==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 02-FEB-08 3C62 . COMPND 2 MOLECULE: SOLUBLE CYTOCHROME B562; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.A.TEZCAN,E.N.SALGADO,R.A.LEWIS,J.FARAONE-MENNELLA . 424 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20971.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 82.8 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 . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 286 67.5 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 0 4 4 0 0 0 0 1 3 3 1 0 0 0 0 1 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 95 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.5 12.8 12.9 9.6 2 2 A D > - 0 0 87 1,-0.0 4,-2.2 41,-0.0 3,-0.3 -0.309 360.0 -85.0 -95.6-177.4 10.0 11.3 11.5 3 3 A L H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.895 128.0 53.5 -52.8 -45.0 7.6 8.5 10.7 4 4 A E H > S+ 0 0 153 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.867 107.8 48.2 -62.9 -37.7 5.3 10.9 8.9 5 5 A D H > S+ 0 0 82 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.883 111.6 51.1 -70.3 -37.7 8.1 12.2 6.6 6 6 A N H X S+ 0 0 10 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.869 108.6 51.1 -66.2 -37.1 9.2 8.7 5.8 7 7 A M H X S+ 0 0 58 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.869 108.7 51.5 -68.5 -35.2 5.6 7.7 4.9 8 8 A E H X S+ 0 0 100 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.950 109.1 50.7 -65.3 -46.7 5.4 10.7 2.6 9 9 A T H X S+ 0 0 47 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.889 109.4 51.5 -57.0 -41.1 8.6 9.6 0.9 10 10 A L H X S+ 0 0 12 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.954 112.1 46.0 -61.1 -49.4 7.3 6.1 0.5 11 11 A N H X S+ 0 0 74 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.862 110.8 52.8 -62.8 -40.5 4.1 7.4 -1.2 12 12 A D H X S+ 0 0 66 -4,-2.7 4,-1.6 1,-0.2 3,-0.3 0.950 110.0 46.0 -61.6 -51.2 5.8 9.8 -3.5 13 13 A N H X S+ 0 0 12 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.752 104.3 62.4 -66.4 -23.6 8.2 7.3 -5.0 14 14 A L H X S+ 0 0 8 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.930 107.7 44.9 -65.3 -42.2 5.4 4.9 -5.4 15 15 A K H X S+ 0 0 110 -4,-1.4 4,-1.6 -3,-0.3 -2,-0.2 0.834 111.8 52.2 -68.8 -35.4 3.9 7.5 -7.8 16 16 A V H X S+ 0 0 66 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.936 108.5 50.5 -65.1 -48.8 7.3 8.0 -9.4 17 17 A I H < S+ 0 0 1 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.893 107.0 54.8 -57.9 -41.8 7.7 4.3 -10.1 18 18 A E H < S+ 0 0 100 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.916 116.5 36.1 -57.8 -45.8 4.2 4.1 -11.6 19 19 A K H < S+ 0 0 170 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.488 89.3 129.4 -87.8 -5.7 5.0 6.8 -14.2 20 20 A A < - 0 0 10 -4,-1.2 3,-0.1 -3,-0.4 -3,-0.1 -0.169 42.2-163.5 -54.9 141.5 8.7 5.8 -14.7 21 21 A D + 0 0 140 1,-0.1 2,-0.3 63,-0.0 -1,-0.1 0.612 67.6 21.4-100.3 -18.3 9.8 5.4 -18.3 22 22 A N S > S- 0 0 69 62,-0.1 4,-1.3 1,-0.1 -1,-0.1 -0.906 78.8 -99.8-146.7 175.0 13.1 3.5 -17.6 23 23 A A H > S+ 0 0 21 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.857 113.5 56.6 -63.4 -42.8 15.1 1.3 -15.2 24 24 A A H > S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 106.6 50.6 -60.0 -40.6 17.3 4.0 -13.8 25 25 A Q H > S+ 0 0 83 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.870 112.4 46.8 -65.6 -37.7 14.2 6.0 -12.7 26 26 A V H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 5,-0.2 0.907 110.2 51.5 -71.1 -43.8 12.8 3.0 -10.9 27 27 A K H X S+ 0 0 57 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.945 110.1 49.9 -58.4 -47.7 16.0 2.0 -9.2 28 28 A D H X S+ 0 0 100 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.919 112.1 47.9 -56.8 -46.2 16.4 5.5 -7.8 29 29 A A H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.900 112.8 47.1 -64.1 -42.7 12.8 5.5 -6.5 30 30 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.922 108.5 55.9 -65.8 -42.3 13.1 2.1 -4.9 31 31 A T H X S+ 0 0 62 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.891 109.0 47.2 -57.1 -40.1 16.4 3.1 -3.3 32 32 A K H X S+ 0 0 110 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.918 110.2 52.3 -68.1 -42.0 14.7 6.1 -1.7 33 33 A M H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.907 106.5 55.2 -59.5 -39.5 11.9 3.9 -0.5 34 34 A R H X S+ 0 0 35 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.941 109.8 44.2 -58.7 -49.3 14.4 1.5 1.1 35 35 A A H X S+ 0 0 28 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.917 114.8 49.2 -62.2 -44.1 16.0 4.2 3.2 36 36 A A H X S+ 0 0 5 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.857 111.5 49.3 -63.9 -37.5 12.6 