==== 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 OXIDOREDUCTASE 14-FEB-05 1YUZ . COMPND 2 MOLECULE: NIGERYTHRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS SUBSP. VULGARIS . AUTHOR R.B.IYER,R.SILAGHI-DUMITRESCU,D.M.KURTZ,W.N.LANZILOTTA . 402 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16438.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 66.7 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 . 18 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 18 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 51.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 4 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 . 2 2 2 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 2 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 M 0 0 40 0, 0.0 2,-0.1 0, 0.0 363,-0.1 0.000 360.0 360.0 360.0 121.9 45.0 63.2 18.5 2 2 A K - 0 0 73 365,-0.1 2,-0.6 1,-0.1 0, 0.0 -0.448 360.0-112.0 -78.5 147.7 48.2 61.1 18.5 3 3 A V - 0 0 68 -2,-0.1 2,-0.1 4,-0.0 -1,-0.1 -0.705 35.3-154.9 -81.2 120.4 49.8 59.8 15.3 4 4 A R - 0 0 43 -2,-0.6 363,-0.1 185,-0.4 -1,-0.0 -0.413 29.1-109.6 -88.8 169.4 49.4 56.0 15.1 5 5 A A S S+ 0 0 93 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.792 106.3 43.4 -68.7 -26.8 51.7 53.7 13.2 6 6 A Q S S- 0 0 90 6,-0.1 -2,-0.3 183,-0.0 3,-0.0 -0.854 97.9 -99.7-120.0 155.2 48.8 53.2 10.8 7 7 A V - 0 0 53 -2,-0.3 5,-0.2 1,-0.1 183,-0.1 -0.570 50.2-109.8 -70.8 126.4 46.3 55.5 9.2 8 8 A P + 0 0 7 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.348 49.3 163.2 -63.2 134.8 43.0 55.3 11.3 9 9 A T > - 0 0 52 -2,-0.1 4,-1.5 -3,-0.0 3,-0.3 -0.910 55.8-100.0-143.2 169.1 40.1 53.5 9.5 10 10 A V T 4 S+ 0 0 23 -2,-0.3 6,-0.1 1,-0.2 129,-0.0 0.724 123.1 55.9 -64.9 -18.0 36.8 51.9 10.4 11 11 A K T 4 S+ 0 0 192 1,-0.1 -1,-0.2 3,-0.0 0, 0.0 0.837 117.8 27.3 -83.3 -35.7 38.7 48.6 10.2 12 12 A N T 4 S+ 0 0 52 -3,-0.3 2,-0.3 -5,-0.2 -2,-0.2 0.394 107.6 80.9-109.6 3.6 41.5 49.4 12.7 13 13 A A < - 0 0 14 -4,-1.5 3,-0.2 1,-0.1 0, 0.0 -0.757 57.0-154.7-110.7 157.7 39.8 51.9 15.0 14 14 A T S S+ 0 0 50 -2,-0.3 293,-0.4 1,-0.1 3,-0.2 0.169 79.6 75.8-116.9 19.0 37.5 51.4 17.9 15 15 A N + 0 0 6 1,-0.1 -1,-0.1 292,-0.1 -5,-0.1 -0.134 66.2 95.2-118.6 38.7 35.6 54.7 18.1 16 16 A F + 0 0 5 -3,-0.2 2,-0.2 -6,-0.1 -1,-0.1 0.232 49.3 121.4-110.1 11.8 33.3 54.1 15.1 17 17 A N - 0 0 57 -3,-0.2 2,-0.3 1,-0.0 107,-0.1 -0.500 57.7-132.7 -74.4 145.6 30.3 52.8 17.0 18 18 A M - 0 0 71 -2,-0.2 102,-0.2 105,-0.1 290,-0.1 -0.740 25.9 -96.7-100.5 150.8 27.2 54.8 16.4 19 19 A V - 0 0 31 100,-1.8 3,-0.3 -2,-0.3 -1,-0.1 -0.315 25.6-132.6 -62.7 144.9 24.9 56.0 19.2 20 20 A A S S+ 0 0 111 1,-0.3 2,-1.4 2,-0.0 -1,-0.1 0.905 102.2 54.0 -66.0 -44.7 21.8 53.8 19.9 21 21 A D S S- 0 0 122 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.579 86.7-171.0 -92.7 72.7 19.4 56.6 20.0 22 22 A S - 0 0 43 -2,-1.4 -2,-0.0 -3,-0.3 98,-0.0 -0.334 26.8-166.4 -68.6 144.0 20.3 58.1 16.6 23 23 A K + 0 0 150 93,-0.1 2,-0.4 -2,-0.1 -1,-0.1 0.083 60.4 107.2-112.6 17.4 19.0 61.5 15.5 24 24 A T - 0 0 20 