==== 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 26-JAN-99 1B71 . COMPND 2 MOLECULE: PROTEIN (RUBRERYTHRIN); . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS SUBSP. VULGARIS . AUTHOR L.C.SIEKER,M.HOLMES,I.LE TRONG,S.TURLEY,B.D.SANTARSIERO,M.-Y . 191 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10394.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 72.8 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 . 13 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 7 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 52.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.6 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 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 1 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 . 1 0 1 0 1 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 1 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 0 127 0, 0.0 2,-0.2 0, 0.0 113,-0.1 0.000 360.0 360.0 360.0-178.3 -23.0 27.6 8.5 2 2 A K - 0 0 144 112,-0.0 2,-0.4 0, 0.0 111,-0.1 -0.745 360.0 -23.8 169.5-117.2 -24.2 29.3 5.3 3 3 A S - 0 0 57 -2,-0.2 4,-0.1 1,-0.1 111,-0.0 -0.996 43.5-156.4-125.2 134.5 -21.9 30.0 2.4 4 4 A L > + 0 0 2 -2,-0.4 3,-2.9 59,-0.2 6,-0.5 0.776 53.6 122.1 -72.2 -35.2 -18.1 30.2 2.7 5 5 A K T 3 S- 0 0 95 1,-0.3 -2,-0.1 5,-0.1 3,-0.1 -0.062 87.4 -0.5 -44.8 113.3 -17.5 32.3 -0.4 6 6 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.241 101.6 125.9 93.2 -10.3 -15.8 35.5 0.5 7 7 A S S <> S- 0 0 16 -3,-2.9 4,-0.8 1,-0.1 -1,-0.3 -0.184 71.3-121.7 -70.4 166.5 -15.6 34.8 4.2 8 8 A R H > S+ 0 0 146 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.846 114.7 60.4 -74.7 -33.1 -12.4 34.9 6.2 9 9 A T H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.895 96.0 62.1 -57.2 -39.7 -13.1 31.3 7.1 10 10 A E H > S+ 0 0 10 -6,-0.5 4,-1.9 1,-0.3 -1,-0.2 0.911 108.2 41.2 -56.0 -43.5 -13.0 30.4 3.4 11 11 A K H X S+ 0 0 92 -4,-0.8 4,-2.2 -3,-0.3 -1,-0.3 0.812 112.3 56.4 -74.2 -26.0 -9.4 31.5 3.2 12 12 A N H X S+ 0 0 22 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.932 107.5 48.1 -70.8 -42.8 -8.6 29.9 6.6 13 13 A I H X S+ 0 0 0 -4,-3.2 4,-3.3 1,-0.2 5,-0.2 0.946 113.5 46.6 -59.5 -49.1 -9.8 26.5 5.3 14 14 A L H X S+ 0 0 39 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.913 112.8 50.5 -64.2 -35.1 -7.8 26.8 2.1 15 15 A T H X S+ 0 0 19 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.930 112.7 45.4 -68.8 -39.2 -4.8 27.9 4.1 16 16 A A H X S+ 0 0 1 -4,-2.9 4,-4.3 2,-0.2 5,-0.4 0.955 112.0 52.1 -63.2 -48.6 -5.1 25.0 6.5 17 17 A F H X S+ 0 0 47 -4,-3.3 4,-2.6 1,-0.2 5,-0.3 0.915 110.9 49.1 -52.3 -41.4 -5.7 22.7 3.5 18 18 A A H X S+ 0 0 20 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.874 115.1 42.4 -70.9 -35.9 -2.5 24.1 2.0 19 19 A G H X S+ 0 0 14 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.917 115.8 48.0 -77.9 -42.3 -0.5 23.6 5.2 20 20 A E H X S+ 0 0 1 -4,-4.3 4,-2.1 1,-0.2 -2,-0.2 0.905 109.3 54.7 -65.2 -34.5 -1.9 20.2 5.9 21 21 A S H X S+ 0 0 42 -4,-2.6 4,-1.7 -5,-0.4 -1,-0.2 0.922 110.3 46.6 -60.9 -39.4 -1.3 19.1 2.3 22 22 A Q H X S+ 0 0 65 -4,-1.3 4,-2.6 -5,-0.3 -1,-0.2 0.878 107.7 56.9 -72.9 -25.7 2.3 20.1 2.7 23 23 A A H X S+ 0 0 0 -4,-1.8 4,-3.4 2,-0.2 5,-0.3 0.863 102.1 55.8 -71.3 -36.2 2.5 18.3 6.1 24 24 A R H X S+ 0 0 94 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.969 110.0 45.7 -58.4 -48.9 1.5 15.1 4.5 25 25 A N H X S+ 0 0 80 -4,-1.7 4,-3.2 2,-0.2 5,-0.3 0.967 114.2 47.2 -59.4 -51.7 4.3 15.3 2.1 26 26 A R H X S+ 0 0 40 -4,-2.6 4,-3.4 1,-0.2 5,-0.2 0.938 111.9 50.0 -61.3 -40.7 6.9 16.3 4.7 27 27 A Y H X S+ 0 0 0 -4,-3.4 4,-3.4 2,-0.2 -1,-0.2 0.938 110.8 50.1 -64.7 -38.4 5.8 13.5 7.0 28 28 A N H X S+ 0 0 61 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.954 114.0 44.9 -62.0 -43.2 6.0 11.0 4.2 29 29 A Y H X S+ 0 0 113 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.908 113.3 50.8 -64.8 -38.1 9.5 12.3 3.4 30 30 A F H X S+ 0 0 5 -4,-3.4 4,-2.2 -5,-0.3 -2,-0.2 0.897 107.9 53.7 -64.9 -40.4 10.3 12.2 7.1 31 31 A G H X S+ 0 0 4 -4,-3.4 4,-2.3 2,-0.2 -2,-0.2 0.894 107.3 50.2 -58.8 -42.3 9.0 8.7 7.3 32 32 A G H X S+ 0 0 39 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.937 111.3 48.9 -65.1 -42.6 11.4 7.6 4.5 33 33 A Q H X S+ 0 0 61 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.886 108.0 54.4 -61.5 -35.6 14.3 9.2 6.2 34 34 A A H X>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 4,-0.9 0.961 106.2 52.2 -67.7 -39.1 13.3 7.5 9.5 35 35 A K H ><5S+ 0 0 112 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.921 111.5 46.4 -56.9 -41.9 13.4 4.1 7.7 36 36 A K H 3<5S+ 0 0 161 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.849 107.7 58.1 -66.2 -32.8 16.9 5.0 6.4 37 37 A D H 3<5S- 0 0 59 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.606 122.1-105.5 -74.7 -13.0 17.8 6.1 9.9 38 38 A G T <<5S+ 0 0 24 -4,-0.9 2,-0.7 -3,-0.7 -3,-0.2 0.607 85.6 119.7 97.2 17.1 17.0 2.7 11.3 39 39 A F >< + 0 0 39 -5,-2.5 4,-2.1 -6,-0.2 -2,-0.1 -0.729 25.7 163.9-117.0 85.7 13.8 3.6 13.0 40 40 A V H > S+ 0 0 14 142,-1.4 4,-2.5 -2,-0.7 5,-0.2 0.887 77.1 51.8 -69.7 -41.3 11.1 1.5 11.4 41 41 A Q H > S+ 0 0 49 141,-0.7 4,-1.5 143,-0.3 -1,-0.2 0.940 114.1 45.1 -61.3 -40.3 8.4 2.0 14.1 42 42 A I