==== 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 SIGNALING PROTEIN 21-SEP-04 1XIO . COMPND 2 MOLECULE: ANABAENA SENSORY RHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP. PCC 7120; . AUTHOR L.VOGELEY,H.LUECKE . 217 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 84.3 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 1 0 1 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 M 0 0 169 0, 0.0 54,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 115.2 26.4 45.8 27.5 2 2 A N > - 0 0 107 1,-0.1 4,-1.9 4,-0.0 5,-0.1 -0.137 360.0 -91.0 -83.1-175.4 26.5 45.9 23.7 3 3 A L H > S+ 0 0 95 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.894 123.2 52.8 -67.4 -42.1 25.3 43.2 21.3 4 4 A E H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.927 110.3 48.0 -60.5 -45.7 28.7 41.4 21.1 5 5 A S H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.928 112.5 49.9 -60.3 -45.1 29.1 41.2 24.8 6 6 A L H X S+ 0 0 74 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.930 109.9 49.7 -59.6 -47.6 25.5 39.8 25.0 7 7 A L H X S+ 0 0 25 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.920 111.5 49.6 -58.7 -43.3 26.2 37.2 22.4 8 8 A H H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.876 109.6 51.1 -64.8 -37.9 29.3 36.1 24.2 9 9 A W H X S+ 0 0 88 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.864 109.9 49.4 -66.8 -37.2 27.5 35.8 27.5 10 10 A I H X S+ 0 0 104 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.894 110.4 51.4 -68.0 -38.0 24.8 33.7 25.9 11 11 A Y H X S+ 0 0 9 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.923 108.3 51.5 -63.4 -43.4 27.6 31.5 24.4 12 12 A V H X S+ 0 0 17 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.870 108.8 51.5 -60.4 -37.3 29.1 31.2 27.9 13 13 A A H X S+ 0 0 48 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.929 109.3 50.6 -65.1 -44.7 25.7 30.1 29.2 14 14 A G H X S+ 0 0 16 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.927 110.3 48.4 -58.4 -47.8 25.5 27.5 26.4 15 15 A M H X S+ 0 0 1 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.913 110.9 52.2 -59.1 -43.5 29.0 26.1 27.3 16 16 A T H X S+ 0 0 71 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.912 110.5 45.9 -60.0 -46.7 28.1 26.0 31.0 17 17 A I H X S+ 0 0 118 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.927 114.0 50.2 -63.4 -43.9 24.9 24.0 30.4 18 18 A G H X S+ 0 0 3 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.947 111.4 47.5 -59.2 -49.2 26.8 21.7 28.0 19 19 A A H X S+ 0 0 11 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.921 111.1 50.8 -58.6 -46.3 29.6 21.1 30.5 20 20 A L H X S+ 0 0 94 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.878 109.9 51.7 -59.9 -38.6 27.1 20.4 33.3 21 21 A H H X S+ 0 0 60 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.936 110.0 46.4 -65.7 -46.7 25.3 17.9 31.1 22 22 A F H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.872 111.5 53.7 -64.8 -33.9 28.5 16.0 30.2 23 23 A W H X S+ 0 0 145 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.925 109.2 48.1 -65.1 -42.5 29.5 16.0 33.9 24 24 A S H >< S+ 0 0 79 -4,-2.2 3,-0.7 1,-0.2 4,-0.5 0.904 109.9 52.0 -64.7 -41.0 26.1 14.5 34.8 25 25 A L H >< S+ 0 0 17 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.869 