96,-0.0 2,-0.7 2,-0.0 -2,-0.1 -0.851 65.9-139.8-104.6 131.6 20.1 60.8 11.9 25 25 A A - 0 0 90 -2,-0.4 2,-0.6 7,-0.0 10,-0.1 -0.798 25.3-156.1 -87.1 118.4 17.8 60.0 9.1 26 26 A V + 0 0 68 -2,-0.7 2,-0.1 9,-0.0 3,-0.1 -0.876 27.0 146.4-105.2 122.5 19.6 57.3 7.1 27 27 A G - 0 0 18 -2,-0.6 5,-0.0 1,-0.4 -1,-0.0 -0.276 57.2 -31.3-124.4-148.6 18.8 56.7 3.4 28 28 A S > - 0 0 38 -2,-0.1 4,-2.7 1,-0.1 -1,-0.4 -0.295 64.7-107.1 -68.2 161.0 20.8 55.6 0.4 29 29 A T H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.868 123.0 55.6 -58.0 -35.8 24.5 56.6 0.4 30 30 A L H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.945 110.8 43.4 -61.3 -47.5 23.7 59.1 -2.3 31 31 A E H > S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.858 113.7 52.3 -66.2 -35.1 21.1 60.7 -0.0 32 32 A N H X S+ 0 0 2 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.886 106.5 52.2 -69.3 -38.9 23.4 60.5 3.0 33 33 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.916 112.4 46.6 -62.6 -41.0 26.2 62.2 1.1 34 34 A K H X S+ 0 0 58 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.889 111.8 50.6 -67.1 -39.3 23.8 65.0 0.3 35 35 A A H X S+ 0 0 42 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.903 110.2 50.1 -65.1 -40.2 22.6 65.1 3.9 36 36 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.922 110.5 49.7 -63.8 -43.2 26.2 65.4 5.1 37 37 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.926 110.5 49.9 -61.6 -43.8 26.8 68.2 2.6 38 38 A A H X S+ 0 0 44 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.923 113.2 47.1 -60.5 -43.4 23.7 70.0 3.8 39 39 A G H X S+ 0 0 33 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.916 113.3 47.0 -65.0 -43.7 24.9 69.6 7.4 40 40 A E H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 -1,-0.2 0.827 108.5 55.7 -68.2 -31.1 28.4 70.7 6.7 41 41 A T H X S+ 0 0 22 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.906 110.6 46.0 -66.2 -39.2 27.0 73.7 4.8 42 42 A G H X S+ 0 0 26 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.925 112.5 50.2 -67.1 -43.6 25.1 74.6 7.9 43 43 A A H X S+ 0 0 8 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.912 109.5 51.2 -60.8 -43.8 28.2 74.0 10.1 44 44 A H H X S+ 0 0 57 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.915 112.4 45.5 -60.8 -43.4 30.3 76.2 7.8 45 45 A A H X S+ 0 0 20 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.902 114.0 51.1 -65.7 -40.1 27.8 79.0 8.0 46 46 A K H X S+ 0 0 44 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.955 112.8 43.0 -61.2 -52.9 27.5 78.5 11.8 47 47 A Y H X S+ 0 0 1 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.844 112.2 54.0 -65.6 -33.6 31.3 78.6 12.4 48 48 A T H X S+ 0 0 69 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.922 111.8 45.4 -66.3 -41.5 31.7 81.6 10.0 49 49 A A H X S+ 0 0 21 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.885 112.6 51.1 -67.5 -38.9 29.0 83.4 12.1 50 50 A F H X S+ 0 0 4 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.865 108.6 51.5 -66.8 -35.7 30.7 82.3 15.3 51 51 A A H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.922 