==== 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 12-DEC-06 2O8V . COMPND 2 MOLECULE: PHOSPHOADENOSINE PHOSPHOSULFATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.CHARTRON,C.SHIAU,C.D.STOUT,K.S.CARROLL . 337 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17091.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 5.9 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 . 2 0.6 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 . 31 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.6 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 2 1 0 3 0 1 3 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 2 0 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 PARALLEL BRIDGES PER LADDER . 1 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 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 2 A S 0 0 161 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -34.7 4.2 -80.3 21.8 2 3 A K - 0 0 116 1,-0.1 41,-0.2 41,-0.1 40,-0.0 -0.294 360.0 -93.5 -52.6 117.9 1.5 -77.8 22.8 3 4 A L - 0 0 56 39,-1.2 2,-0.6 1,-0.1 -1,-0.1 0.068 33.5-143.0 -39.6 135.5 3.2 -75.4 25.2 4 5 A D > + 0 0 98 1,-0.1 4,-0.5 -3,-0.1 3,-0.3 -0.926 19.2 178.2-110.0 117.7 3.0 -76.0 28.9 5 6 A L H > S+ 0 0 7 -2,-0.6 4,-2.3 2,-0.2 5,-0.2 0.695 76.6 70.9 -88.9 -24.0 2.7 -73.0 31.2 6 7 A N H 4 S+ 0 0 124 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.549 109.6 38.6 -69.9 -6.2 2.5 -74.9 34.4 7 8 A A H 4 S+ 0 0 45 -3,-0.3 3,-0.2 2,-0.1 -1,-0.2 0.580 110.7 58.3-111.5 -27.4 6.2 -75.6 33.8 8 9 A L H >< S+ 0 0 26 -4,-0.5 3,-0.8 1,-0.2 -2,-0.2 0.786 104.3 51.9 -73.5 -30.3 6.9 -72.2 32.4 9 10 A N T 3< S+ 0 0 64 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.1 0.549 99.9 65.0 -80.7 -9.9 5.8 -70.6 35.6 10 11 A E T 3 S+ 0 0 155 -3,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 -0.044 95.8 79.1 -98.1 26.1 8.2 -73.0 37.3 11 12 A L S < S- 0 0 66 -3,-0.8 -3,-0.0 1,-0.0 -4,-0.0 -0.983 86.8-105.9-135.2 144.2 11.0 -71.1 35.5 12 13 A P > - 0 0 75 0, 0.0 4,-1.5 0, 0.0 5,-0.1 -0.061 37.7-100.9 -62.3 170.1 12.7 -67.8 36.4 13 14 A K H > S+ 0 0 137 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.779 120.3 44.8 -64.9 -30.0 12.0 -64.5 34.4 14 15 A V H > S+ 0 0 88 2,-0.2 4,-1.6 1,-0.1 -1,-0.2 0.846 110.9 49.2 -85.3 -37.7 15.2 -64.8 32.4 15 16 A D H > S+ 0 0 78 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.814 112.5 54.4 -67.8 -28.5 15.1 -68.5 31.5 16 17 A R H X S+ 0 0 40 -4,-1.5 4,-3.1 2,-0.2 5,-0.3 0.972 109.4 43.0 -67.3 -55.6 11.5 -67.7 30.5 17 18 A I H < S+ 0 0 61 -4,-1.7 4,-0.5 1,-0.2 -2,-0.2 0.754 119.3 46.8 -64.6 -24.2 12.5 -64.8 28.1 18 19 A L H X S+ 0 0 106 