101.8 60.9 -63.4 -36.0 26.4 11.8 32.1 26 26 A S H 3< S+ 0 0 2 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.782 94.0 63.8 -62.8 -26.2 29.8 10.9 33.5 27 27 A R T << S+ 0 0 175 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.735 114.5 32.2 -69.3 -22.0 28.2 10.0 36.8 28 28 A N S < S+ 0 0 98 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.1 -0.587 81.0 178.8-133.7 68.9 26.3 7.2 35.0 29 29 A P > - 0 0 47 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.678 16.0-157.7 -42.9 -37.9 28.9 6.3 32.3 30 30 A R T 3 S- 0 0 77 1,-0.2 187,-0.2 -4,-0.1 -4,-0.0 0.881 75.9 -39.3 52.7 43.0 26.9 3.5 30.6 31 31 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.2 186,-0.0 183,-0.0 0.453 110.0 120.4 90.6 0.4 30.0 1.9 29.1 32 32 A V < - 0 0 5 -3,-1.1 -1,-0.3 -6,-0.0 5,-0.0 -0.858 64.6-117.9-102.4 129.7 31.9 5.0 28.2 33 33 A P >> - 0 0 36 0, 0.0 4,-1.1 0, 0.0 3,-0.9 -0.298 20.0-119.9 -65.1 148.0 35.4 5.6 29.7 34 34 A Q H 3> S+ 0 0 71 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.809 107.1 66.1 -58.2 -34.4 35.9 8.7 32.0 35 35 A Y H 3> S+ 0 0 88 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.870 100.5 50.9 -60.4 -32.8 38.7 10.2 29.8 36 36 A E H <> S+ 0 0 0 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.902 112.4 46.8 -69.5 -38.3 36.2 10.7 27.0 37 37 A Y H X S+ 0 0 0 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.896 109.9 53.8 -68.1 -40.7 33.8 12.4 29.4 38 38 A L H X S+ 0 0 101 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.882 110.3 45.3 -63.0 -40.6 36.6 14.6 30.9 39 39 A V H X S+ 0 0 17 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.914 110.3 55.0 -69.6 -40.3 37.7 15.9 27.5 40 40 A A H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.849 113.2 43.4 -59.8 -33.6 34.0 16.5 26.6 41 41 A M H X S+ 0 0 23 -4,-1.8 4,-1.3 2,-0.1 -2,-0.2 0.902 111.0 53.1 -77.4 -43.5 33.8 18.6 29.8 42 42 A F H X S+ 0 0 94 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.852 100.2 62.4 -60.5 -40.4 37.1 20.5 29.4 43 43 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.946 108.0 38.8 -53.7 -58.0 36.4 21.7 25.9 44 44 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.810 115.7 54.7 -66.6 -27.0 33.3 23.9 26.7 45 45 A I H X S+ 0 0 83 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.941 111.0 43.5 -69.5 -47.5 34.9 25.0 29.9 46 46 A W H X S+ 0 0 82 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.921 117.9 46.0 -63.0 -44.0 38.0 26.3 28.2 47 47 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.905 111.7 51.5 -66.5 -42.1 35.9 27.9 25.4 48 48 A G H X S+ 0 0 8 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.879 109.5 49.8 -62.5 -38.5 33.5 29.4 27.9 49 49 A L H X S+ 0 0 94 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.917 110.9 50.1 -66.2 -42.1 36.4 31.0 29.8 50 50 A A H X S+ 0 0 13 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.922 114.0 44.0 -61.7 -45.6 37.8 32.4 26.6 51 51 A Y H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.806 108.5 58.0 -70.5 -29.5 34.5 33.9 25.6 52 52 A M H X S+ 0 0 74 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.879 104.0 53.5 -66.3 -36.9 33.9 35.2 29.1 53 53 A A H X S+ 0 0 53 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.904 112.3 