109.7 49.5 -66.1 -44.2 34.1 83.6 14.1 52 52 A K H X S+ 0 0 129 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.937 114.0 45.6 -59.6 -47.4 32.5 87.0 13.2 53 53 A A H X S+ 0 0 7 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.913 109.3 55.8 -63.0 -42.8 30.9 87.1 16.7 54 54 A A H <>S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 4,-0.5 0.897 107.1 49.1 -57.7 -42.7 34.2 86.0 18.4 55 55 A R H ><5S+ 0 0 119 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.916 112.7 47.2 -64.3 -41.1 36.1 88.9 16.8 56 56 A E H 3<5S+ 0 0 131 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.783 111.3 53.0 -69.5 -26.4 33.5 91.4 17.9 57 57 A Q T 3<5S- 0 0 73 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.485 121.3-108.0 -87.2 -4.5 33.5 89.8 21.3 58 58 A G T < 5S+ 0 0 65 -3,-1.0 2,-0.8 -4,-0.5 -3,-0.2 0.626 81.6 122.7 89.8 14.2 37.3 90.2 21.6 59 59 A Y >< + 0 0 44 -5,-2.9 4,-2.2 1,-0.2 5,-0.1 -0.707 25.6 165.8-109.6 80.3 38.4 86.6 21.2 60 60 A E H > S+ 0 0 93 -2,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.903 75.1 49.0 -62.3 -44.1 40.8 86.7 18.2 61 61 A Q H > S+ 0 0 15 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.929 112.5 47.6 -64.0 -44.0 42.3 83.3 18.7 62 62 A I H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.888 108.6 56.0 -63.9 -35.7 39.0 81.6 19.1 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.925 106.8 50.1 -60.0 -43.0 37.8 83.5 16.0 64 64 A R H X S+ 0 0 24 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.848 108.2 52.9 -64.4 -34.2 40.7 81.9 14.1 65 65 A L H X S+ 0 0 1 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.933 109.9 47.6 -66.8 -44.3 39.8 78.5 15.5 66 66 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.891 112.9 49.7 -62.1 -38.8 36.2 79.0 14.2 67 67 A E H X S+ 0 0 58 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.908 111.5 47.9 -66.3 -42.1 37.6 80.1 10.8 68 68 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.908 113.6 47.3 -65.6 -41.2 39.9 77.1 10.6 69 69 A T H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.880 108.9 53.8 -69.5 -36.3 37.1 74.7 11.5 70 70 A A H X S+ 0 0 4 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.937 109.3 49.6 -60.9 -42.9 34.8 76.4 9.0 71 71 A A H X S+ 0 0 15 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.866 107.9 54.5 -63.1 -35.2 37.6 75.8 6.4 72 72 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.911 106.6 49.8 -65.0 -42.1 37.7 72.1 7.6 73 73 A E H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.854 107.4 55.4 -65.7 -32.4 34.0 71.7 7.0 74 74 A L H X S+ 0 0 97 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.870 105.3 52.1 -66.8 -36.5 34.5 73.2 3.5 75 75 A I H X S+ 0 0 37 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.926 109.3 50.2 -64.0 -43.0 37.1 70.5 2.9 76 76 A H H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.931 109.2 51.0 -60.0 -45.9 34.6 67.9 3.9 77 77 A I H X S+ 0 0 11 -4,-2.6 4,-3.5 1,-0.2 5,-0.3 0.925 108.8 52.7 -57.4 -44.4 32.0 69.4 1.6 78 78 A G H X S+ 0 0 39 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.914 