H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.879 109.3 57.0 -68.1 -36.6 9.0 5.8 13.8 43 43 A S H X S+ 0 0 12 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.961 108.0 46.7 -56.0 -51.7 8.9 5.5 10.0 44 44 A D H X S+ 0 0 70 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.878 109.0 54.6 -64.9 -28.0 5.5 4.0 10.1 45 45 A I H X S+ 0 0 19 -4,-1.5 4,-3.6 -5,-0.2 5,-0.2 0.934 108.2 48.9 -76.0 -34.6 4.3 6.6 12.6 46 46 A F H X S+ 0 0 0 -4,-2.4 4,-3.7 2,-0.2 5,-0.3 0.987 113.4 47.7 -55.4 -53.0 5.4 9.4 10.2 47 47 A A H X S+ 0 0 32 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.899 112.9 49.1 -56.1 -38.9 3.6 7.5 7.4 48 48 A E H X S+ 0 0 78 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.959 111.7 47.2 -66.4 -45.6 0.6 7.1 9.7 49 49 A T H X S+ 0 0 0 -4,-3.6 4,-3.0 2,-0.2 5,-0.2 0.920 109.7 55.2 -60.0 -41.3 0.6 10.8 10.6 50 50 A A H X S+ 0 0 0 -4,-3.7 4,-2.3 1,-0.2 -1,-0.2 0.950 109.3 47.0 -52.5 -48.5 0.9 11.6 6.9 51 51 A D H X S+ 0 0 66 -4,-2.3 4,-1.2 -5,-0.3 -1,-0.2 0.886 111.2 51.2 -64.6 -35.5 -2.1 9.6 6.2 52 52 A Q H X S+ 0 0 72 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.859 107.3 52.7 -73.1 -33.7 -4.0 11.2 9.0 53 53 A E H X S+ 0 0 0 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.911 104.3 57.6 -61.3 -37.0 -3.0 14.6 7.7 54 54 A R H X S+ 0 0 93 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.902 108.7 46.7 -59.0 -34.0 -4.5 13.5 4.3 55 55 A E H X S+ 0 0 74 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.818 109.5 51.1 -82.6 -29.5 -7.7 12.9 6.1 56 56 A H H X S+ 0 0 30 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.970 113.4 47.1 -66.3 -46.8 -7.7 16.2 8.0 57 57 A A H X S+ 0 0 5 -4,-3.1 4,-3.3 1,-0.2 5,-0.3 0.870 109.0 55.4 -60.8 -37.7 -7.1 17.9 4.6 58 58 A K H X S+ 0 0 113 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.964 106.9 48.1 -63.8 -46.6 -9.9 15.9 3.1 59 59 A R H < S+ 0 0 107 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.955 116.7 43.8 -56.4 -47.3 -12.5 17.0 5.6 60 60 A L H >X S+ 0 0 0 -4,-2.2 3,-2.9 1,-0.2 4,-0.7 0.961 110.4 54.0 -62.6 -47.7 -11.4 20.6 5.2 61 61 A F H >< S+ 0 0 113 -4,-3.3 3,-0.8 1,-0.3 -1,-0.2 0.876 100.1 61.9 -58.8 -35.3 -11.2 20.5 1.4 62 62 A K T 3< S+ 0 0 144 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.656 93.9 65.6 -66.9 -9.3 -14.7 19.2 1.2 63 63 A F T <4 S+ 0 0 27 -3,-2.9 -1,-0.2 -4,-0.3 -59,-0.2 0.863 82.0 94.2 -76.9 -34.4 -15.9 22.4 2.8 64 64 A L << - 0 0 46 -3,-0.8 -54,-0.0 -4,-0.7 -3,-0.0 -0.183 45.5-178.9 -64.8 145.1 -14.9 24.6 -0.1 65 65 A E + 0 0 89 2,-0.0 -1,-0.1 0, 0.0 2,-0.1 0.041 52.8 87.3-123.5 20.9 -17.5 25.4 -2.8 66 66 A G - 0 