5.7 4.2 37 37 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.930 113.7 45.3 -67.6 -46.5 11.3 2.2 5.2 38 38 A L H X S+ 0 0 4 -4,-2.5 4,-0.6 -5,-0.2 -2,-0.2 0.856 113.2 51.1 -65.0 -36.1 14.4 1.5 7.3 39 39 A D H >< S+ 0 0 27 -4,-2.5 3,-0.9 -5,-0.2 4,-0.3 0.938 113.1 44.8 -66.9 -44.5 14.2 5.0 8.8 40 40 A A H >< S+ 0 0 0 -4,-2.5 3,-2.3 1,-0.2 -2,-0.2 0.846 98.5 73.0 -66.8 -35.2 10.5 4.5 9.7 41 41 A Q H 3< S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.730 93.0 55.3 -52.7 -26.7 11.2 1.0 11.0 42 42 A K T << S+ 0 0 97 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.616 91.5 99.3 -83.1 -13.5 12.9 2.4 14.1 43 43 A A < - 0 0 9 -3,-2.3 -41,-0.0 -4,-0.3 -3,-0.0 -0.415 69.0-134.7 -80.7 149.7 9.9 4.6 15.0 44 44 A T - 0 0 74 -2,-0.1 -41,-0.1 5,-0.0 5,-0.1 -0.906 30.9-130.3 -99.5 116.9 7.2 3.9 17.6 45 45 A P >> - 0 0 3 0, 0.0 3,-2.2 0, 0.0 4,-0.6 -0.367 17.0-115.0 -69.2 148.3 3.8 4.7 16.0 46 46 A P G >4 S+ 0 0 84 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.849 116.9 56.3 -48.7 -41.1 1.3 7.0 17.9 47 47 A K G 34 S+ 0 0 121 58,-0.5 3,-0.2 1,-0.2 59,-0.1 0.680 113.2 40.6 -68.6 -17.4 -1.1 4.1 18.2 48 48 A L G X4 S+ 0 0 7 -3,-2.2 3,-1.9 57,-0.1 -1,-0.2 0.365 82.4 106.4-111.6 5.6 1.6 2.0 19.9 49 49 A E T << S+ 0 0 142 -3,-1.0 -2,-0.1 -4,-0.6 -1,-0.1 0.771 83.2 45.5 -54.0 -33.6 3.0 4.8 22.1 50 50 A D T 3 S+ 0 0 134 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.387 95.2 94.6 -94.8 4.6 1.4 3.4 25.3 51 51 A K S < S- 0 0 79 -3,-1.9 -3,-0.0 1,-0.1 0, 0.0 -0.562 89.7 -93.9 -89.8 158.9 2.4 -0.2 24.6 52 52 A S > - 0 0 69 -2,-0.2 3,-1.9 1,-0.1 6,-0.3 -0.515 35.7-115.8 -72.5 140.3 5.6 -1.7 26.1 53 53 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.755 115.9 41.8 -46.6 -28.2 8.6 -1.5 23.6 54 54 A D T 3 S+ 0 0 55 4,-0.1 -2,-0.1 347,-0.1 0, 0.0 -0.228 87.5 128.6-118.7 46.6 8.8 -5.2 23.5 55 55 A S S <> S- 0 0 8 -3,-1.9 4,-1.9 1,-0.1 3,-0.3 -0.471 75.2-103.4 -91.9 165.2 5.0 -6.0 23.2 56 56 A P H > S+ 0 0 103 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.866 120.7 58.2 -57.8 -36.7 3.5 -8.3 20.6 57 57 A E H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.889 107.1 44.8 -60.7 -45.3 2.2 -5.1 18.8 58 58 A M H > S+ 0 0 26 -6,-0.3 4,-2.6 -3,-0.3 -1,-0.2 0.857 111.7 53.2 -70.1 -33.0 5.6 -3.6 18.4 59 59 A H H X S+ 0 0 58 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.895 112.1 45.2 -67.7 -38.8 7.1 -7.0 17.2 60 60 A D H X S+ 0 0 41 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.868 111.4 53.4 -69.7 -38.6 4.3 -7.2 14.6 61 61 A F H X S+ 0 0 12 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.936 110.7 46.5 -61.4 -47.2 4.9 -3.6 13.6 62 62 A D H X S+ 0 0 16 -4,-2.6 4,-2.0 1,-0.2 3,-0.2 0.898 109.0 55.3 -61.8 -42.4 8.6 -4.4 13.1 63 63 A H H X S+ 0 0 34 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.907 102.2 57.8 -58.0 -43.6 7.8 -7.5 11.1 64 64 A G H X S+ 0 0 17 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.876 106.3 47.3 -56.5 -41.6 5.7 -5.4 8.7 65 65 A F H X S+ 0 0 10 -4,-1.3 4,-3.6 -3,-0.2 5,-0.3 0.910 107.5 57.0 -67.6 -39.2 8.6 -3.2 7.8 66 66 A D H X S+ 0 0 78 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.931 109.0 47.3 -55.1 -44.8 10.8 -6.3 7.4 67 67 A I H X S+ 0 0 28 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.959 113.0 47.3 -61.4 -51.4 8.2 -7.5 4.8 68 68 A L H X S+ 0 0 10 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.920 112.8 48.8 -55.8 -47.5 8.1 -4.1 3.1 69 69 A V H X S+ 0 0 21 -4,-3.6 4,-2.2 1,-0.2 -1,-0.2 0.880 110.7 51.7 -63.5 -35.1 11.9 -3.8 2.9 70 70 A G H X S+ 0 0 38 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.884 108.6 50.4 -68.1 -37.7 12.1 -7.4 1.6 71 71 A Q H X S+ 0 0 23 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.895 110.2 49.7 -67.4 -38.4 9.6 -6.5 -1.2 72 72 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.910 108.5 54.7 -65.2 -40.7 11.6 -3.4 -2.1 73 73 A H H X S+ 0 0 41 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.938 110.2 44.6 -56.7 -50.5 14.7 -5.7 -2.2 74 74 A A H X S+ 0 0 10 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.920 112.0 52.5 -61.6 -44.2 13.1 -8.1 -4.7 75 75 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.863 105.7 55.7 -60.0 -37.8 11.8 -5.2 -6.7 76 76 A L H X S+ 0 0 18 -4,-2.4 4,-3.6 2,-0.2 -1,-0.2 0.896 104.1 53.1 -61.3 -41.4 15.4 -3.7 -6.9 77 77 A H H X S+ 0 0 47 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.918 110.3 48.4 -60.5 -41.8 16.7 -7.0 -8.3 78 78 A L H ><>S+ 0 0 7 -4,-1.8 5,-2.0 2,-0.2 3,-0.8 0.969 114.9 43.8 -62.0 -52.9 14.0 -6.7 -11.0 79 79 A A H ><5S+ 0 0 1 -4,-2.7 3,-2.4 1,-0.3 -2,-0.2 0.894 109.2 57.5 -57.8 -45.3 14.9 -3.1 -11.8 80 80 A