43.7 -64.0 -40.1 37.1 37.1 28.8 54 54 A M H < S+ 0 0 22 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.886 110.9 54.3 -72.6 -38.1 35.8 38.7 25.6 55 55 A A H < S+ 0 0 3 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.920 113.0 43.3 -60.6 -44.6 32.4 39.4 27.0 56 56 A I H < 0 0 121 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.974 360.0 360.0 -64.7 -56.3 33.9 41.3 29.9 57 57 A D < 0 0 174 -4,-2.1 -3,-0.0 -5,-0.2 -52,-0.0 0.170 360.0 360.0 -67.6 360.0 36.5 43.2 27.9 58 ! 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 59 67 A I > 0 0 92 0, 0.0 3,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 163.7 43.4 42.2 16.5 60 68 A A T 3 + 0 0 51 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.550 360.0 13.0 -85.8 151.7 39.8 41.8 17.6 61 69 A H T >> S+ 0 0 25 -2,-0.2 3,-1.2 1,-0.1 4,-0.5 0.878 71.8 163.4 52.1 45.1 38.7 38.6 19.4 62 70 A Y H X> + 0 0 111 -3,-0.5 3,-1.9 1,-0.3 4,-0.9 0.918 68.1 62.1 -57.8 -44.8 42.2 37.5 20.1 63 71 A A H 3> S+ 0 0 24 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.698 88.5 71.5 -55.6 -22.8 41.1 35.0 22.8 64 72 A R H <> S+ 0 0 8 -3,-1.2 4,-2.2 1,-0.2 -1,-0.3 0.862 98.4 48.4 -63.7 -34.6 39.0 33.2 20.2 65 73 A Y H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 3,-1.5 0.985 111.4 45.3 -67.3 -58.8 40.3 28.9 22.6 68 76 A W H 3X S+ 0 0 19 -4,-2.2 4,-1.7 1,-0.3 -2,-0.2 0.789 100.3 69.5 -55.2 -35.0 40.8 27.0 19.2 69 77 A M H 3< S+ 0 0 60 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.854 117.6 21.9 -52.8 -37.6 44.5 26.4 20.0 70 78 A V H S+ 0 0 7 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.894 114.3 52.3 -67.7 -31.8 43.0 19.4 18.9 74 82 A L H X S+ 0 0 29 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.868 106.1 53.1 -68.0 -36.2 40.9 18.1 21.8 75 83 A L H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.868 109.8 48.7 -66.3 -34.9 37.9 17.7 19.6 76 84 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.862 108.9 53.4 -71.5 -34.8 40.1 15.6 17.3 77 85 A L H X S+ 0 0 16 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.949 111.2 46.2 -62.5 -47.4 41.3 13.6 20.3 78 86 A S H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.927 113.6 48.1 -60.3 -46.0 37.6 12.9 21.2 79 87 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.894 111.9 51.0 -62.3 -39.3 36.8 12.0 17.6 80 88 A S H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.884 106.6 52.8 -65.5 -41.8 39.8 9.7 17.4 81 89 A W H < S+ 0 0 18 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.882 109.1 50.5 -61.7 -39.6 38.9 7.9 20.6 82 90 A T H >< S+ 0 0 0 -4,-1.8 3,-1.9 1,-0.2 4,-0.2 0.936 107.2 53.1 -64.2 -46.4 35.5 7.2 19.2 83 91 A A H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.811 120.1 34.7 -58.6 -30.5 36.9 5.8 16.0 84 92 A M T >< S+ 0 0 0 -4,-1.5 3,-1.7 1,-0.1 -1,-0.3 -0.042 80.8 135.8-114.4 29.6 39.1 3.5 18.1 85 93 A Q T < S+ 0 0 20 -3,-1.9 -1,-0.1 1,-0.3 -2,-0.1 0.819 77.9 29.6 -45.8 -47.1 36.5 2.9 20.8 86 94 A F T 3 S+ 0 0 114 -4,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.202 117.2 58.2-105.9 17.6 36.9 -0.8 21.1 87 95 A I S < S- 0 0 53 -3,-1.7 2,-0.1 1,-0.1 -3,-0.1 -0.750 96.7 -63.4-134.2-178.7 40.6 -1.2 20.1 88 96 A K - 0 0 189 -2,-0.2 2,-0.4 1,-0.1 -2,-0.1 -0.451 58.4-109.8 -68.6 