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.900 114.9 43.0 -82.9 -46.1 15.4 -67.0 26.8 19 20 A A H >< S+ 0 0 46 -4,-2.9 3,-0.8 1,-0.2 4,-0.5 0.934 120.1 43.9 -64.2 -45.9 13.4 -70.2 26.3 20 21 A L T >X S+ 0 0 16 -4,-3.1 4,-2.9 -5,-0.2 3,-0.7 0.735 98.7 75.9 -70.0 -24.1 10.5 -68.2 24.8 21 22 A A H 3> S+ 0 0 41 -4,-0.5 4,-2.1 -5,-0.3 -1,-0.2 0.837 90.2 55.4 -56.5 -36.6 13.1 -66.2 22.7 22 23 A E H << S+ 0 0 161 -4,-0.8 4,-0.4 -3,-0.8 -1,-0.3 0.822 112.9 42.1 -67.1 -31.0 13.5 -69.1 20.3 23 24 A T H X> S+ 0 0 42 -3,-0.7 4,-1.6 -4,-0.5 3,-0.9 0.877 113.2 51.5 -81.7 -42.1 9.7 -69.1 19.7 24 25 A N H 3X S+ 0 0 10 -4,-2.9 4,-1.8 1,-0.3 -2,-0.2 0.832 98.9 65.6 -63.3 -34.2 9.4 -65.3 19.5 25 26 A A H 3< S+ 0 0 50 -4,-2.1 -1,-0.3 -5,-0.2 4,-0.2 0.820 107.2 43.4 -57.5 -29.7 12.2 -65.2 17.0 26 27 A E H X> S+ 0 0 109 -3,-0.9 3,-1.2 -4,-0.4 4,-0.7 0.854 109.2 54.1 -83.6 -39.2 9.8 -67.1 14.7 27 28 A L H 3< S+ 0 0 4 -4,-1.6 3,-0.3 1,-0.2 -2,-0.2 0.732 97.6 69.3 -66.9 -21.0 6.8 -65.0 15.6 28 29 A E T 3< S+ 0 0 74 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.721 97.7 49.4 -69.6 -23.7 8.8 -61.9 14.6 29 30 A K T <4 S+ 0 0 147 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.684 99.5 79.7 -89.1 -21.8 8.8 -63.0 10.9 30 31 A L S < S- 0 0 66 -4,-0.7 2,-0.1 -3,-0.3 -3,-0.0 -0.427 81.0-113.3 -85.6 161.1 5.0 -63.5 10.7 31 32 A D > - 0 0 88 -2,-0.1 4,-2.2 1,-0.1 3,-0.4 -0.383 37.7 -92.9 -87.3 170.2 2.3 -60.9 10.3 32 33 A A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.843 127.6 49.0 -50.6 -40.6 -0.3 -59.9 12.9 33 34 A E H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.859 110.1 51.1 -69.8 -36.7 -2.8 -62.4 11.4 34 35 A G H > S+ 0 0 18 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.848 109.2 50.9 -69.2 -35.0 -0.2 -65.2 11.4 35 36 A R H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.897 111.8 45.8 -69.2 -42.9 0.6 -64.6 15.0 36 37 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.950 116.1 47.5 -64.3 -45.8 -3.0 -64.6 16.1 37 38 A A H X S+ 0 0 55 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.894 112.2 48.5 -60.6 -45.0 -3.5 -67.8 14.0 38 39 A W H < S+ 0 0 59 -4,-2.7 3,-0.4 1,-0.2 5,-0.2 0.912 112.7 49.5 -61.7 -43.1 -0.4 -69.4 15.4 39 40 A A H >X S+ 0 0 1 -4,-2.5 4,-1.0 1,-0.2 3,-0.8 0.854 95.9 72.5 -64.7 -37.1 -1.6 -68.5 18.9 40 41 A L H 3< S+ 0 0 34 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.891 117.7 12.6 -46.7 -48.6 -5.0 -70.0 18.2 41 42 A D T 3< S+ 0 0 104 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.1 -0.470 118.0 58.1-140.7 75.7 -3.6 -73.5 18.3 42 43 A N T <4 S+ 0 0 60 -3,-0.8 -39,-1.2 1,-0.3 -3,-0.1 0.067 104.8 60.9-160.8 -18.3 -0.1 -73.9 19.7 43 44 