.8 10.2 9.1 356 35 D A H X S+ 0 0 33 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.931 115.5 45.7 -54.4 -48.2 -27.4 6.9 7.3 357 36 D A H X S+ 0 0 5 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.909 113.3 49.0 -68.8 -41.1 -26.8 8.6 3.8 358 37 D A H X S+ 0 0 0 -4,-2.6 4,-0.6 2,-0.2 3,-0.2 0.947 115.6 43.4 -61.6 -45.7 -23.7 10.4 4.9 359 38 D A H >< S+ 0 0 3 -4,-2.6 3,-1.3 1,-0.2 4,-0.3 0.933 113.6 51.0 -66.7 -44.6 -22.2 7.2 6.5 360 39 D D H >< S+ 0 0 55 -4,-2.8 3,-0.6 -5,-0.3 -1,-0.2 0.741 105.3 57.9 -63.0 -25.5 -23.2 5.1 3.5 361 40 D A H >< S+ 0 0 0 -4,-1.5 3,-1.5 -3,-0.2 -1,-0.3 0.658 79.3 93.7 -79.1 -7.9 -21.6 7.6 1.2 362 41 D W T << S+ 0 0 10 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.1 0.761 84.3 49.6 -57.9 -36.1 -18.2 7.2 2.9 363 42 D S T < S+ 0 0 92 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.731 87.1 111.2 -67.1 -33.0 -17.1 4.5 0.4 364 43 D A < - 0 0 24 -3,-1.5 -41,-0.0 -4,-0.2 -3,-0.0 -0.088 54.0-149.2 -66.8 151.4 -17.9 6.3 -2.8 365 44 D T - 0 0 63 5,-0.0 -41,-0.1 17,-0.0 5,-0.1 -0.973 26.3-132.2-112.8 124.4 -15.6 7.6 -5.4 366 45 D P > - 0 0 6 0, 0.0 3,-0.8 0, 0.0 4,-0.1 -0.291 22.5-105.5 -74.1 163.6 -17.0 10.6 -7.1 367 46 D P G > S+ 0 0 96 0, 0.0 3,-1.0 0, 0.0 4,-0.1 0.838 118.2 53.4 -61.1 -40.4 -17.0 11.0 -10.9 368 47 D K G 3 S+ 0 0 119 58,-0.6 3,-0.2 1,-0.2 59,-0.1 0.751 114.2 42.7 -63.7 -27.6 -14.2 13.5 -10.9 369 48 D L G X S+ 0 0 8 -3,-0.8 3,-0.8 57,-0.2 -1,-0.2 0.143 73.7 124.5-110.0 13.8 -11.9 11.2 -8.9 370 49 D E T < S+ 0 0 157 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.654 82.1 33.2 -58.4 -22.7 -12.6 7.9 -10.6 371 50 D D T 3 S+ 0 0 120 -3,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.620 94.0 102.7-108.4 -12.4 -9.0 7.1 -11.5 372 51 D K S < S- 0 0 75 -3,-0.8 4,-0.1 1,-0.1 -3,-0.0 -0.374 85.0 -93.4 -69.1 146.5 -7.3 8.6 -8.6 373 52 D S > - 0 0 73 1,-0.1 3,-2.2 2,-0.1 6,-0.4 -0.323 21.1-133.8 -68.3 141.0 -6.1 6.3 -5.9 374 53 D P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.842 113.8 48.8 -60.0 -31.1 -8.4 5.6 -3.0 375 54 D D T 3 S+ 0 0 102 4,-0.1 -2,-0.1 5,-0.0 -344,-0.0 0.231 95.5 127.4 -93.1 13.7 -5.5 6.1 -0.7 376 55 D S S X> S- 0 0 5 -3,-2.2 4,-2.2 1,-0.1 3,-1.3 -0.392 77.0-112.9 -71.7 147.2 -4.8 9.3 -2.7 377 56 D P H 3> S+ 0 0 91 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.754 116.9 47.5 -53.1 -27.1 -4.4 12.7 -1.3 378 57 D E H 3> S+ 0 0 75 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.676 108.0 53.5 -94.4 -20.8 -7.7 13.8 -2.9 379 58 D M H <> S+ 0 0 5 -3,-1.3 4,-2.4 -6,-0.4 5,-0.2 0.849 106.7 53.6 -70.4 -34.2 -9.7 10.9 -1.8 380 59 D H H X S+ 0 0 48 