N H 3<5S+ 0 0 46 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.769 104.8 52.0 -58.6 -27.5 18.6 -3.9 -11.6 81 81 A E T <<5S- 0 0 107 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.278 121.6-111.1 -92.2 10.6 18.1 -6.5 -14.4 82 82 A G T < 5S+ 0 0 43 -3,-2.4 2,-1.9 1,-0.2 -3,-0.2 0.515 71.5 142.4 75.5 4.2 16.3 -3.8 -16.4 83 83 A K >< + 0 0 46 -5,-2.0 4,-1.7 -6,-0.2 -1,-0.2 -0.592 20.4 170.3 -80.0 85.1 12.9 -5.4 -16.1 84 84 A V H > S+ 0 0 27 -2,-1.9 4,-2.4 2,-0.2 5,-0.2 0.952 71.0 46.3 -62.3 -55.1 11.0 -2.1 -15.8 85 85 A K H > S+ 0 0 168 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.921 113.4 50.8 -57.2 -44.1 7.5 -3.4 -16.1 86 86 A E H > S+ 0 0 58 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.852 109.9 49.3 -63.1 -37.2 8.1 -6.2 -13.6 87 87 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.886 110.8 50.2 -70.8 -37.7 9.6 -3.8 -11.1 88 88 A Q H X S+ 0 0 39 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.899 109.6 50.6 -66.1 -38.5 6.7 -1.5 -11.4 89 89 A A H X S+ 0 0 48 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.882 109.4 53.2 -64.8 -36.0 4.3 -4.4 -10.9 90 90 A A H X S+ 0 0 5 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.926 107.9 49.0 -64.2 -45.1 6.4 -5.3 -7.8 91 91 A A H < S+ 0 0 2 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.900 112.4 47.7 -62.8 -41.5 6.0 -1.8 -6.4 92 92 A E H >< S+ 0 0 87 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.874 110.1 53.5 -66.7 -37.4 2.2 -1.8 -7.0 93 93 A Q H >< S+ 0 0 35 -4,-2.2 3,-1.7 1,-0.2 4,-0.2 0.859 99.7 60.1 -67.1 -36.4 1.9 -5.3 -5.4 94 94 A L T >X S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.3 4,-1.4 0.610 80.1 87.4 -70.9 -6.5 3.7 -4.3 -2.2 95 95 A K H <> S+ 0 0 76 -3,-1.0 4,-2.3 -4,-0.3 -1,-0.3 0.778 77.6 67.4 -59.6 -23.9 1.0 -1.7 -1.7 96 96 A T H <> S+ 0 0 17 -3,-1.7 4,-2.5 1,-0.2 -1,-0.3 0.806 97.8 51.4 -66.5 -27.4 -0.8 -4.6 0.1 97 97 A T H <> S+ 0 0 17 -3,-1.7 4,-1.9 -4,-0.2 5,-0.3 0.902 106.5 52.2 -75.0 -40.9 1.8 -4.4 2.7 98 98 A C H X S+ 0 0 33 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.933 113.5 46.9 -57.3 -45.3 1.3 -0.6 3.2 99 99 A N H X S+ 0 0 62 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.953 107.7 53.4 -60.6 -56.4 -2.4 -1.4 3.6 100 100 A A H X S+ 0 0 17 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.841 112.7 43.2 -51.2 -43.5 -2.1 -4.3 6.1 101 101 A C H X S+ 0 0 29 -4,-1.9 4,-3.4 2,-0.2 5,-0.3 0.887 113.0 52.2 -73.2 -39.0 0.0 -2.3 8.5 102 102 A H H X S+ 0 0 60 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.935 104.3 57.2 -60.8 -45.9 -2.1 0.8 8.2 103 103 A Q H < S+ 0 0 119 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.884 118.4 33.5 -52.1 -39.3 -5.2 -1.2 9.0 104 104 A K H < S+ 0 0 112 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.878 136.0 13.3 -86.8 -39.9 -3.6 -2.3 12.2 105 105 A Y H < 0 0 30 -4,-3.4 -58,-0.5 -5,-0.1 -3,-0.2 0.416 360.0 360.0-124.7 3.9 -1.5 0.7 13.4 106 106 A R < 0 0 217 -4,-2.4 -4,-0.0 -5,-0.3 0, 0.0 -0.592 360.0 360.0 -93.0 360.0 -2.4 3.9 11.5 107 !* 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 91 0, 0.0 5,-0.1 0, 0.0 42,-0.0 0.000 360.0 360.0 360.0 160.1 13.1 -35.0 -3.6 109 2 B D >> - 0 0 87 1,-0.1 4,-1.6 2,-0.1 3,-1.1 -0.274 360.0-117.4 -58.6 142.3 14.7 -34.2 -6.9 110 3 B L H 3> S+ 0 0 27 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.834 115.2 53.0 -48.0 -40.2 15.1 -30.5 -7.7 111 4 B E H 3> S+ 0 0 131 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.818 102.5 56.4 -69.7 -31.2 12.8 -30.9 -10.7 112 5 B D H <> S+ 0 0 96 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.867 108.0 48.7 -68.5 -35.3 10.0 -32.5 -8.6 113 6 B N H X S+ 0 0 12 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.903 109.6 52.2 -69.7 -39.0 10.0 -29.5 -6.3 114 7 B M H X S+ 0 0 53 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.854 108.2 51.7 -63.3 -34.3 9.9 -27.2 -9.3 115 8 B E H X S+ 0 0 91 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.905 109.0 50.4 -66.8 -42.9 6.9 -29.2 -10.6 116 9 B T H X S+ 0 0 49 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.916 111.5 48.5 -60.6 -43.7 5.2 -28.7 -7.2 117 10 B L H X S+ 0 0 15 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.923 113.3 47.9 -62.4 -45.0 5.9 -25.0 -7.4 118 11 B N H >X S+ 0 0 86 -4,-2.5 4,-1.1 1,-0.2 3,-0.5 0.939 111.6 46.6 -63.5 -52.9 4.5 -24.8 -11.0 119 12 B D H >X S+ 0 0 67 -4,-2.8 4,-2.0 1,-0.2 3,-0.7 0.907 109.6 53.5 -58.8 -44.5 1.3 -26.7 -10.5 120 13 B N H 3X S+ 0 0 16 -4,-1.9 4,-2.7 1,-0.3 -1,-0.2 0.762 97.9 63.6 -65.5 -24.4 0.3 -24.9 -7.3 121 14 B L H < S+ 0 0 1 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.893 110.1 51.1 -63.9 -40.9 -3.9 -20.6 -6.6 125 18 B E H 3< S+ 0 0 124 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.881 115.4 42.7 -64.4 -37.6 -5.0 -18.8 -9.8 126 19 B K H 3< S+ 0 0 145 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.422 88.6 130.7 -87.7 -2.0 -8.0 -21.0 -10.2 127 20 B A << - 0 0 12 -3,-0.7 -3,-0.1 -4,-0.5 3,-0.1 -0.220 41.9-165.5 -59.5 140.6 -8.9 -20.9 -6.5 128 21 B D S S+ 0 0 136 1,-0.1 2,-0.2 63,-0.0 -1,-0.1 0.811 70.4 13.8 -90.9 -37.9 -12.5 -20.1 -5.4 129 22 B N S > S- 0 0 68 62,-0.1 4,-1.3 1,-0.1 3,-0.1 -0.714 82.0 -94.2-133.8-179.1 -11.7 -19.4 -1.7 130 23 B A H > S+ 0 0 22 -2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.883 115.0 63.6 -65.7 -39.7 -9.1 -18.6 0.9 131 24 B A H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.899 105.1 44.9 -52.3 -46.9 -8.8 -22.3 1.9 132 25 B Q H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.836 112.9 49.5 -69.5 -35.9 -7.6 -23.3 -1.5 133 26 B V H X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.925 113.6 46.5 -69.9 -42.4 -5.1 -20.4 -1.9 134 27 B K H X S+ 0 0 67 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.903 111.5 51.2 -65.4 -41.6 -3.6 -21.1 1.6 135 28 B D H X S+ 0 0 83 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.936 114.4 43.2 -61.4 -46.1 -3.4 -24.8 0.9 136 29 B A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.915 113.1 52.3 -66.1 -42.7 -1.6 -24.2 -2.4 137 30 B L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.898 108.3 51.1 -61.1 -40.3 0.7 -21.6 -0.8 138 31 B T H X S+ 0 0 76 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.871 108.7 50.6 -67.5 -34.9 1.7 -23.9 2.0 139 32 B K H X S+ 0 0 103 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.860 110.0 51.4 -70.1 -31.4 2.6 -26.6 -0.4 140 33 B M H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.923 105.8 54.5 -68.5 -42.5 4.7 -24.1 -2.3 141 34 B R H X S+ 0 0 30 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.917 110.1 47.6 -55.1 -44.3 6.4 -23.1 0.9 142 35 B A H X S+ 0 0 31 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.858 112.2 48.2 -66.7 -38.0 7.4 -26.8 1.4 143 36 B A H X S+ 0 0 4 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.871 111.3 49.5 -70.6 -41.1 8.6 -27.2 -2.1 144 37 B A H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.935 110.9 50.6 -63.3 -47.0 10.7 -24.1 -2.1 145 38 B L H < S+ 0 0 6 -4,-2.2 4,-0.5 -5,-0.3 -1,-0.2 0.842 113.9 43.6 -61.2 -37.2 12.3 -25.1 1.2 146 39 B D H >< S+ 0 0 32 -4,-1.5 3,-1.4 2,-0.2 4,-0.4 0.916 113.9 51.6 -73.8 -41.1 13.2 -28.6 -0.0 147 40 B A H >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.885 100.4 64.4 -59.0 -38.3 14.4 -27.0 -3.3 148 41 B Q T 3< S+ 0 0 6 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.715 97.0 56.2 -59.6 -22.7 16.5 -24.7 -1.3 149 42 B K T < S+ 0 0 78 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.564 93.3 97.7 -87.3 -8.4 18.6 -27.6 0.0 150 43 B A < - 0 0 22 -3,-1.9 -41,-0.0 -4,-0.4 -3,-0.0 -0.377 69.0-132.8 -87.2 159.0 19.5 -28.8 -3.5 151 44 B T - 0 0 71 -2,-0.1 -41,-0.1 5,-0.0 5,-0.1 -0.936 29.4-136.6-108.2 111.2 22.5 -28.4 -5.7 152 45 B P >> - 0 0 3 0, 0.0 3,-2.3 0, 0.0 4,-0.8 -0.375 18.5-114.8 -69.6 146.6 21.4 -27.4 -9.3 153 46 B P G >4 S+ 0 0 79 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.891 115.5 54.6 -44.3 -52.0 23.0 -29.1 -12.3 154 47 B K G 34 S+ 0 0 120 58,-0.5 59,-0.1 1,-0.3 3,-0.1 0.606 117.1 37.4 -62.4 -12.8 24.6 -25.9 -13.5 155 48 B L G X4 S+ 0 0 6 -3,-2.3 3,-1.6 57,-0.1 -1,-0.3 0.339 80.3 104.5-120.3 3.9 26.2 -25.4 -10.1 156 49 B E T << S+ 0 0 125 -3,-1.3 -2,-0.1 -4,-0.8 -1,-0.1 0.796 82.1 56.1 -56.2 -27.6 27.2 -28.9 -9.2 157 50 B D T 3 S+ 0 0 125 -4,-0.4 -1,-0.3 2,-0.1 -2,-0.1 0.701 94.8 84.9 -77.5 -21.5 30.8 -28.0 -10.1 158 51 B K S < S- 0 0 79 -3,-1.6 4,-0.1 1,-0.1 -3,-0.1 -0.354 85.8-104.7 -80.2 160.8 30.8 -25.1 -7.6 159 52 B S - 0 0 62 2,-0.2 6,-0.3 1,-0.1 -1,-0.1 -0.556 27.6-115.4 -83.4 149.4 31.6 -25.3 -3.9 160 53 B P S S+ 0 0 105 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.842 115.7 59.0 -52.4 -30.2 28.8 -25.0 -1.4 161 54 B D S S+ 0 0 76 4,-0.1 -2,-0.2 133,-0.0 3,-0.1 -0.874 83.1 108.7-103.2 100.4 30.6 -21.8 -0.4 162 55 B S S > S- 0 0 14 -2,-0.9 4,-2.5 -4,-0.1 5,-0.3 -0.941 79.1-106.0-166.9 152.3 30.7 -19.7 -3.6 163 56 B P H > S+ 0 0 104 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.869 119.6 51.7 -52.1 -42.2 28.9 -16.5 -4.8 164 57 B E H > S+ 0 0 59 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.942 112.4 41.8 -63.5 -51.4 26.7 -18.6 -7.1 165 58 B M H > S+ 0 0 27 -6,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.822 114.9 51.9 -67.8 -30.1 25.5 -21.1 -4.4 166 59 B H H X S+ 0 0 