A L S < S- 0 0 1 -4,-1.0 -1,-0.3 -5,-0.2 107,-0.1 -0.754 86.6-109.7-114.7 160.5 -1.2 -72.3 23.0 44 45 A P - 0 0 41 0, 0.0 105,-0.3 0, 0.0 -1,-0.1 0.002 52.5 -15.5 -85.3-169.1 -3.9 -73.5 25.4 45 46 A G S S+ 0 0 36 104,-0.1 104,-2.0 103,-0.1 105,-0.6 0.378 97.5 7.7 -31.0 146.3 -7.4 -72.7 26.7 46 47 A E - 0 0 85 102,-0.3 104,-1.8 103,-0.2 103,-1.6 0.931 59.6-151.2 41.3 109.0 -9.5 -69.6 26.5 47 48 A Y E -a 150 0A 23 101,-0.2 2,-0.3 102,-0.1 104,-0.2 -0.904 16.7-172.7-106.7 117.7 -8.3 -66.8 24.4 48 49 A V E -a 151 0A 0 102,-1.9 104,-3.5 -2,-0.6 2,-0.5 -0.791 18.1-149.4-111.9 156.2 -9.4 -63.3 25.4 49 50 A L E -ab 152 73A 0 23,-2.7 25,-1.1 -2,-0.3 2,-0.4 -0.880 14.9-165.2-126.0 96.4 -9.0 -59.9 23.7 50 51 A S E +ab 153 74A 15 102,-1.3 104,-0.5 -2,-0.5 2,-0.3 -0.702 12.5 180.0 -85.4 130.1 -8.7 -57.0 26.2 51 52 A S - 0 0 14 23,-2.3 25,-0.4 -2,-0.4 -2,-0.0 -0.900 32.5-156.4-129.0 156.3 -9.1 -53.6 24.7 52 53 A S - 0 0 98 -2,-0.3 -1,-0.1 23,-0.1 23,-0.1 0.556 39.3-131.7-102.3 -15.6 -9.1 -50.0 26.1 53 54 A F + 0 0 1 35,-0.1 35,-0.1 1,-0.0 36,-0.1 0.959 58.5 134.8 60.3 55.3 -11.3 -48.7 23.3 54 55 A G S > S- 0 0 8 34,-0.1 3,-0.7 147,-0.0 4,-0.3 0.100 70.7 -40.3-104.2-140.1 -9.0 -45.8 22.6 55 56 A I T 3 S+ 0 0 26 156,-0.2 146,-0.8 1,-0.2 3,-0.1 0.760 137.1 20.3 -63.5 -29.4 -7.6 -44.2 19.4 56 57 A Q T >> S+ 0 0 26 144,-0.1 3,-0.9 1,-0.1 4,-0.8 0.047 79.9 116.2-134.8 30.5 -6.9 -47.5 17.7 57 58 A A H <> + 0 0 5 -3,-0.7 4,-2.5 1,-0.2 5,-0.3 0.871 68.9 72.1 -66.0 -35.4 -9.0 -50.2 19.3 58 59 A A H 3> S+ 0 0 2 -4,-0.3 4,-1.7 141,-0.2 -1,-0.2 0.747 94.3 55.9 -50.6 -30.0 -10.8 -50.7 16.0 59 60 A V H <> S+ 0 0 0 -3,-0.9 4,-2.8 2,-0.2 5,-0.2 0.998 112.9 33.8 -67.6 -69.6 -7.7 -52.3 14.5 60 61 A S H X S+ 0 0 5 -4,-0.8 4,-2.6 1,-0.2 5,-0.4 0.869 120.0 53.0 -55.6 -42.0 -7.0 -55.2 17.0 61 62 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.972 113.4 40.8 -59.9 -56.3 -10.7 -55.7 17.6 62 63 A H H X S+ 0 0 31 -4,-1.7 4,-2.4 -5,-0.3 5,-0.2 0.918 118.3 47.7 -58.9 -47.5 -11.7 -56.1 13.9 63 64 A L H X S+ 0 0 3 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.971 119.3 36.7 -58.8 -59.3 -8.6 -58.2 13.1 64 65 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.858 117.7 52.3 -64.2 -37.6 -8.8 -60.6 16.0 65 66 A N H < S+ 0 0 15 -4,-2.9 -1,-0.2 -5,-0.4 -2,-0.2 0.866 108.2 50.1 -68.3 -37.9 -12.7 -60.7 15.9 66 67 A Q H < S+ 0 0 123 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.917 113.3 47.4 -65.3 -41.7 -12.7 -61.5 12.2 67 68 A I H < S+ 0 0 54 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.939 129.6 22.4 -63.1 -46.8 -10.2 -64.3 12.9 68 69 A R S >< S- 0 0 85 -4,-2.8 3,-0.7 -5,-0.1 -1,-0.3 -0.888 85.3-141.8-129.0 