137.6 44.1 -0.0 21.1 89 97 A K - 0 0 33 -2,-0.1 2,-1.5 1,-0.1 3,-0.1 -0.574 18.1-142.5 -74.6 123.1 44.6 3.7 20.8 90 98 A D > - 0 0 46 -2,-0.4 4,-1.9 1,-0.2 3,-0.3 -0.694 23.5-180.0 -84.6 88.5 46.9 4.7 17.9 91 99 A W H > S+ 0 0 152 -2,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.754 74.8 59.3 -65.6 -25.1 48.6 7.6 19.7 92 100 A T H > S+ 0 0 116 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 107.9 45.7 -70.1 -40.3 50.9 8.4 16.8 93 101 A L H > S+ 0 0 20 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.902 112.9 51.1 -66.7 -41.2 47.8 9.0 14.6 94 102 A I H X S+ 0 0 2 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.916 110.7 48.2 -62.8 -43.2 46.2 11.0 17.3 95 103 A G H X S+ 0 0 28 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.906 109.4 53.4 -64.2 -41.6 49.3 13.2 17.7 96 104 A F H X S+ 0 0 90 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.958 112.4 43.8 -57.4 -51.8 49.6 13.7 14.0 97 105 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.927 115.3 48.4 -60.8 -46.0 46.0 15.0 13.8 98 106 A M H X S+ 0 0 43 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.927 114.9 43.1 -62.5 -46.9 46.3 17.1 16.9 99 107 A S H X S+ 0 0 75 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.909 112.9 52.8 -67.1 -41.5 49.5 18.8 15.9 100 108 A T H X S+ 0 0 19 -4,-2.6 4,-1.2 -5,-0.3 -1,-0.2 0.904 108.4 51.0 -61.3 -39.3 48.4 19.3 12.3 101 109 A Q H X S+ 0 0 4 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.851 105.0 56.4 -66.3 -33.8 45.2 21.0 13.6 102 110 A I H X S+ 0 0 55 -4,-1.6 4,-2.9 1,-0.2 5,-0.2 0.874 102.7 55.8 -65.0 -33.9 47.3 23.3 15.8 103 111 A V H X S+ 0 0 66 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.862 103.2 56.0 -63.8 -36.0 49.1 24.4 12.6 104 112 A V H X S+ 0 0 22 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.970 111.6 42.0 -60.2 -52.1 45.7 25.3 11.1 105 113 A I H X S+ 0 0 11 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.931 114.5 48.9 -62.3 -48.3 45.0 27.6 14.0 106 114 A T H X S+ 0 0 50 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.887 111.0 51.7 -61.8 -35.9 48.5 29.2 14.2 107 115 A S H X S+ 0 0 2 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.900 109.8 50.9 -65.6 -37.9 48.4 29.8 10.4 108 116 A G H X S+ 0 0 15 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.923 111.0 47.1 -64.6 -44.5 45.1 31.5 10.9 109 117 A L H X S+ 0 0 22 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.919 111.4 50.0 -63.7 -45.8 46.3 33.8 13.7 110 118 A I H X S+ 0 0 58 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.916 110.0 52.1 -59.6 -42.1 49.5 34.7 11.8 111 119 A A H >< S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.923 110.5 47.1 -59.3 -44.6 47.3 35.5 8.7 112 120 A D H 3< S+ 0 0 16 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.782 112.7 50.4 -68.6 -27.1 45.1 37.8 10.9 113 121 A L H 3< S+ 0 0 97 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.544 89.1 110.1 -86.7 -7.6 48.2 39.4 12.4 114 122 A S << - 0 0 16 -3,-0.8 -3,-0.0 -4,-0.8 6,-0.0 -0.460 52.8-161.9 -74.4 137.9 49.7 40.0 8.9 115 123 A E S S+ 0 0 188 -2,-0.2 2,-0.5 1,-0.0 -1,-0.1 0.794 73.7 69.4 -86.8 -31.9 49.9 43.6 7.6 116 124 A R S > S- 0 0 149 1,-0.1 4,-2.9 2,-0.0 3,-0.3 -0.784 75.0-142.2 -93.9 128.7 