==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JUL-01 1H79 . COMPND 2 MOLECULE: ANAEROBIC RIBONUCLEOTIDE-TRIPHOSPHATE REDUCTASE . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T4; . AUTHOR K.-M.LARSSON,J.ANDERSSON,B.-M.SJOEBERG,P.NORDLUND,D.T.LOGAN . 559 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 400 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 34 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 4 0 1 1 3 1 0 0 0 2 2 0 2 1 0 1 0 0 0 1 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 3 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 PARALLEL BRIDGES PER LADDER . 7 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 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 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 27 A S 0 0 101 0, 0.0 6,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.7 39.6 79.2 60.0 2 28 A R + 0 0 219 4,-0.1 2,-0.4 5,-0.0 0, 0.0 -0.009 360.0 131.5 -86.0 30.3 38.1 79.1 56.5 3 29 A V >> - 0 0 69 1,-0.1 4,-2.5 160,-0.0 3,-1.1 -0.729 64.5-124.9 -88.2 129.4 38.4 75.3 56.3 4 30 A F H 3> S+ 0 0 173 -2,-0.4 4,-3.0 1,-0.3 5,-0.3 0.830 107.2 52.0 -38.3 -56.2 35.2 73.5 55.1 5 31 A P H 3> S+ 0 0 38 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.893 114.2 44.5 -54.4 -39.1 34.9 71.2 58.1 6 32 A T H <> S+ 0 0 27 -3,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.946 112.0 52.0 -69.3 -48.0 35.1 74.1 60.5 7 33 A Q H X S+ 0 0 84 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.939 111.0 48.2 -51.3 -52.4 32.7 76.2 58.4 8 34 A R H X S+ 0 0 187 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.897 109.5 53.0 -57.0 -43.1 30.2 73.4 58.4 9 35 A D H X S+ 0 0 41 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.929 104.5 54.9 -61.5 -44.3 30.6 73.0 62.1 10 36 A L H X S+ 0 0 97 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.849 104.1 55.9 -57.3 -36.1 29.9 76.7 62.8 11 37 A M H X S+ 0 0 116 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.970 109.5 44.3 -61.8 -50.4 26.7 76.4 60.9 12 38 A A H X S+ 0 0 54 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.799 113.3 53.6 -63.2 -27.9 25.5 73.6 63.1 13 39 A G H X S+ 0 0 8 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.882 106.9 50.1 -73.7 -38.1 26.7 75.6 66.1 14 40 A I H X S+ 0 0 114 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.894 112.4 46.7 -67.0 -39.6 24.7 78.7 65.1 15 41 A V H X S+ 0 0 83 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.892 113.7 49.9 -69.0 -37.1 21.5 76.6 64.7 16 42 A S H X S+ 0 0 15 -4,-1.8 4,-3.0 27,-0.3 -2,-0.2 0.899 109.0 50.2 -67.9 -40.7 22.3 75.0 68.1 17 43 A K H X S+ 0 0 106 