48 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.868 113.0 45.6 -72.3 -35.0 25.1 -18.2 -1.9 167 60 B D H X S+ 0 0 35 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.877 110.0 54.6 -72.8 -37.2 23.0 -16.4 -4.6 168 61 B F H X S+ 0 0 10 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.922 110.3 45.9 -60.7 -46.2 21.1 -19.6 -5.3 169 62 B D H X S+ 0 0 16 -4,-2.1 4,-1.6 1,-0.2 3,-0.2 0.875 109.6 55.5 -63.6 -39.5 20.2 -19.9 -1.6 170 63 B H H X S+ 0 0 30 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.902 100.5 59.5 -61.9 -41.4 19.3 -16.2 -1.6 171 64 B G H X S+ 0 0 19 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.882 105.8 47.8 -56.0 -39.2 16.8 -16.7 -4.4 172 65 B F H X S+ 0 0 9 -4,-1.1 4,-3.1 -3,-0.2 5,-0.3 0.846 106.9 55.5 -72.9 -30.4 14.9 -19.2 -2.4 173 66 B D H X S+ 0 0 82 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.884 108.4 50.7 -65.9 -35.8 14.8 -16.9 0.6 174 67 B I H X S+ 0 0 29 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.972 113.4 44.0 -62.4 -53.9 13.2 -14.3 -1.7 175 68 B L H X S+ 0 0 9 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.919 113.8 48.7 -57.6 -49.6 10.6 -16.8 -2.9 176 69 B V H X S+ 0 0 18 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.876 110.7 52.3 -61.6 -37.0 9.8 -18.2 0.6 177 70 B G H X S+ 0 0 38 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.893 110.2 47.9 -65.4 -38.9 9.5 -14.6 1.9 178 71 B Q H X S+ 0 0 31 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.870 110.7 50.9 -68.9 -37.4 7.0 -13.8 -0.9 179 72 B I H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.915 109.6 53.4 -64.8 -38.0 5.1 -17.0 -0.1 180 73 B H H X S+ 0 0 35 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.912 109.3 45.8 -61.8 -46.0 5.1 -15.8 3.5 181 74 B A H >X S+ 0 0 10 -4,-2.2 4,-1.7 1,-0.2 3,-0.6 0.936 110.6 54.0 -62.9 -47.1 3.7 -12.4 2.6 182 75 B A H 3X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.3 -2,-0.2 0.896 105.3 54.5 -52.7 -44.3 1.0 -14.0 0.4 183 76 B L H 3X S+ 0 0 10 -4,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.826 103.5 56.0 -61.4 -33.4 0.0 -16.2 3.3 184 77 B H H << S+ 0 0 48 -4,-1.3 4,-0.3 -3,-0.6 -1,-0.2 0.932 108.5 46.2 -64.7 -45.1 -0.5 -13.1 5.4 185 78 B L H ><>S+ 0 0 8 -4,-1.7 5,-1.7 1,-0.2 3,-0.8 0.878 112.8 51.1 -65.0 -38.1 -3.0 -11.6 2.9 186 79 B A H ><5S+ 0 0 2 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.917 107.3 51.4 -66.0 -45.6 -4.8 -15.0 2.6 187 80 B N T 3<5S+ 0 0 49 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.479 106.1 56.9 -73.0 1.1 -5.2 -15.4 6.4 188 81 B E T < 5S- 0 0 73 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.307 123.2-105.8-108.4 4.3 -6.7 -11.9 6.5 189 82 B G T < 5S+ 0 0 53 -3,-1.8 2,-2.7 1,-0.1 3,-0.2 0.251 79.3 134.6 91.7 -11.9 -9.4 -12.9 4.0 190 83 B K >< + 0 0 35 -5,-1.7 4,-2.1 1,-0.2 5,-0.2 -0.370 19.1 162.4 -71.3 67.7 -7.8 -11.0 1.1 191 84 B V H > S+ 0 0 32 -2,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.894 72.5 49.7 -54.5 -45.7 -8.2 -13.9 -1.4 192 85 B K H > S+ 0 0 178 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.907 110.6 47.9 -61.9 -46.0 -7.7 -11.6 -4.4 193 86 B E H > S+ 0 0 59 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.833 110.6 52.5 -65.8 -33.4 -4.5 -9.9 -3.1 194 87 B A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.872 109.9 48.8 -69.9 -36.4 -3.0 -13.3 -2.2 195 88 B Q H X S+ 0 0 42 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.886 110.5 50.3 -70.0 -38.0 -3.7 -14.5 -5.8 196 89 B A H X S+ 0 0 52 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.836 108.2 54.4 -67.6 -32.1 -2.1 -11.3 -7.2 197 90 B A H X S+ 0 0 7 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.903 106.3 50.2 -68.4 -40.1 0.9 -11.9 -5.0 198 91 B A H < S+ 0 0 4 -4,-1.8 4,-0.2 2,-0.2 -1,-0.2 0.870 111.9 48.7 -65.5 -36.5 1.4 -15.5 -6.3 199 92 B E H >< S+ 0 0 89 -4,-1.7 3,-1.3 1,-0.2 4,-0.3 0.926 110.7 53.0 -66.0 -43.6 1.2 -14.0 -9.8 200 93 B Q H >< S+ 0 0 22 -4,-2.4 3,-1.8 1,-0.3 4,-0.2 0.900 100.6 58.0 -58.6 -46.5 3.7 -11.3 -8.7 201 94 B L T >X S+ 0 0 1 -4,-2.5 4,-1.2 1,-0.3 3,-1.0 0.504 79.5 89.5 -69.5 0.3 6.3 -13.8 -7.4 202 95 B K H <> S+ 0 0 81 -3,-1.3 4,-2.2 1,-0.3 -1,-0.3 0.829 78.8 65.6 -62.9 -27.6 6.5 -15.4 -10.8 203 96 B T H <> S+ 0 0 17 -3,-1.8 4,-2.4 -4,-0.3 -1,-0.3 0.831 96.7 53.6 -62.9 -31.4 9.2 -12.8 -11.5 204 97 B T H <> S+ 0 0 18 -3,-1.0 4,-1.9 -4,-0.2 -1,-0.2 0.897 106.4 52.9 -69.0 -40.7 11.4 -14.5 -8.8 205 98 B C H X S+ 0 0 34 -4,-1.2 4,-2.0 1,-0.2 -2,-0.2 0.950 112.9 43.8 -57.3 -51.9 11.0 -17.8 -10.6 206 99 B N H X S+ 0 0 51 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.899 109.3 56.4 -61.7 -44.2 12.1 -16.3 -13.9 207 100 B A H X S+ 0 0 30 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.875 110.9 42.9 -58.9 -41.4 15.0 -14.4 -12.4 208 101 B C H >X S+ 0 0 28 -4,-1.9 4,-3.1 2,-0.2 3,-1.0 0.933 113.1 52.1 -71.7 -45.1 16.6 -17.5 -10.9 209 102 B H H 3X S+ 0 0 61 -4,-2.0 4,-2.2 1,-0.3 -2,-0.2 0.875 102.3 58.9 -57.0 -43.5 16.0 -19.6 -14.0 210 103 B Q H 3< S+ 0 0 138 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.777 117.9 33.7 -59.0 -26.8 17.7 -17.1 -16.3 211 104 B K H << S+ 0 0 94 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.864 134.6 16.9 -95.5 -45.1 20.8 -17.5 -14.2 212 105 B Y H < 0 0 29 -4,-3.1 -58,-0.5 -5,-0.1 -3,-0.2 0.464 360.0 360.0-114.4 -1.0 20.9 -21.1 -13.0 213 106 B R < 0 0 209 -4,-2.2 0, 0.0 -5,-0.4 0, 0.0 -0.699 360.0 360.0 -90.8 360.0 18.6 -23.1 -15.2 214 !* 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 81 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.4 11.4 -36.3 8.2 216 2 C D > - 0 0 64 1,-0.1 4,-2.7 41,-0.0 5,-0.3 -0.435 360.0 -93.0 -92.1 168.7 9.2 -35.3 11.2 217 3 C L H > S+ 0 0 21 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.908 123.4 57.3 -42.5 -53.3 10.0 -32.8 13.9 218 4 C E H > S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 111.9 37.0 -45.1 -64.1 11.3 -35.7 16.1 219 5 C D H > S+ 0 0 85 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.855 118.3 51.0 -63.1 -35.6 14.0 -36.9 13.6 220 6 C N H X S+ 0 0 10 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.880 110.8 48.7 -69.1 -36.7 14.9 -33.4 12.4 221 7 C M H X S+ 0 0 55 -4,-3.4 4,-2.5 -5,-0.3 -2,-0.2 0.844 111.8 51.6 -68.1 -34.7 15.3 -32.3 16.1 222 8 C E H X S+ 0 0 98 -4,-2.0 4,-3.2 -5,-0.3 -2,-0.2 0.951 111.6 43.9 -65.6 -53.0 17.4 -35.4 16.6 223 9 C T H X S+ 0 0 52 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.881 114.1 53.1 -59.5 -38.5 19.7 -34.7 13.6 224 10 C L H X S+ 0 0 13 -4,-2.2 4,-0.6 -5,-0.2 -2,-0.2 0.923 112.7 42.6 -62.3 -47.6 19.8 -31.1 14.7 225 11 C N H >X S+ 0 0 88 -4,-2.5 4,-1.1 2,-0.2 3,-0.8 0.916 111.5 55.1 -68.3 -44.1 20.9 -32.1 18.2 226 12 C D H >X S+ 0 0 70 -4,-3.2 4,-1.5 1,-0.2 3,-1.1 0.935 105.8 50.6 -54.4 -53.0 23.4 -34.7 17.0 227 13 C N H 3X S+ 0 0 13 -4,-2.2 4,-2.2 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360.0 7.7 -28.1 23.6 321 !* 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 79 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 172.3 23.2 9.9 11.7 323 2 D D > - 0 0 78 1,-0.1 4,-2.1 41,-0.0 5,-0.2 -0.384 360.0 -98.4 -87.3 171.1 26.0 9.0 9.2 324 3 D L H > S+ 0 0 19 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.937 121.4 51.0 -50.9 -54.5 27.6 5.5 8.8 325 4 D E H > S+ 0 0 97 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.887 112.2 45.0 -53.5 -47.6 30.6 6.4 10.9 326 5 D D H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.829 109.5 54.3 -69.5 -33.5 28.6 7.8 13.9 327 6 D N H X S+ 0 0 9 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.870 105.0 56.4 -67.2 -34.2 26.1 4.9 13.9 328 7 D M H X S+ 0 0 55 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.879 106.0 50.2 -62.3 -39.4 29.1 2.6 14.1 329 8 D E H X S+ 0 0 115 -4,-1.3 4,-3.0 2,-0.2 -2,-0.2 0.930 108.2 51.5 -65.0 -45.4 30.2 4.4 17.3 330 9 D T H X S+ 0 0 49 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.906 109.7 52.0 -54.7 -45.1 26.8 4.1 18.8 331 10 D L H X S+ 0 0 12 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.934 112.4 43.8 -57.4 -51.0 27.0 0.4 18.1 332 11 D N H X S+ 0 0 91 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.847 111.7 53.7 -67.6 -35.2 30.4 0.0 19.8 333 12 D D H >X S+ 0 0 88 -4,-3.0 4,-1.2 1,-0.2 3,-0.5 0.933 110.7 44.4 -66.4 -46.2 29.4 2.1 22.8 334 13 D N H 3X S+ 0 0 15 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.795 103.4 65.1 -69.6 -26.7 26.3 0.1 23.6 335 14 D L H 3X S+ 0 0 7 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.862 106.2 45.2 -61.8 -33.0 28.2 -3.1 23.1 336 15 D K H < S+ 0 0 1 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.898 108.6 54.9 -65.6 -39.6 25.8 -4.6 27.5 339 18 D E H 3< S+ 0 0 91 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.909 115.5 37.7 -59.5 -42.6 29.1 -6.0 28.7 340 19 D K H 3< S+ 0 0 160 -4,-1.9 -1,-0.2 -5,-0.0 -2,-0.2 0.424 92.5 124.8 -90.7 0.5 28.9 -4.0 31.9 341 20 D A << - 0 0 6 -3,-0.7 3,-0.1 -4,-0.6 -3,-0.1 -0.236 37.3-175.0 -64.4 148.3 25.1 -4.5 32.3 342 21 D D + 0 0 136 1,-0.2 2,-0.3 63,-0.0 -1,-0.1 0.635 65.5 35.8-115.5 -26.1 23.6 -5.9 35.5 343 22 D N S > S- 0 0 72 1,-0.1 4,-1.4 62,-0.1 3,-0.2 -0.870 80.1-111.8-129.8 163.9 19.9 -6.3 34.7 344 23 D A H > S+ 0 0 20 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.858 113.8 63.4 -60.3 -37.3 17.7 -7.1 31.7 