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.953 112.5 43.7 -63.7 -41.5 -8.5 11.7 1.7 381 60 D D H X S+ 0 0 12 -4,-1.4 4,-1.0 -5,-0.3 -1,-0.2 0.834 109.8 56.5 -74.1 -30.7 -9.7 15.2 1.4 382 61 D F H >X S+ 0 0 8 -4,-1.5 3,-0.6 1,-0.2 4,-0.6 0.970 111.7 42.4 -61.2 -49.0 -13.0 14.0 -0.2 383 62 D R H >X S+ 0 0 17 -4,-2.4 3,-2.0 1,-0.2 4,-1.3 0.905 102.1 66.6 -64.6 -39.9 -13.7 11.8 2.8 384 63 D H H 3X S+ 0 0 25 -4,-2.0 4,-2.1 1,-0.3 3,-0.3 0.823 95.1 60.7 -44.3 -40.1 -12.7 14.4 5.5 385 64 D G H S+ 0 0 3 -4,-2.1 5,-2.1 1,-0.2 9,-0.3 0.846 112.4 48.0 -61.0 -38.4 -30.1 19.6 19.9 400 79 D A H ><5S+ 0 0 1 -4,-2.1 3,-2.6 -5,-0.2 -1,-0.2 0.955 109.1 53.0 -65.5 -42.8 -33.2 18.0 18.4 401 80 D N H 3<5S+ 0 0 44 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.713 105.8 55.1 -64.6 -24.6 -33.2 15.4 21.1 402 81 D E T 3<5S- 0 0 34 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.234 117.6-118.7 -88.0 4.6 -33.1 18.2 23.5 403 82 D C T < 5S+ 0 0 89 -3,-2.6 2,-1.1 1,-0.2 -3,-0.2 0.612 71.4 138.1 56.7 26.5 -36.2 19.6 21.8 404 83 D K >< + 0 0 65 -5,-2.1 4,-1.9 1,-0.2 -1,-0.2 -0.738 23.7 166.7 -91.7 80.7 -34.3 22.7 20.9 405 84 D V H > + 0 0 30 -2,-1.1 4,-2.9 2,-0.2 -1,-0.2 0.917 67.9 49.8 -68.9 -51.9 -35.8 22.8 17.4 406 85 D K H > S+ 0 0 178 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.894 114.0 52.5 -59.9 -33.8 -34.9 26.2 16.1 407 86 D E H > S+ 0 0 22 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.852 108.4 46.3 -65.2 -42.9 -31.4 25.3 17.3 408 87 D A H X S+ 0 0 0 -4,-1.9 4,-1.4 -9,-0.3 -1,-0.2 0.879 111.9 55.7 -61.1 -37.4 -31.4 22.0 15.4 409 88 D Q H X S+ 0 0 46 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.843 108.5 44.3 -67.7 -37.5 -32.7 24.0 12.5 410 89 D A H X S+ 0 0 23 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.867 108.5 56.4 -71.8 -41.5 -29.9 26.5 12.5 411 90 D A H < S+ 0 0 19 -4,-1.8 4,-0.2 2,-0.2 -2,-0.2 0.799 107.8 52.0 -60.9 -29.7 -27.2 23.9 12.9 412 91 D A H >< S+ 0 0 2 -4,-1.4 3,-1.2 2,-0.2 4,-0.3 0.929 107.8 49.9 -71.7 -45.4 -28.7 22.3 9.8 413 92 D E H >< S+ 0 0 91 -4,-1.5 3,-1.3 1,-0.3 4,-0.3 0.905 111.3 48.6 -59.7 -41.0 -28.4 25.6 8.0 414 93 D Q T 3< S+ 0 0 30 -4,-2.7 3,-0.3 1,-0.3 -1,-0.3 0.546 99.1 68.6 -70.8 -12.4 -24.8 26.0 9.0 415 94 D L T <> S+ 0 0 0 -3,-1.2 4,-0.8 -4,-0.2 3,-0.4 0.482 80.4 81.8 -83.2 -12.5 -24.2 22.5 7.9 416 95 D K H X> S+ 0 0 59 -3,-1.3 4,-2.4 -4,-0.3 3,-0.5 0.844 76.7 66.2 -63.3 -40.6 -24.7 23.7 4.4 417 96 D T H 3> S+ 0 0 30 -3,-0.3 4,-3.7 -4,-0.3 5,-0.2 0.863 97.7 55.8 -48.9 -41.9 -21.2 25.0 4.0 418 97 D T H 3> S+ 0 0 9 -3,-0.4 4,-1.5 1,-0.3 -1,-0.3 0.885 107.4 47.8 -63.0 -42.4 -19.9 21.6 4.2 419 98 D C H