110.9 45.4 -58.2 -45.5 34.6 69.2 -1.2 79 79 A L H X S+ 0 0 53 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.900 118.3 42.9 -65.6 -41.3 35.2 65.5 -0.6 80 80 A E H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.891 113.1 51.7 -72.7 -40.5 31.5 64.7 -0.4 81 81 A Y H X S+ 0 0 76 -4,-3.5 4,-3.3 -5,-0.3 5,-0.3 0.919 104.2 57.5 -62.3 -44.4 30.5 66.9 -3.3 82 82 A A H X S+ 0 0 60 -4,-2.2 4,-1.2 -5,-0.3 -1,-0.2 0.889 111.4 43.3 -53.8 -40.3 33.2 65.2 -5.5 83 83 A L H X S+ 0 0 11 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.914 113.7 49.1 -73.5 -43.7 31.5 61.9 -4.8 84 84 A V H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.913 108.2 55.1 -61.8 -42.2 27.9 63.1 -5.2 85 85 A A H < S+ 0 0 21 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.871 107.3 50.3 -58.6 -38.1 28.8 64.8 -8.5 86 86 A E H < S+ 0 0 124 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.862 115.4 42.3 -68.4 -35.0 30.1 61.4 -9.8 87 87 A M H < S+ 0 0 63 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.558 139.9 10.6 -86.9 -10.8 26.9 59.7 -8.7 88 88 A E S >< S- 0 0 71 -4,-1.4 3,-2.2 -5,-0.2 -1,-0.3 -0.444 72.0-165.6-169.1 81.7 24.8 62.6 -10.0 89 89 A P T 3 S+ 0 0 108 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.719 85.9 52.1 -43.6 -38.7 26.9 65.2 -12.2 90 90 A G T 3 S+ 0 0 71 2,-0.1 -5,-0.1 -5,-0.0 0, 0.0 0.426 77.9 135.8 -86.5 2.8 24.3 68.0 -12.2 91 91 A Y < - 0 0 22 -3,-2.2 2,-0.5 -7,-0.2 -3,-0.1 -0.189 42.5-150.5 -52.7 136.2 23.9 68.0 -8.4 92 92 A E - 0 0 169 -7,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.950 15.9-120.5-115.2 129.0 23.9 71.5 -6.9 93 93 A K - 0 0 86 -2,-0.5 -59,-0.0 1,-0.1 -55,-0.0 -0.380 33.6-115.8 -65.8 141.5 25.1 72.1 -3.4 94 94 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.218 20.3-137.1 -74.4 166.8 22.5 73.6 -1.0 95 95 A T 0 0 135 -53,-0.0 -53,-0.1 -2,-0.0 -54,-0.0 -0.907 360.0 360.0-123.3 152.5 22.6 77.1 0.6 96 96 A V 0 0 114 -2,-0.3 -58,-0.0 -55,-0.2 0, 0.0 -0.923 360.0 360.0-124.5 360.0 21.7 78.0 4.2 97 ! 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 98 99 A P 0 0 105 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 156.0 22.5 81.1 11.7 99 100 A S - 0 0 87 1,-0.0 2,-0.4 -49,-0.0 -49,-0.1 -0.516 360.0-157.3 -74.2 133.8 22.1 82.7 15.1 100 101 A A + 0 0 45 -2,-0.2 2,-0.1 -51,-0.1 3,-0.1 -0.870 12.3 179.0-112.2 146.9 25.2 83.5 17.1 101 102 A Y - 0 0 134 -2,-0.4 5,-0.1 1,-0.3 -1,-0.0 -0.355 48.1 -33.4-124.3-157.6 25.4 83.9 20.9 102 103 A S > - 0 0 35 -2,-0.1 4,-2.3 1,-0.1 -1,-0.3 -0.297 64.5-109.1 -64.4 153.2 28.2 84.5 23.4 103 104 A C H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.884 116.7 50.7 -50.4 -48.9 31.6 83.0 22.5 104 105 A D H > S+ 0 0 2 112,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.923 112.0 47.5 -59.7 -43.0 31.6 80.4 25.2 105 106 A L H > S+ 0 0 25 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.859 109.3 54.1 -66.8 -33.9 28.1 79.2 24.2 106 107 A N H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.887 106.5 51.9 -67.2 -37.0 29.2 79.1 20.5 107 108 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.909 