345 24 D A H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.933 103.2 48.0 -53.0 -49.9 16.5 -3.5 31.6 346 25 D Q H > S+ 0 0 76 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.877 113.2 47.2 -60.1 -41.1 19.9 -2.2 30.9 347 26 D V H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 5,-0.2 0.882 109.2 52.9 -70.9 -39.2 20.6 -4.8 28.1 348 27 D K H X S+ 0 0 63 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.963 110.1 48.7 -59.6 -50.3 17.2 -4.2 26.4 349 28 D D H X S+ 0 0 82 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.903 112.8 46.5 -56.1 -47.4 17.8 -0.5 26.2 350 29 D A H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.884 114.4 47.4 -64.2 -40.9 21.4 -0.9 24.8 351 30 D L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.919 108.4 55.4 -65.5 -44.2 20.2 -3.4 22.2 352 31 D T H X S+ 0 0 53 -4,-3.1 4,-1.9 1,-0.3 -2,-0.2 0.923 110.5 45.9 -52.9 -46.8 17.3 -1.2 21.3 353 32 D K H X S+ 0 0 99 -4,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.831 109.1 55.7 -66.8 -33.7 19.8 1.5 20.6 354 33 D M H X S+ 0 0 2 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.896 107.0 50.0 -66.1 -39.6 22.0 -0.9 18.7 355 34 D R H X S+ 0 0 40 -4,-2.7 4,-3.3 2,-0.2 5,-0.3 0.918 110.2 49.2 -63.6 -46.3 19.1 -1.8 16.4 356 35 D A H X S+ 0 0 30 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.891 113.2 46.0 -60.4 -42.1 18.3 1.8 15.6 357 36 D A H X S+ 0 0 4 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.778 115.0 50.2 -71.5 -25.8 21.9 2.7 14.8 358 37 D A H X S+ 0 0 0 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.929 112.8 42.9 -77.3 -48.0 22.0 -0.5 12.7 359 38 D L H < S+ 0 0 5 -4,-3.3 4,-0.4 1,-0.2 3,-0.2 0.892 115.6 51.7 -64.3 -38.4 18.9 0.2 10.7 360 39 D D H >< S+ 0 0 25 -4,-2.2 3,-0.7 -5,-0.3 4,-0.2 0.895 110.9 46.6 -64.0 -41.4 20.0 3.8 10.3 361 40 D A H >< S+ 0 0 1 -4,-1.5 3,-1.2 1,-0.2 -1,-0.2 0.673 93.3 80.1 -75.5 -18.8 23.4 2.8 9.1 362 41 D Q T 3< S+ 0 0 7 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.734 85.8 58.7 -62.7 -25.1 22.0 0.2 6.6 363 42 D K T < S+ 0 0 106 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.1 0.687 90.2 98.4 -78.3 -18.8 21.1 2.9 4.0 364 43 D A < - 0 0 21 -3,-1.2 -41,-0.0 -4,-0.2 -3,-0.0 -0.163 65.7-137.6 -73.2 161.3 24.7 4.2 3.7 365 44 D T - 0 0 65 17,-0.0 -41,-0.1 2,-0.0 5,-0.1 -0.985 26.9-128.6-118.2 122.3 27.4 3.5 1.2 366 45 D P > - 0 0 4 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.385 19.4-114.7 -72.0 148.6 30.9 2.9 2.7 367 46 D P G > S+ 0 0 75 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.824 114.0 63.3 -50.0 -36.0 33.9 4.9 1.4 368 47 D K G 3 S+ 0 0 134 58,-0.5 59,-0.1 1,-0.3 3,-0.1 0.682 114.5 31.6 -64.9 -19.6 35.5 1.6 0.2 369 48 D L G < S+ 0 0 7 -3,-2.3 3,-0.3 57,-0.1 -1,-0.3 0.171 82.1 117.2-123.2 15.5 32.6 1.1 -2.3 370 49 D E S < S+ 0 0 121 -3,-1.2 2,-1.3 -4,-0.3 -2,-0.1 0.916 78.6 48.1 -48.4 -52.4 31.8 4.8 -3.0 371 50 D D S S+ 0 0 154 -4,-0.4 -1,-0.3 -3,-0.1 2,-0.3 -0.675 95.8 91.0 -95.0 81.3 32.6 4.4 -6.7 372 51 D K S S- 0 0 96 -2,-1.3 4,-0.1 -3,-0.3 -3,-0.0 -0.851 89.4 -79.5-171.7 133.8 30.7 1.2 -7.4 373 52 D S > - 0 0 75 -2,-0.3 3,-2.9 1,-0.2 6,-0.4 -0.033 34.9-132.3 -38.6 128.2 27.2 0.5 -8.7 374 53 D P T 3 S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.446 114.0 47.4 -67.1 6.7 24.7 0.8 -5.8 375 54 D D T 3 S+ 0 0 52 -295,-0.1 -2,-0.1 4,-0.0 -295,-0.0 0.131 89.0 126.6-129.3 12.8 23.5 -2.5 -7.2 376 55 D S S <> S- 0 0 11 -3,-2.9 4,-1.6 -4,-0.1 5,-0.1 -0.093 76.7-105.4 -68.0 169.9 27.0 -4.1 -7.5 377 56 D P H > S+ 0 0 99 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.909 121.1 54.0 -64.0 -39.4 27.9 -7.5 -6.0 378 57 D E H > S+ 0 0 57 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.902 107.6 46.6 -62.2 -45.7 29.9 -5.7 -3.3 379 58 D M H > S+ 0 0 8 -6,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.846 112.1 52.8 -68.3 -28.9 27.0 -3.4 -2.2 380 59 D H H X S+ 0 0 53 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.923 111.9 44.5 -70.2 -42.5 24.7 -6.5 -2.1 381 60 D D H X S+ 0 0 44 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.922 112.0 53.5 -64.7 -45.8 27.2 -8.3 0.1 382 61 D F H X S+ 0 0 9 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.923 109.6 47.3 -54.0 -50.2 27.7 -5.2 2.3 383 62 D D H X S+ 0 0 22 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.861 107.7 57.7 -61.9 -35.3 23.9 -5.0 2.8 384 63 D H H X S+ 0 0 32 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.922 100.9 56.4 -61.2 -44.4 23.8 -8.7 3.6 385 64 D G H X S+ 0 0 18 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.870 107.0 49.2 -56.0 -39.2 26.3 -8.1 6.4 386 65 D F H X S+ 0 0 10 -4,-1.3 4,-3.0 2,-0.2 