0 47 1,-0.2 3,-0.1 3,-0.0 2,-0.1 -0.187 65.1-111.5-127.8-163.0 -15.3 27.5 -5.0 67 67 A G S S- 0 0 62 1,-0.4 -1,-0.2 -2,-0.1 2,-0.1 0.063 73.5 -28.2-106.2-147.4 -12.8 28.5 -7.6 68 68 A D - 0 0 168 -2,-0.1 -1,-0.4 2,-0.0 2,-0.3 -0.386 61.2-174.7 -70.2 154.0 -9.3 29.9 -7.3 69 69 A L - 0 0 43 -3,-0.1 2,-0.2 -2,-0.1 -3,-0.0 -0.917 19.7-130.7-161.2 126.4 -8.5 31.8 -4.2 70 70 A E - 0 0 171 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.493 26.3-176.1 -79.7 136.3 -5.4 33.7 -3.1 71 71 A I - 0 0 53 -2,-0.2 2,-0.4 -57,-0.1 -59,-0.0 -0.990 19.4-151.5-135.0 148.2 -3.9 33.2 0.2 72 72 A V + 0 0 141 -2,-0.4 2,-0.3 2,-0.0 -57,-0.0 -0.960 40.9 134.1-109.3 136.9 -1.0 34.7 2.1 73 73 A A - 0 0 45 -2,-0.4 2,-0.3 2,-0.0 -2,-0.1 -0.928 47.2-118.8-176.5 155.8 0.6 32.4 4.5 74 74 A A + 0 0 95 -2,-0.3 -2,-0.0 3,-0.0 -55,-0.0 -0.777 28.8 177.3-109.0 148.5 4.0 31.1 5.7 75 75 A F - 0 0 73 -2,-0.3 2,-0.1 -53,-0.0 -2,-0.0 -0.986 42.3 -84.1-148.7 150.2 5.2 27.5 5.5 76 76 A P - 0 0 74 0, 0.0 2,-1.1 0, 0.0 3,-0.1 -0.428 33.6-148.8 -60.7 130.2 8.4 25.7 6.3 77 77 A A - 0 0 108 -2,-0.1 2,-0.2 2,-0.0 -3,-0.0 -0.728 58.3 -59.6 -98.8 79.0 10.7 26.1 3.4 78 78 A G + 0 0 42 -2,-1.1 -52,-0.0 1,-0.1 2,-0.0 -0.604 51.4 159.0 102.4-176.3 12.4 22.8 4.0 79 79 A I + 0 0 122 -2,-0.2 2,-0.7 -3,-0.1 -1,-0.1 0.617 11.2 177.0-141.6 159.5 13.8 20.9 5.4 80 80 A I + 0 0 81 -2,-0.0 2,-0.1 -51,-0.0 3,-0.1 -0.873 37.0 150.7 -99.8 111.1 14.5 17.1 5.6 81 81 A A - 0 0 33 -2,-0.7 -48,-0.0 1,-0.3 2,-0.0 -0.268 51.0 -41.9-112.8-158.5 17.1 16.4 8.3 82 82 A D > - 0 0 86 -2,-0.1 4,-3.2 1,-0.1 -1,-0.3 -0.208 65.5-101.9 -61.2 158.5 18.0 13.6 10.7 83 83 A T H > S+ 0 0 1 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.930 119.6 51.9 -58.8 -52.2 15.1 11.9 12.3 84 84 A H H > S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.924 114.3 44.7 -44.2 -56.0 15.3 13.6 15.7 85 85 A A H > S+ 0 0 33 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.909 111.8 53.0 -58.4 -41.2 15.4 17.0 14.0 86 86 A N H X S+ 0 0 2 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.928 109.7 49.3 -62.3 -38.1 12.5 15.8 11.8 87 87 A L H X S+ 0 0 0 -4,-3.1 4,-2.1 -5,-0.2 -1,-0.2 0.867 113.1 46.1 -68.9 -35.6 10.5 14.9 14.9 88 88 A I H X S+ 0 0 70 -4,-2.3 4,-3.1 -5,-0.3 5,-0.2 0.934 111.8 48.8 -75.6 -41.0 11.2 18.2 16.6 89 89 A A H X S+ 0 0 59 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.893 113.5 50.2 -58.4 -36.1 10.4 20.3 13.6 90 90 A S H X S+ 0 0 4 -4,-2.0 4,-2.9 -5,-0.3 5,-0.2 0.933 110.7 48.0 -68.9 -43.3 7.2 18.3 13.2 91 91 A A H X S+ 0 0 2 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.926 110.0 52.4 -58.8 -49.7 