112.1 46.6 -64.1 -40.7 32.1 76.9 21.4 108 109 A I H X S+ 0 0 1 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.919 111.2 50.5 -67.1 -44.2 29.7 74.6 23.2 109 110 A S H X S+ 0 0 43 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.910 112.6 48.8 -59.7 -40.7 27.2 74.6 20.3 110 111 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.956 110.7 49.4 -63.2 -49.2 30.1 73.8 18.1 111 112 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.915 110.7 50.6 -56.7 -44.8 31.3 71.0 20.3 112 113 A N H X S+ 0 0 66 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.897 111.3 47.7 -62.5 -40.0 27.8 69.5 20.5 113 114 A G H X S+ 0 0 17 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.922 112.0 49.8 -66.2 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A - 0 0 90 -2,-0.5 2,-0.5 7,-0.0 -2,-0.1 -0.696 23.6-156.4 -80.4 125.8 14.6 72.9 36.3 228 26 B V + 0 0 71 -2,-0.5 2,-0.1 99,-0.0 3,-0.1 -0.926 24.3 153.3-112.8 120.9 15.7 75.7 38.7 229 27 B G - 0 0 20 -2,-0.5 102,-0.0 1,-0.4 5,-0.0 -0.201 56.5 -35.6-117.4-150.2 14.3 76.0 42.2 230 28 B S > - 0 0 42 -2,-0.1 4,-2.8 1,-0.1 -1,-0.4 -0.291 64.8-106.3 -68.3 162.2 15.6 77.6 45.4 231 29 B T H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.884 123.5 55.1 -59.1 -36.1 19.4 77.2 45.9 232 30 B L H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.937 110.3 45.0 -61.1 -46.2 18.7 74.6 48.5 233 31 B E H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.891 112.8 51.9 -64.1 -39.3 16.6 72.6 46.0 234 32 B N H X S+ 0 0 3 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.881 106.1 53.5 -66.0 -38.5 19.3 73.1 43.3 235 33 B L H X S+ 0 0 5 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.925 111.6 46.0 -61.4 -43.1 22.1 71.9 45.7 236 34 B K H X S+ 0 0 58 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.879 111.8 51.5 -66.9 -37.9 20.0 68.7 46.2 237 35 B A H X S+ 0 0 46 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.898 109.9 49.6 -65.7 -40.3 19.4 68.3 42.5 238 36 B A H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.928 109.9 50.6 -64.4 -44.3 23.1 68.7 41.8 239 37 B I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.925 110.9 49.8 -59.7 -42.9 23.9 66.0 44.4 240 38 B A H X S+ 0 0 50 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.939 113.0 46.5 -60.7 -47.1 21.3 63.7 42.8 241 39 B G H X S+ 0 0 35 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.902 113.3 47.9 -62.4 -42.5 22.8 64.3 39.4 242 40 B E H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.814 106.8 57.0 -69.3 -29.9 26.3 63.8 40.6 243 41 B T H X S+ 0 0 19 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.903 110.0 45.6 -66.8 -38.5 25.3 60.6 42.4 244 42 B G H X S+ 0 0 28 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.910 111.7 51.7 -68.8 -41.5 24.1 59.4 39.1 245 43 B A H X S+ 0 0 8 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.904 108.5 51.4 -61.3 -42.1 27.2 60.5 37.3 246 44 B H H X S+ 0 0 58 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.930 111.2 47.1 -61.5 -45.1 29.4 58.7 39.8 247 45 B A H X S+ 0 0 15 