5,-0.3 0.880 106.2 55.0 -69.6 -37.5 24.0 -5.6 8.0 387 66 D D H X S+ 0 0 79 -4,-1.9 4,-3.4 1,-0.2 -2,-0.2 0.949 108.4 50.4 -59.5 -44.7 21.0 -7.9 7.7 388 67 D I H X S+ 0 0 30 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.942 112.2 46.9 -56.6 -50.0 23.1 -10.5 9.6 389 68 D L H X S+ 0 0 12 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.949 115.6 43.1 -56.9 -55.6 24.0 -7.9 12.3 390 69 D V H X S+ 0 0 23 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.923 112.0 56.4 -59.0 -42.0 20.4 -6.6 12.7 391 70 D G H X S+ 0 0 39 -4,-3.4 4,-1.6 -5,-0.3 -1,-0.2 0.899 109.6 45.6 -56.3 -40.5 19.3 -10.3 12.6 392 71 D Q H X S+ 0 0 33 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.911 110.7 51.5 -70.5 -42.1 21.6 -11.0 15.5 393 72 D I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.913 107.3 56.1 -59.5 -40.7 20.5 -7.9 17.5 394 73 D H H X S+ 0 0 28 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.911 109.0 44.2 -58.2 -45.7 16.9 -9.0 17.0 395 74 D A H X S+ 0 0 12 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.866 111.6 54.2 -67.5 -38.0 17.5 -12.5 18.6 396 75 D A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.861 104.9 55.2 -63.4 -36.5 19.5 -10.9 21.4 397 76 D L H X S+ 0 0 14 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.876 103.5 54.7 -64.9 -37.6 16.5 -8.6 22.0 398 77 D H H X S+ 0 0 44 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.981 108.8 47.6 -58.3 -53.8 14.3 -11.7 22.4 399 78 D L H ><>S+ 0 0 9 -4,-2.0 5,-2.2 1,-0.2 3,-0.7 0.916 113.1 48.3 -51.9 -49.7 16.6 -13.1 25.1 400 79 D A H ><5S+ 0 0 1 -4,-2.4 3,-2.0 1,-0.3 -1,-0.2 0.908 108.2 54.0 -59.2 -44.4 16.7 -9.7 26.9 401 80 D N H 3<5S+ 0 0 51 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.740 103.8 56.5 -64.2 -21.8 12.9 -9.4 26.8 402 81 D E T <<5S- 0 0 79 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.384 122.5-108.6 -89.5 4.7 12.7 -12.8 28.4 403 82 D G T < 5S+ 0 0 47 -3,-2.0 2,-1.4 -5,-0.2 -3,-0.2 0.609 74.6 140.0 79.6 13.9 14.8 -11.5 31.3 404 83 D K >< + 0 0 88 -5,-2.2 4,-2.6 1,-0.2 5,-0.2 -0.545 19.3 169.5 -92.5 72.9 17.8 -13.5 30.3 405 84 D V H > S+ 0 0 27 -2,-1.4 4,-2.6 1,-0.2 5,-0.2 0.927 76.3 43.2 -45.0 -64.9 20.6 -11.0 30.9 406 85 D K H > S+ 0 0 122 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.870 112.4 53.3 -54.1 -41.7 23.5 -13.4 30.6 407 86 D E H > S+ 0 0 73 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.926 112.5 44.7 -61.7 -43.0 22.0 -15.1 27.5 408 87 D A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 3,-0.2 0.879 110.1 54.7 -68.4 -37.2 21.7 -11.7 25.8 409 88 D Q H X S+ 0 0 25 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.837 106.9 51.6 -64.2 -33.5 25.2 -10.6 26.9 410 89 D A H X S+ 0 0 43 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.754 107.5 53.6 -73.3 -26.1 26.6 -13.8 25.2 411 90 D A H X S+ 0 0 7 -4,-1.0 4,-2.3 -3,-0.2 -2,-0.2 0.868 107.1 49.9 -76.0 -37.4 24.7 -12.9 22.1 412 91 D A H < S+ 0 0 3 -4,-1.9 4,-0.3 2,-0.2 -2,-0.2 0.923 112.6 48.1 -66.8 -42.1 26.2 -9.4 22.0 413 92 D E H >< S+ 0 0 91 -4,-1.8 3,-2.0 1,-0.2 4,-0.3 0.973 110.8 51.9 -59.1 -54.7 29.6 -11.0 22.4 414 93 D Q H >< S+ 0 0 23 -4,-2.3 3,-1.9 1,-0.3 4,-0.2 0.869 101.2 58.8 -49.3 -49.8 29.0 -13.5 19.7 415 94 D L T >X S+ 0 0 1 -4,-2.3 4,-1.5 1,-0.3 3,-1.1 0.520 79.9 88.5 -65.5 -2.1 27.9 -11.0 17.0 416 95 D K H <> S+ 0 0 63 -3,-2.0 4,-2.6 -4,-0.3 -1,-0.3 0.885 78.5 66.4 -61.4 -32.6 31.3 -9.3 17.3 417 96 D T H <> S+ 0 0 14 -3,-1.9 4,-2.1 -4,-0.3 -1,-0.3 0.805 98.9 50.3 -56.6 -31.4 32.3 -11.8 14.7 418 97 D T H <> S+ 0 0 17 -3,-1.1 4,-1.9 -4,-0.2 5,-0.3 0.919 108.0 51.0 -73.9 -44.1 29.9 -10.0 12.2 419 98 D C H X S+ 0 0 33 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.941 113.0 48.7 -54.8 -48.2 31.3 -6.6 13.0 420 99 D N H X S+ 0 0 84 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.923 107.4 53.3 -57.2 -52.0 34.8 -8.1 12.3 421 100 D A H X S+ 0 0 31 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.841 112.4 42.7 -57.8 -38.7 33.9 -9.8 9.0 422 101 D C H X S+ 0 0 30 -4,-1.9 4,-4.2 2,-0.2 5,-0.4 0.917 112.1 54.4 -76.6 -40.9 32.5 -6.7 7.4 423 102 D H H X S+ 0 0 72 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.920 107.5 49.0 -57.1 -48.8 35.3 -4.4 8.7 424 103 D Q H < S+ 0 0 151 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.883 121.7 36.8 -61.1 -35.2 38.0 -6.6 7.2 425 104 D K H < S+ 0 0 129 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.876 133.5 16.5 -87.3 -36.6 36.2 -6.7 3.9 426 105 D Y H < 0 0 21 -4,-4.2 -58,-0.5 -5,-0.1 -3,-0.2 0.423 360.0 360.0-122.1 1.5 34.8 -3.2 3.6 427 106 D R < 0 0 215 -4,-2.1 0, 0.0 -5,-0.4 0, 0.0 -0.873 360.0 360.0-111.9 360.0 36.4 -0.8 6.0