6.3 18.8 16.9 92 92 A A H X S+ 0 0 59 -4,-3.1 4,-2.5 2,-0.2 5,-0.2 0.935 112.4 44.9 -53.6 -47.1 7.0 22.5 16.7 93 93 A G H X S+ 0 0 25 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.886 112.8 49.6 -71.6 -38.1 4.7 22.8 13.6 94 94 A E H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 5,-0.4 0.917 110.4 55.2 -61.5 -37.7 2.0 20.7 15.2 95 95 A H H X S+ 0 0 76 -4,-3.0 4,-2.9 -5,-0.2 5,-0.4 0.964 107.4 45.0 -62.1 -50.5 2.5 22.9 18.2 96 96 A H H X>S+ 0 0 89 -4,-2.5 4,-2.6 1,-0.2 5,-1.6 0.909 112.8 55.2 -56.0 -43.5 1.8 26.2 16.4 97 97 A E H <>S+ 0 0 19 -4,-2.0 5,-3.1 -5,-0.2 -1,-0.2 0.923 115.3 33.3 -57.0 -49.4 -1.1 24.6 14.7 98 98 A Y H <5S+ 0 0 33 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.835 126.4 40.1 -86.5 -29.6 -3.0 23.4 17.8 99 99 A T H <5S+ 0 0 58 -4,-2.9 -3,-0.2 -5,-0.4 -2,-0.2 0.823 136.2 5.8 -86.0 -26.8 -2.0 26.2 20.1 100 100 A E T X5S+ 0 0 109 -4,-2.6 4,-2.4 -5,-0.4 5,-0.2 0.749 123.2 41.3-114.0 -76.9 -2.3 29.1 17.6 101 101 A M H > S+ 0 0 40 0, 0.0 4,-2.2 0, 0.0 -2,-0.2 0.961 115.0 43.1 -50.1 -50.0 -7.8 28.0 17.9 104 104 A S H X S+ 0 0 33 -4,-2.4 4,-2.1 1,-0.2 3,-0.3 0.985 113.7 49.4 -56.0 -61.9 -8.0 31.3 15.9 105 105 A F H X S+ 0 0 24 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.813 111.7 51.0 -42.5 -40.3 -9.4 29.7 12.8 106 106 A A H X S+ 0 0 2 -4,-2.4 4,-3.1 -5,-0.2 -1,-0.3 0.934 108.1 52.3 -64.7 -48.9 -12.0 28.1 15.0 107 107 A R H X S+ 0 0 119 -4,-2.2 4,-3.2 -3,-0.3 -2,-0.2 0.887 113.1 42.3 -49.2 -58.3 -12.8 31.4 16.7 108 108 A I H < S+ 0 0 18 -4,-2.1 6,-0.2 2,-0.2 -1,-0.2 0.845 112.1 53.7 -61.8 -45.5 -13.4 33.2 13.4 109 109 A A H ><>S+ 0 0 0 -4,-2.3 5,-3.6 -5,-0.3 3,-1.7 0.974 115.7 41.0 -52.3 -56.6 -15.3 30.3 11.9 110 110 A R H ><5S+ 0 0 113 -4,-3.1 3,-1.8 1,-0.3 -2,-0.2 0.933 114.7 53.2 -44.7 -57.8 -17.5 30.5 15.0 111 111 A E T 3<5S+ 0 0 131 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.091 109.8 47.6 -75.6 15.3 -17.4 34.2 14.8 112 112 A E T < 5S- 0 0 38 -3,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.205 124.6 -97.7-132.3 0.9 -18.6 34.1 11.2 113 113 A G T < 5S+ 0 0 36 -3,-1.8 2,-0.7 -4,-0.4 -3,-0.2 0.671 89.9 121.5 91.7 15.1 -21.5 31.7 11.8 114 114 A Y >< + 0 0 3 -5,-3.6 4,-2.2 -6,-0.2 -3,-0.1 -0.621 23.9 154.6-105.6 68.4 -19.6 28.6 10.7 115 115 A E H > + 0 0 93 -2,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.850 68.0 55.3 -76.8 -26.7 -19.8 26.6 13.9 116 116 A E H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.955 111.3 44.8 -65.1 -45.2 -19.5 23.1 12.3 117 117 A I H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.906 110.1 57.7 -61.4 -40.2 -16.3 24.1 10.7 118 118 A A