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.900 113.6 49.5 -63.4 -40.0 27.4 55.5 39.3 248 46 B K H X S+ 0 0 45 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.948 112.7 44.8 -64.8 -49.2 27.7 55.9 35.6 249 47 B Y H X S+ 0 0 1 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.836 111.2 54.5 -65.3 -32.8 31.4 56.6 35.5 250 48 B T H X S+ 0 0 67 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.917 111.7 44.3 -66.9 -42.0 32.0 53.7 37.9 251 49 B A H X S+ 0 0 19 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.912 112.8 52.1 -67.8 -41.2 30.2 51.4 35.6 252 50 B F H X S+ 0 0 5 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.882 108.4 51.8 -61.6 -38.4 32.0 52.8 32.6 253 51 B A H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.932 109.2 48.7 -64.4 -46.1 35.4 52.2 34.3 254 52 B K H X S+ 0 0 134 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.912 113.9 47.0 -61.1 -41.9 34.6 48.6 35.0 255 53 B A H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.905 108.5 55.2 -66.6 -41.6 33.5 48.1 31.4 256 54 B A H <>S+ 0 0 0 -4,-2.6 5,-3.0 1,-0.2 4,-0.3 0.910 107.8 49.3 -58.4 -43.8 36.6 49.9 30.1 257 55 B R H ><5S+ 0 0 115 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.919 111.1 49.0 -62.7 -43.2 38.8 47.5 32.0 258 56 B E H 3<5S+ 0 0 137 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.865 110.1 53.1 -63.8 -34.3 37.0 44.5 30.7 259 57 B Q T 3<5S- 0 0 78 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.430 122.4-105.5 -82.3 1.2 37.3 45.9 27.2 260 58 B G T < 5S+ 0 0 65 -3,-1.3 2,-0.8 -4,-0.3 -3,-0.2 0.638 83.5 124.0 86.6 14.3 41.0 46.3 27.5 261 59 B Y >< + 0 0 33 -5,-3.0 4,-2.2 -6,-0.2 5,-0.1 -0.670 24.6 162.7-107.6 76.3 41.1 50.1 27.9 262 60 B E H > S+ 0 0 91 -2,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.888 73.5 48.8 -63.2 -42.4 43.0 50.4 31.2 263 61 B Q H > S+ 0 0 14 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.924 112.6 48.1 -65.9 -42.5 44.0 54.0 30.8 264 62 B I H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.894 108.4 55.6 -64.4 -36.6 40.4 55.0 29.9 265 63 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.920 106.9 50.5 -59.9 -42.1 39.2 53.0 32.9 266 64 B R H X S+ 0 0 17 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.861 108.0 52.7 -64.4 -35.1 41.5 55.1 35.1 267 65 B L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.926 109.9 47.7 -66.7 -43.4 40.1 58.3 33.6 268 66 B F H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.892 113.0 49.5 -63.7 -37.6 36.6 57.1 34.4 269 67 B E H X S+ 0 0 63 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.908 111.7 47.9 -68.0 -40.7 37.7 56.2 38.0 270 68 B A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.914 113.7 47.6 -65.6 -41.6 39.4 59.6 38.4 271 69 B T H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.876 108.8 53.2 -69.5 -35.8 36.3 61.4 37.1 272 70 B A H X S+ 0 0 5 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.943 109.4 50.2 -62.0 -43.6 34.0 59.4 39.3 273 71 B A H X S+ 0 0 18 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.877 107.4 54.7 -61.3 -36.7 36.1 60.4 42.3 274 72 B A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.908 105.9 51.0 -63.2 -41.8 35.9 64.0 41.1 275 73 B E H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.856 105.8 56.0 -65.4 -32.2 32.1 63.8 41.1 276 74 B L H X S+ 0 0 90 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.850 105.2 52.2 -67.1 -33.3 32.3 62.5 44.7 277 75 B I H X S+ 0 0 36 -4,-1.5 4,-2.3 -3,-0.2 -2,-0.2 0.908 108.6 50.9 -67.3 -41.3 34.3 65.6 45.6 278 76 B H H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.931 109.0 50.6 -61.2 -45.8 31.5 67.7 44.1 279 77 B I H X S+ 0 0 9 -4,-2.5 4,-3.5 1,-0.2 5,-0.2 0.919 109.1 52.2 -58.2 -43.6 28.9 65.8 46.1 280 78 B G H X S+ 0 0 35 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.911 110.5 46.9 -59.5 -44.1 30.9 66.5 49.3 281 79 B L H X S+ 0 0 48 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.910 117.7 42.3 -64.4 -43.3 31.1 70.2 48.6 282 80 B E H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-0.3 0.908 112.5 53.1 -70.8 -42.6 27.4 70.4 47.8 283 81 B Y H X S+ 0 0 68 -4,-3.5 4,-3.2 -5,-0.2 5,-0.2 0.889 102.1 59.4 -60.3 -41.2 26.3 68.1 50.7 284 82 B A H X S+ 0 0 44 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.890 108.5 45.5 -56.1 -40.6 28.3 70.2 53.2 285 83 B L H X S+ 0 0 26 -4,-1.0 4,-1.1 -3,-0.3 -1,-0.2 0.915 113.7 47.5 -70.1 -43.5 26.1 73.2 52.3 286 84 B V H X S+ 0 0 0 -4,-2.1 4,-3.4 1,-0.2 3,-0.3 0.901 108.0 57.3 -64.0 -40.0 22.8 71.3 52.4 287 85 B A H < S+ 0 0 28 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.839 103.7 52.1 -59.4 -37.7 23.8 69.8 55.7 288 86 B E H < S+ 0 0 126 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.818 118.8 36.7 -69.6 -31.4 24.2 73.2 57.4 289 87 B M H < S+ 0 0 120 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.797 134.4 21.5 -90.7 -33.3 20.8 74.2 56.2 290 88 B E >< - 0 0 70 -4,-3.4 3,-2.1 -5,-0.2 -1,-0.2 -0.724 63.7-177.7-139.9 86.4 19.0 70.9 56.6 291 89 B P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.743 82.8 61.4 -53.9 -29.5 20.7 68.6 59.1 292 90 B G T 3 S+ 0 0 61 2,-0.1 2,-0.1 -5,-0.0 -5,-0.1 0.566 78.2 117.5 -78.1 -7.4 18.2 65.8 58.5 293 91 B Y < - 0 0 25 -3,-2.1 2,-0.4 -7,-0.2 -3,-0.0 -0.389 48.0-162.9 -65.1 133.0 19.2 65.6 54.8 294 92 B E - 0 0 139 -2,-0.1 -2,-0.1 -7,-0.0 -1,-0.0 -0.964 24.6-112.2-119.8 132.9 20.7 62.3 53.7 295 93 B K - 0 0 102 -2,-0.4 -59,-0.0 1,-0.1 2,-0.0 -0.373 39.0-120.7 -61.8 137.2 22.6 61.8 50.5 296 94 B P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.280 17.3-144.8 -77.4 164.9 20.7 59.7 48.0 297 95 B T - 0 0 134 -2,-0.0 2,-0.3 -53,-0.0 -53,-0.1 -0.949 15.6-165.7-127.6 148.4 21.9 56.4 46.5 298 96 B V - 0 0 75 -2,-0.3 2,-0.1 -55,-0.2 -58,-0.0 -0.876 22.7-104.2-132.6 165.8 21.2 55.2 43.0 299 97 B A - 0 0 87 -2,-0.3 -52,-0.1 1,-0.1 0, 0.0 -0.459 43.9 -99.3 -84.7 161.4 21.4 52.0 41.0 300 98 B A - 0 0 80 -2,-0.1 -52,-0.1 1,-0.1 2,-0.1 -0.641 35.5-140.1 -84.0 137.6 24.2 51.4 38.4 301 99 B P - 0 0 59 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.353 31.4 -83.6 -87.6 173.6 23.3 52.1 34.7 302 100 B S - 0 0 79 -2,-0.1 2,-0.4 -50,-0.0 -50,-0.1 -0.481 35.2-145.0 -77.8 149.9 24.5 49.9 31.8 303 101 B A - 0 0 36 -2,-0.1 3,-0.1 -52,-0.1 2,-0.1 -0.952 20.2-176.0-114.0 134.1 27.9 50.5 30.3 304 102 B Y - 0 0 152 -2,-0.4 5,-0.1 1,-0.3 -1,-0.0 -0.104 48.5 -24.7-109.3-150.9 28.2 50.0 26.5 305 103 B S > - 0 0 46 1,-0.1 4,-2.1 -2,-0.1 -1,-0.3 -0.333 66.2-117.0 -61.0 144.4 31.2 50.2 24.2 306 104 B C H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.858 111.9 52.7 -51.8 -44.8 34.0 52.3 25.5 307 105 B D H > S+ 0 0 2 -293,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.929 111.3 46.5 -61.2 -43.3 33.9 54.9 22.8 308 106 B L H > S+ 0 0 30 -3,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.840 109.8 54.5 -67.9 -31.5 30.2 55.5 23.3 309 107 B N H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.903 106.8 51.0 -68.1 -39.1 30.6 55.7 27.0 310 108 B L H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.892 111.9 47.6 -63.4 -38.6 33.2 58.4 26.5 311 109 B I H X S+ 0 0 3 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.915 111.1 50.3 -68.3 -42.4 30.7 60.3 24.3 312 110 B S H X S+ 0 0 47 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.924 112.9 48.0 -60.3 -43.2 28.0 59.8 26.9 313 111 B G H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.950 111.2 49.3 -62.2 -48.7 30.4 61.1 29.5 314 112 B A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.911 111.3 49.6 -58.1 -43.9 31.4 64.1 27.4 315 113 B N H X S+ 0 0 66 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.900 112.0 47.9 -63.7 -39.7 27.7 65.0 26.7 316 114 B G H X S+ 0 0 16 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.922 112.2 49.3 -66.2 -43.3 26.8 64.8 30.4 317 115 B E H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.905 110.7 50.4 -61.8 -43.2 29.8 66.9 31.3 318 116 B I H X S+ 0 0 2 -4,-2.6 4,-2.4 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-5,-0.2 -2,-0.2 0.918 111.4 48.3 -58.8 -45.1 22.9 82.3 38.4 331 129 B K H X S+ 0 0 61 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.908 110.9 50.8 -62.9 -42.1 20.1 81.4 40.8 332 130 B A H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 4,-0.2 0.885 111.1 49.5 -62.6 -38.4 22.6 81.4 43.7 333 131 B Q H ><5S+ 0 0 76 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.936 109.9 49.7 -64.8 -46.8 23.8 84.8 42.6 334 132 B E H 3<5S+ 0 0 122 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.760 114.6 45.6 -64.9 -23.9 20.3 86.2 42.4 335 133 B E T 3<5S- 0 0 91 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.340 112.1-119.1 -99.7 3.8 19.6 84.9 45.9 336 134 B G T < 5 + 0 0 64 -3,-1.4 2,-1.4 -4,-0.2 -3,-0.2 0.737 61.7 148.0 66.7 23.9 22.8 86.1 47.3 337 135 B N >< + 0 0 42 -5,-2.6 4,-2.1 1,-0.2 3,-0.2 -0.660 15.6 171.8 -93.1 82.8 24.1 82.7 48.3 338 136 B S H > S+ 0 0 92 -2,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.819 74.6 57.8 -60.5 -34.7 27.8 83.2 47.9 339 137 B K H > S+ 0 0 122 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 109.6 44.6 -63.1 -42.8 28.7 79.8 49.4 340 138 B A H > S+ 0 0 0 -3,-0.2 4,-3.0 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