100.4 -12.3 -65.6 15.9 69 70 A P T 3 S+ 0 0 97 0, 0.0 -3,-0.1 0, 0.0 29,-0.1 -0.232 81.5 9.0 -58.7 144.9 -16.0 -64.6 15.9 70 71 A D T 3 S+ 0 0 102 27,-0.6 28,-0.1 1,-0.2 27,-0.1 0.881 84.9 173.7 48.3 49.9 -17.6 -63.7 19.3 71 72 A I < - 0 0 1 -3,-0.7 2,-0.9 1,-0.1 28,-0.7 -0.669 45.1 -95.4 -87.1 137.9 -14.3 -63.6 21.1 72 73 A P E - c 0 99A 19 0, 0.0 -23,-2.7 0, 0.0 2,-0.8 -0.368 42.8-165.7 -56.4 95.9 -14.3 -62.5 24.8 73 74 A V E -bc 49 100A 0 26,-2.0 28,-3.3 -2,-0.9 2,-0.5 -0.797 10.7-146.6 -89.1 111.4 -13.4 -58.8 24.5 74 75 A I E +bc 50 101A 0 -25,-1.1 -23,-2.3 -2,-0.8 2,-0.5 -0.702 19.4 179.6 -86.3 121.6 -12.5 -57.5 27.9 75 76 A L E - c 0 102A 10 26,-3.1 28,-2.5 -2,-0.5 2,-1.4 -0.916 14.2-158.7-123.4 101.4 -13.4 -53.9 28.7 76 77 A T - 0 0 21 -2,-0.5 2,-0.8 -25,-0.4 28,-0.2 -0.661 14.7-154.4 -81.8 90.4 -12.5 -52.8 32.2 77 78 A D - 0 0 30 -2,-1.4 28,-0.5 1,-0.2 -2,-0.0 -0.575 10.1-167.6 -70.9 107.9 -14.8 -49.8 32.7 78 79 A T - 0 0 6 -2,-0.8 -1,-0.2 26,-0.2 27,-0.2 0.794 40.5-116.9 -65.8 -30.4 -13.2 -47.5 35.2 79 80 A G S S+ 0 0 35 -3,-0.1 30,-0.1 25,-0.1 -1,-0.1 0.109 100.7 67.2 114.1 -20.7 -16.4 -45.5 35.6 80 81 A Y + 0 0 25 29,-0.0 134,-2.3 135,-0.0 135,-0.3 -0.207 64.7 144.8-124.7 41.0 -15.2 -42.2 34.3 81 82 A L B -F 213 0B 17 132,-0.2 132,-0.2 1,-0.1 134,-0.0 -0.340 62.6 -82.8 -74.6 161.9 -14.5 -42.9 30.6 82 83 A F >> - 0 0 12 130,-0.9 4,-1.5 1,-0.1 3,-1.3 -0.426 35.2-128.2 -65.0 137.0 -15.1 -40.2 28.0 83 84 A P H 3> S+ 0 0 66 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.897 112.1 52.0 -52.4 -43.9 -18.8 -40.1 26.9 84 85 A E H 3> S+ 0 0 50 1,-0.2 4,-0.8 2,-0.2 -2,-0.1 0.669 103.5 60.3 -67.8 -18.5 -17.8 -40.4 23.3 85 86 A T H <> S+ 0 0 2 -3,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.902 103.7 48.3 -75.3 -43.5 -15.7 -43.4 24.2 86 87 A Y H X S+ 0 0 65 -4,-1.5 4,-3.1 1,-0.2 3,-0.4 0.941 112.6 47.8 -60.9 -48.9 -18.7 -45.4 25.4 87 88 A R H X S+ 0 0 157 -4,-1.8 4,-1.0 1,-0.3 -1,-0.2 0.775 109.3 55.5 -62.8 -26.3 -20.6 -44.5 22.3 88 89 A F H X S+ 0 0 4 -4,-0.8 4,-1.7 2,-0.2 -1,-0.3 0.830 111.2 44.4 -73.2 -34.2 -17.5 -45.6 20.4 89 90 A I H X S+ 0 0 1 -4,-1.7 4,-3.5 -3,-0.4 5,-0.3 0.956 114.8 46.1 -72.6 -54.3 -17.7 -48.9 22.2 90 91 A D H X S+ 0 0 108 -4,-3.1 4,-0.5 1,-0.2 -2,-0.2 0.714 113.7 52.1 -61.9 -22.5 -21.4 -49.4 21.7 91 92 A E H X S+ 0 0 111 -4,-1.0 4,-1.7 -5,-0.3 -1,-0.2 0.880 115.2 40.0 -80.1 -41.8 -20.9 -48.4 18.1 92 93 A L H X>S+ 0 0 9 -4,-1.7 4,-4.4 2,-0.2 5,-0.6 0.941 109.3 56.9 -71.8 -52.1 -18.2 -50.9 17.5 93 94 A T H <>S+ 0 0 28 -4,-3.5 5,-1.4 1,-0.2 4,-0.2 0.782 115.8 40.3 -51.4 -28.9 -19.7 -53.8 19.5 94 95 A D H <5S+ 0 0 131 -4,-0.5 -1,-0.2 -5,-0.3 -2,-0.2 0.829 119.9 43.5 -88.6 -37.1 -22.7 -53.5 17.2 95 96 A K H <5S+ 0 0 103 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.2 0.918 127.3 30.3 -73.7 -45.3 -20.7 -52.9 14.0 96 97 A L T <5S- 0 0 16 -4,-4.4 -3,-0.2 -5,-0.1 -1,-0.2 0.568 103.9-129.5 -90.0 -11.7 -18.1 -55.6 14.7 97 98 A K T < - 0 0 149 -5,-0.6 -27,-0.6 -4,-0.2 2,-0.3 0.996 38.9-174.9 57.1 74.1 -20.5 -57.8 16.6 98 99 A L < - 0 0 17 -5,-1.4 2,-1.7 -28,-0.1 -1,-0.1 -0.770 36.8-127.7-106.2 146.8 -18.4 -58.4 19.7 99 100 A N E -c 72 0A 52 -28,-0.7 -26,-2.0 -2,-0.3 2,-0.3 -0.680 43.0-158.8 -88.5 80.5 -18.9 -60.7 22.7 100 101 A L E -c 73 0A 49 -2,-1.7 2,-0.6 -28,-0.2 -26,-0.2 -0.480 15.6-166.0 -71.3 129.1 -18.2 -57.8 25.1 101 102 A K E -c 74 0A 63 -28,-3.3 -26,-3.1 -2,-0.3 2,-0.5 -0.940 9.7-159.8-116.9 105.6 -17.2 -58.5 28.7 102 103 A V E -c 75 0A 71 -2,-0.6 2,-0.5 -28,-0.2 -26,-0.2 -0.765 10.6-178.7 -92.1 128.0 -17.5 -55.5 31.0 103 104 A Y + 0 0 19 -28,-2.5 2,-0.1 -2,-0.5 39,-0.1 -0.871 9.0 166.0-130.1 99.1 -15.5 -55.4 34.2 104 105 A R - 0 0 152 -2,-0.5 -26,-0.2 1,-0.2 4,-0.1 -0.436 42.9 -66.9-100.4-179.9 -15.8 -52.4 36.5 105 106 A A - 0 0 12 -28,-0.5 -1,-0.2 2,-0.2 29,-0.1 0.195 40.0-110.4 -58.4 178.7 -14.8 -51.9 40.1 106 107 A T S S+ 0 0 99 27,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.713 109.4 32.1 -82.1 -25.7 -16.2 -53.6 43.2 107 108 A E S S- 0 0 19 26,-0.1 -2,-0.2 1,-0.1 -1,-0.1 -0.873 91.4-111.8-127.3 159.2 -17.6 -50.2 44.1 108 109 A S > - 0 0 69 -2,-0.3 4,-3.2 -4,-0.1 5,-0.2 -0.191 34.4 -92.9 -87.3-179.6 -18.9 -47.4 41.9 109 110 A A H > S+ 0 0 30 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.917 127.6 42.5 -57.3 -49.4 -17.7 -43.9 41.1 110 111 A A H > S+ 0 0 72 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.871 114.6 52.4 -66.6 -37.5 -19.8 -42.3 43.9 111 112 A W H >> S+ 0 0 151 2,-0.2 4,-2.8 1,-0.2 3,-0.5 0.939 111.7 44.9 -63.9 -48.9 -18.9 -45.1 46.2 112 113 A Q H 3X>S+ 0 0 2 -4,-3.2 5,-2.7 1,-0.2 4,-2.7 0.864 111.9 53.1 -63.4 -38.2 -15.2 -44.7 45.6 113 114 A E H 3<5S+ 0 0 81 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.696 116.1 39.3 -70.8 -21.4 -15.5 -40.9 46.0 114 115 A A H <<5S+ 0 0 88 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.789 120.5 43.6 -94.7 -36.1 -17.3 -41.3 49.3 115 116 A R H <5S- 0 0 135 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.908 144.0 -4.6 -75.7 -45.8 -15.1 -44.1 50.6 116 117 A Y T <5S- 0 0 79 -4,-2.7 2,-0.3 -5,-0.2 -3,-0.2 0.722 93.8-143.0-116.0 -46.7 -11.7 -42.7 49.5 117 118 A G < - 0 0 15 -5,-2.7 2,-1.8 -6,-0.1 -1,-0.2 -0.796 59.5 -10.3 113.4-158.2 -12.5 -39.5 47.6 118 119 A K >> - 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