H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.923 105.9 48.2 -54.2 -49.2 -15.4 25.6 14.0 119 119 A R H X S+ 0 0 142 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.891 110.5 52.1 -58.8 -41.3 -15.9 22.2 15.7 120 120 A V H X S+ 0 0 4 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.891 107.6 50.5 -67.3 -40.6 -13.7 20.6 13.0 121 121 A F H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.868 114.5 45.0 -63.7 -38.5 -10.9 23.0 13.5 122 122 A A H X S+ 0 0 45 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.891 112.6 51.7 -72.1 -37.8 -11.0 22.4 17.2 123 123 A S H X S+ 0 0 73 -4,-2.9 4,-1.5 1,-0.2 3,-0.5 0.955 108.6 49.0 -66.0 -48.4 -11.3 18.6 16.7 124 124 A I H X S+ 0 0 11 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.862 104.3 62.3 -52.6 -37.5 -8.2 18.5 14.4 125 125 A A H X S+ 0 0 14 -4,-1.2 4,-2.1 -5,-0.2 -1,-0.2 0.926 99.8 54.1 -54.4 -44.4 -6.4 20.5 17.0 126 126 A V H X S+ 0 0 106 -4,-1.5 4,-1.9 -3,-0.5 3,-0.4 0.955 109.3 47.2 -54.9 -50.7 -6.9 17.6 19.4 127 127 A A H X S+ 0 0 29 -4,-1.5 4,-2.7 1,-0.3 -1,-0.2 0.903 109.4 54.4 -59.6 -38.3 -5.3 15.2 16.9 128 128 A E H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.3 0.846 103.8 55.2 -70.2 -28.3 -2.5 17.5 16.4 129 129 A E H X S+ 0 0 77 -4,-2.1 4,-2.9 -3,-0.4 -1,-0.2 0.946 110.1 45.2 -68.1 -40.2 -1.8 17.6 20.1 130 130 A F H X S+ 0 0 123 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.902 110.3 55.2 -65.8 -37.5 -1.5 13.9 20.2 131 131 A H H X S+ 0 0 2 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.934 110.4 46.4 -58.5 -44.4 0.6 14.0 17.1 132 132 A E H X S+ 0 0 16 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.973 110.5 51.8 -59.5 -51.5 2.9 16.4 18.9 133 133 A K H X S+ 0 0 88 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.908 111.8 47.6 -48.7 -53.0 3.0 14.3 22.0 134 134 A R H X S+ 0 0 29 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.920 110.9 49.5 -56.0 -50.8 3.9 11.2 20.0 135 135 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.875 111.8 51.0 -60.7 -35.0 6.7 13.0 18.0 136 136 A L H X S+ 0 0 42 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.918 107.7 49.0 -72.7 -44.9 8.1 14.3 21.3 137 137 A D H X S+ 0 0 86 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.910 114.1 48.5 -59.1 -40.0 8.3 11.0 23.1 138 138 A F H X S+ 0 0 25 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.926 110.5 49.3 -67.1 -42.7 10.0 9.6 20.1 139 139 A A H X S+ 0 0 2 -4,-2.4 4,-3.2 -5,-0.2 -2,-0.2 0.927 111.6 51.7 -57.6 -43.9 12.4 12.5 19.9 140 140 A R H X S+ 0 0 117 -4,-3.0 4,-3.8 2,-0.2 -2,-0.2 0.965 108.8 47.7 -60.4 -54.7 13.1 12.0 23.6 141 141 A