50.3 42.8 3.9 117 125 A D H > S+ 0 0 106 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.863 100.7 51.1 -55.6 -43.4 47.2 41.3 2.1 118 126 A 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0.200 133.7 -21.4-117.7-121.2 39.1 38.5 4.9 182 190 A F T 5S- 0 0 106 -6,-3.3 -5,-0.2 1,-0.1 -4,-0.1 0.648 76.4-130.5 -71.9 -16.5 37.0 40.3 2.2 183 191 A G < + 0 0 41 -5,-2.5 -5,-0.2 -7,-0.3 -6,-0.1 0.853 55.8 146.8 70.2 34.2 34.8 42.0 4.7 184 192 A W S S+ 0 0 187 -7,-2.2 2,-0.4 -6,-0.2 -6,-0.2 0.745 70.3 41.0 -73.1 -21.4 31.5 41.1 3.2 185 193 A I S S- 0 0 32 -8,-1.5 -1,-0.1 -11,-0.1 -2,-0.1 -0.957 89.3-116.1-126.3 148.0 30.0 41.0 6.7 186 194 A N > - 0 0 89 -2,-0.4 4,-2.3 -8,-0.1 5,-0.2 -0.175 35.6 -98.1 -74.4 172.1 30.6 43.4 9.7 187 195 A Q H > S+ 0 0 63 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.858 120.6 55.1 -59.0 -39.6 32.3 42.4 13.0 188 196 A T H > S+ 0 0 52 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.929 111.1 42.5 -62.6 -47.0 28.9 41.9 14.7 189 197 A I H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 114.1 53.8 -65.5 -39.3 27.6 39.4 12.2 190 198 A D H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.944 109.8 47.5 -57.8 -49.5 31.0 37.8 12.2 191 199 A T H < S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.914 108.9 54.1 -58.5 -46.5 30.8 37.5 16.0 192 200 A F H >X S+ 0 0 97 -4,-2.5 4,-1.8 1,-0.2 3,-1.3 0.910 110.5 45.9 -55.8 -45.1 27.3 36.1 15.9 193 201 A L H 3X S+ 0 0 44 -4,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.853 107.5 57.5 -68.3 -34.9 28.4 33.3 13.4 194 202 A F H 3< S+ 0 0 3 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.223 108.2 49.0 -82.2 17.3 31.5 32.6 15.6 195 203 A C H <> S+ 0 0 8 -3,-1.3 4,-1.5 -5,-0.1 -2,-0.2 0.637 112.7 44.1-114.2 -47.3 29.1 31.9 18.5 196 204 A L H X S+ 0 0 68 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.937 114.0 47.7 -65.2 -51.8 26.7 29.6 16.7 197 205 A L H X S+ 0 0 28 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.955 113.2 47.9 -56.4 -53.4 29.3 27.4 14.9 198 206 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.4 0.849 108.3 56.4 -57.9 -35.1 31.4 26.9 18.0 199 207 A F H X>S+ 0 0 70 -4,-1.5 5,-2.3 1,-0.2 4,-0.5 0.930 113.3 38.9 -63.9 -44.5 28.4 26.0 20.1 200 208 A F H <>S+ 0 0 97 -4,-2.0 5,-1.1 3,-0.2 -1,-0.2 0.806 117.0 51.8 -74.5 -28.2 27.4 23.2 17.7 201 209 A S H <5S+ 0 0 3 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.840 123.3 26.2 -76.3 -35.8 31.0 22.2 17.2 202 210 A K H X5S+ 0 0 2 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 0.903 138.0 18.6 -91.3 -77.9 31.8 21.9 20.9 203 211 A V H X5S+ 0 0 14 -4,-0.5 4,-2.1 -5,-0.4 -3,-0.2 0.926 128.0 51.7 -61.5 -46.0 28.7 21.2 22.8 204 212 A G H >< S+ 0 0 18 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.929 106.9 56.0 -66.7 -45.1 26.0 5.4 25.3 215 223 A N H >< S+ 0 0 79 -4,-2.7 3,-1.7 1,-0.3 -1,-0.2 0.720 91.1 70.4 -61.2 -25.5 23.1 4.3 23.1 216 224 A L T 3< S+ 0 0 65 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.714 97.6 56.0 -64.7 -17.4 25.1 1.5 21.4 217 225 A N T < 0 0 81 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.120 360.0 360.0-102.1 19.3 24.8 -0.1 24.8 218 226 A D < 0 0 151 -3,-1.7 -1,-0.2 -188,-0.0 -2,-0.1 0.870 360.0 360.0 -63.8 360.0 21.0 -0.1 25.1