N H <>S+ 0 0 26 -4,-2.9 5,-2.5 2,-0.2 6,-0.6 0.898 113.3 49.4 -54.4 -35.2 13.9 8.2 23.3 142 142 A I H ><5S+ 0 0 36 -4,-2.1 3,-1.1 -5,-0.2 -1,-0.2 0.978 114.6 45.3 -67.1 -47.0 16.1 9.0 20.4 143 143 A K H 3<5S+ 0 0 165 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.944 118.3 41.9 -54.6 -53.4 17.8 11.6 22.5 144 144 A E T 3<5S- 0 0 114 -4,-3.8 -1,-0.2 -5,-0.1 -2,-0.2 0.274 109.6-120.0 -82.0 9.4 18.0 9.4 25.6 145 145 A G T < 5S+ 0 0 53 -3,-1.1 -3,-0.2 -4,-0.5 -4,-0.1 0.873 77.2 124.5 50.4 47.2 19.1 6.3 23.6 146 146 A R < + 0 0 55 -5,-2.5 -4,-0.2 -6,-0.2 3,-0.1 0.144 33.3 100.0-120.3 19.6 16.0 4.3 24.7 147 147 A V S S+ 0 0 25 -6,-0.6 39,-0.1 1,-0.2 -1,-0.1 0.963 103.8 13.3 -67.9 -51.1 14.6 3.4 21.4 148 148 A F S S+ 0 0 36 -7,-0.1 22,-1.6 1,-0.1 2,-0.3 -0.118 127.2 59.8-115.9 24.6 15.9 -0.2 21.4 149 149 A L E -A 169 0A 87 20,-0.3 20,-0.3 -3,-0.1 2,-0.3 -0.919 55.4-177.5-160.7 126.3 17.0 -0.4 25.0 150 150 A R E - 0 0 49 18,-4.0 4,-0.1 -2,-0.3 -3,-0.0 -0.843 35.0-118.2-126.4 165.3 15.1 -0.1 28.3 151 151 A E E S+ 0 0 118 -2,-0.3 2,-0.3 2,-0.1 17,-0.1 0.769 97.7 42.9 -84.7 -20.6 16.3 -0.2 31.9 152 152 A Q E S- 0 0 147 16,-0.2 2,-0.2 15,-0.1 -2,-0.2 -0.836 102.1 -91.5-112.4 163.5 14.3 -3.2 32.9 153 153 A A E + 0 0 66 -2,-0.3 15,-0.3 13,-0.1 2,-0.3 -0.534 61.4 158.6 -64.3 132.7 13.8 -6.4 30.9 154 154 A T E -A 167 0A 47 13,-4.3 13,-3.1 -2,-0.2 2,-0.5 -0.858 42.3 -83.5-144.0-177.1 10.7 -5.9 28.8 155 155 A K E -A 166 0A 98 -2,-0.3 32,-3.8 11,-0.2 2,-0.3 -0.886 35.2-167.2-107.4 133.5 9.1 -7.4 25.7 156 156 A W E -AB 165 186A 0 9,-2.9 9,-2.5 -2,-0.5 2,-0.5 -0.829 8.9-147.5-104.2 136.4 10.0 -6.2 22.2 157 157 A R E -AB 164 185A 81 28,-4.3 28,-2.4 -2,-0.3 2,-0.5 -0.937 13.5-130.2-115.6 134.4 8.1 -7.1 19.1 158 158 A C E > - B 0 184A 0 5,-2.6 4,-2.5 -2,-0.5 26,-0.2 -0.631 14.6-158.4 -68.5 117.2 9.5 -7.5 15.6 159 159 A R T 4 S+ 0 0 71 24,-3.0 -1,-0.2 -2,-0.5 25,-0.1 0.816 88.2 57.1 -73.4 -23.9 7.3 -5.4 13.4 160 160 A N T 4 S+ 0 0 74 23,-0.2 -1,-0.2 1,-0.1 24,-0.1 0.875 130.4 1.2 -75.6 -38.7 8.4 -7.4 10.4 161 161 A C T 4 S- 0 0 58 2,-0.1 -2,-0.2 18,-0.0 -1,-0.1 0.514 92.5-111.4-135.6 0.6 7.3 -10.8 11.6 162 162 A G < + 0 0 35 -4,-2.5 -3,-0.1 1,-0.3 2,-0.0 0.426 56.7 159.0 88.8 2.4 5.7 -10.5 15.0 163 163 A Y - 0 0 81 -5,-0.1 -5,-2.6 -6,-0.1 2,-0.4 -0.397 30.9-143.7 -62.1 133.8 8.4 -12.3 16.8 164 164 A V E -A 157 0A 63 -7,-0.2 2,-0.4 -9,-0.0 -7,-0.2 -0.819 15.5-167.9-110.8 145.2 8.4 -11.4 20.5 165 165 A H E -A 156 0A 45 -9,-2.5 -9,-2.9 -2,-0.4 2,-0.5 -0.985 14.6-146.4-139.4 125.9 11.4 -11.0 22.6 166 166 A E E +A 155 0A 123 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.795 53.7 89.5 -92.7 115.7 12.0 -10.7 26.4 167 167 A G E S-A 154 0A 14 -13,-3.1 -13,-4.3 -2,-0.5 -15,-0.1 -0.977 82.4 -93.0 174.2 173.6 14.9 -8.4 27.4 168 168 A T E S+ 0 0 65 -15,-0.3 -18,-4.0 -2,-0.3 2,-0.3 0.811 109.8 31.7 -76.9 -31.1 16.1 -4.9 28.3 169 169 A G E S-A 149 0A 16 -20,-0.3 -20,-0.3 -3,-0.1 -13,-0.2 -0.833 90.0-102.5-123.5 156.6 17.0 -4.3 24.6 170 170 A A - 0 0 9 -22,-1.6 2,-0.1 -2,-0.3 11,-0.1 -0.411 50.1 -97.7 -72.3 160.8 15.7 -5.4 21.2 171 171 A P - 0 0 22 0, 0.0 13,-0.2 0, 0.0 3,-0.1 -0.442 21.4-123.3 -78.1 157.7 17.8 -8.1 19.5 172 172 A E S S+ 0 0 152 1,-0.2 9,-1.0 8,-0.1 2,-0.3 0.620 99.2 15.1 -72.3 -11.0 20.4 -7.2 16.8 173 173 A L B S-C 180 0B 99 7,-0.3 -1,-0.2 8,-0.1 6,-0.1 -0.953 88.9-105.4-162.1 135.9 18.5 -9.5 14.5 174 174 A C > - 0 0 2 5,-3.4 4,-2.0 -2,-0.3 5,-0.0 -0.546 19.6-150.2 -72.3 122.1 15.2 -11.2 14.6 175 175 A P T 4 S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.802 96.6 42.6 -55.5 -28.6 15.6 -14.8 15.4 176 176 A A T 4 S+ 0 0 64 3,-0.1 -2,-0.1 1,-0.1 -14,-0.0 0.964 132.0 12.8 -87.3 -61.7 12.4 -15.4 13.3 177 177 A C T 4 S- 0 0 32 2,-0.1 -1,-0.1 3,-0.0 -3,-0.0 0.499 90.1-128.2 -98.4 -4.4 12.6 -13.3 10.2 178 178 A A < + 0 0 60 -4,-2.0 -1,-0.0 1,-0.2 0, 0.0 0.676 59.3 142.5 66.2 14.9 16.3 -12.3 10.3 179 179 A H - 0 0 70 1,-0.1 -5,-3.4 -6,-0.1 -1,-0.2 -0.545 53.5 -97.7 -80.0 155.6 15.5 -8.6 10.0 180 180 A P B > -C 173 0B 62 0, 0.0 3,-2.7 0, 0.0 -7,-0.3 -0.167 35.4 -92.2 -77.7 168.5 17.6 -6.1 12.0 181 181 A K G > S+ 0 0 59 -9,-1.0 3,-2.7 1,-0.3 -8,-0.1 0.739 113.5 79.2 -49.0 -29.3 16.9 -4.4 15.3 182 182 A A G 3 S+ 0 0 18 1,-0.3 -142,-1.4 -10,-0.2 -141,-0.7 0.763 87.3 58.4 -53.9 -28.7 15.4 -1.4 13.5 183 183 A H G < S+ 0 0 38 -3,-2.7 -24,-3.0 -143,-0.2 -1,-0.3 0.491 88.1 102.6 -82.4 -4.2 12.2 -3.4 13.0 184 184 A F E < +B 158 0A 0 -3,-2.7 -143,-0.3 -26,-0.2 2,-0.3 -0.556 43.0 171.8 -87.0 144.4 11.7 -3.9 16.8 185 185 A E E -B 157 0A 22 -28,-2.4 -28,-4.3 -2,-0.2 2,-0.2 -0.930 44.8 -84.1-137.8 163.3 9.4 -2.0 19.0 186 186 A L E -B 156 0A 55 -2,-0.3 -30,-0.3 -30,-0.3 2,-0.2 -0.485 57.4-107.0 -63.2 133.7 8.2 -2.2 22.6 187 187 A L - 0 0 56 -32,-3.8 2,-0.3 -22,-0.2 -32,-0.2 -0.507 47.6-171.8 -68.7 136.0 5.4 -4.8 22.7 188 188 A G - 0 0 44 -2,-0.2 2,-0.4 -3,-0.0 -3,-0.0 -0.911 19.4-161.6-129.9 154.9 2.2 -2.9 23.1 189 189 A I + 0 0 100 -2,-0.3 -2,-0.0 1,-0.0 0, 0.0 -0.993 15.4 165.6-134.8 123.7 -1.4 -3.9 23.7 190 190 A N 0 0 147 -2,-0.4 -1,-0.0 0, 0.0 -2,-0.0 -0.361 360.0 360.0-139.2 56.0 -4.3 -1.6 23.1 191 191 A W 0 0 251 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.950 360.0 360.0-153.2 360.0 -7.5 -3.7 23.1