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.966 113.2 47.8 -60.7 -49.7 22.8 78.3 69.8 18 44 A H H >< S+ 0 0 117 -4,-2.3 3,-0.5 1,-0.2 4,-0.5 0.950 113.2 46.5 -55.8 -52.7 19.5 79.5 68.4 19 45 A I H >< S+ 0 0 59 -4,-3.0 3,-2.5 1,-0.2 4,-0.3 0.918 106.0 59.6 -56.6 -43.4 17.7 76.4 69.4 20 46 A A H >X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.3 3,-1.9 0.888 98.3 60.6 -51.9 -38.8 19.3 76.6 72.9 21 47 A K T << S+ 0 0 95 -4,-1.8 -1,-0.3 -3,-0.5 -2,-0.2 0.668 105.0 48.0 -63.4 -18.1 17.6 80.0 73.2 22 48 A N T <4 S+ 0 0 117 -3,-2.5 -1,-0.3 -4,-0.5 -2,-0.2 0.258 118.4 38.8-106.1 9.8 14.2 78.3 72.7 23 49 A M T <4 S+ 0 0 103 -3,-1.9 -2,-0.2 -4,-0.3 -3,-0.1 0.621 98.4 77.7-123.7 -38.8 14.8 75.5 75.3 24 50 A V S < S- 0 0 10 -4,-3.0 5,-0.1 -5,-0.2 -1,-0.1 -0.633 90.8-103.5 -82.8 128.9 16.7 77.2 78.1 25 51 A P >> - 0 0 57 0, 0.0 4,-2.0 0, 0.0 3,-1.5 -0.184 29.4-119.2 -51.1 136.8 14.7 79.3 80.5 26 52 A S H 3> S+ 0 0 71 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.841 110.6 56.7 -45.4 -46.8 15.1 83.0 79.9 27 53 A F H 3> S+ 0 0 106 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.800 109.0 47.9 -62.7 -26.2 16.6 83.8 83.4 28 54 A I H <> S+ 0 0 3 -3,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.936 113.0 46.3 -78.7 -46.8 19.4 81.3 82.7 29 55 A M H X S+ 0 0 9 -4,-2.0 4,-3.9 1,-0.2 5,-0.3 0.949 110.3 53.0 -58.4 -50.6 20.2 82.6 79.3 30 56 A K H X S+ 0 0 130 -4,-2.9 4,-2.1 1,-0.3 -1,-0.2 0.890 111.0 48.0 -51.5 -42.6 20.2 86.2 80.4 31 57 A A H X>S+ 0 0 6 -4,-1.1 5,-1.9 -5,-0.3 6,-1.3 0.882 115.0 44.3 -65.8 -40.3 22.7 85.2 83.2 32 58 A H H <5S+ 0 0 9 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.877 113.3 52.2 -70.1 -39.5 24.8 83.4 80.7 33 59 A E H <5S+ 0 0 89 -4,-3.9 -2,-0.2 1,-0.2 -1,-0.2 0.839 111.2 46.0 -67.3 -34.7 24.6 86.2 78.2 34 60 A S H <5S- 0 0 45 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.564 115.6-108.4 -87.8 -9.6 25.6 88.8 80.7 35 61 A G T <5S+ 0 0 0 -4,-0.7 -3,-0.2 -3,-0.4 260,-0.2 0.580 85.1 118.0 96.6 8.9 28.6 86.9 82.1 36 62 A I S -A 289 0A 6 -2,-0.4 3,-0.8 250,-0.2 250,-0.2 -0.748 29.7-141.0 -83.6 107.7 26.8 77.6 80.0 40 66 A H T 3 S+ 0 0 29 248,-2.0 248,-0.2 -2,-1.0 5,-0.1 -0.277 73.7 12.5 -68.8 154.7 29.5 75.6 78.3 41 67 A D T >> + 0 0 31 1,-0.2 4,-2.6 2,-0.1 3,-2.4 0.757 69.2 156.3 49.4 34.8 29.1 74.0 74.9 42 68 A I T <4 + 0 0 14 -3,-0.8 5,-0.3 1,-0.3 -22,-0.2 0.630 68.0 67.6 -63.1 -11.5 25.9 75.8 74.2 43 69 A D T 34 S+ 0 0 37 1,-0.1 -1,-0.3 3,-0.1 -27,-0.3 0.391 115.8 23.3 -89.3 2.2 26.7 75.2 70.6 44 70 A Y T <> S+ 0 0 26 -3,-2.4 4,-1.9 1,-0.5 6,-0.2 0.561 110.3 83.3-126.1 -55.2 26.1 71.5 71.0 45 71 A S T < S+ 0 0 4 -4,-2.6 -1,-0.5 1,-0.3 284,-0.1 -0.856 92.3 7.0-112.2 147.4 23.9 71.1 74.1 46 72 A P T 4 S+ 0 0 6 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 -0.941 115.3 71.3 -90.1 14.1 21.0 71.2 74.7 47 73 A A T 4 S+ 0 0 16 -5,-0.3 -2,-0.2 -31,-0.1 -5,-0.1 0.936 117.0 21.7 -51.3 -48.1 20.0 71.5 71.0 48 74 A L S < S- 0 0 91 -4,-1.9 2,-2.2 2,-0.0 -1,-0.1 -0.912 94.9-109.5-117.5 148.3 21.1 67.8 70.7 49 75 A P + 0 0 34 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 -0.160 60.9 153.8 -73.7 50.0 21.3 65.4 73.7 50 76 A F - 0 0 47 -2,-2.2 2,-0.2 -6,-0.2 47,-0.2 -0.364 32.9-145.8 -73.7 157.2 25.1 65.2 73.7 51 77 A T - 0 0 2 45,-0.5 47,-1.5 1,-0.2 48,-0.5 -0.556 17.2-120.0-110.1-179.2 27.1 64.4 76.8 52 78 A N - 0 0 14 233,-1.8 47,-1.6 1,-0.3 -1,-0.2 0.746 59.3 -22.4 -93.0-109.3 30.5 65.9 77.7 53 79 A C + 0 0 5 45,-0.1 232,-1.7 46,-0.1 2,-0.3 -0.424 61.1 177.3-100.8 179.3 33.8 64.0 78.3 54 80 A C E -gH 101 284B 0 46,-1.3 48,-2.2 230,-0.2 2,-0.6 -0.997 36.8-110.0-172.2 169.0 34.4 60.4 79.3 55 81 A L E -g 102 0B 1 228,-2.4 227,-2.5 -2,-0.3 2,-0.2 -0.965 43.3-134.3-110.3 112.7 36.7 57.4 80.0 56 82 A V - 0 0 3 46,-2.7 2,-1.8 -2,-0.6 48,-0.4 -0.512 5.5-134.2 -73.6 135.1 36.3 54.9 77.2 57 83 A D > + 0 0 28 292,-2.1 4,-1.9 -2,-0.2 3,-0.3 -0.349 48.6 150.2 -84.6 57.2 35.8 51.2 78.2 58 84 A L H > + 0 0 5 -2,-1.8 4,-2.7 1,-0.2 5,-0.3 0.863 68.0 59.5 -56.3 -39.4 38.4 50.0 75.6 59 85 A K H > S+ 0 0 99 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.925 109.7 42.7 -57.6 -44.2 39.3 47.1 77.9 60 86 A G H > S+ 0 0 13 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.799 113.4 52.1 -73.7 -29.4 35.7 45.9 77.7 61 87 A M H X S+ 0 0 1 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.902 112.0 43.6 -74.1 -41.7 35.3 46.6 74.0 62 88 A L H < S+ 0 0 3 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.818 116.9 46.4 -73.6 -31.9 38.3 44.6 72.9 63 89 A E H < S+ 0 0 87 -4,-1.5 12,-0.2 -5,-0.3 -2,-0.2 0.901 124.7 28.0 -78.7 -40.7 37.7 41.7 75.2 64 90 A N H < S- 0 0 126 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.599 105.5-122.2 -98.6 -10.9 34.0 41.2 74.5 65 91 A G < - 0 0 7 -4,-1.5 2,-0.3 -5,-0.2 9,-0.2 0.109 27.0-158.3 84.7 155.4 33.7 42.5 71.0 66 92 A F E -N 73 0C 2 7,-0.8 7,-1.9 281,-0.1 2,-0.4 -0.978 22.0 -97.7-162.6 163.0 31.4 45.2 69.8 67 93 A K E -N 72 0C 81 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.742 23.0-175.2 -93.9 139.2 29.8 46.5 66.6 68 94 A L E > S-N 71 0C 35 3,-2.4 3,-0.8 -2,-0.4 2,-0.6 -0.836 80.8 -35.2-129.5 87.4 31.3 49.3 64.6 69 95 A G T 3 S- 0 0 57 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.855 121.4 -38.1 95.7-127.1 28.7 49.9 62.0 70 96 A N T 3 S+ 0 0 156 -2,-0.6 2,-0.4 -3,-0.1 -1,-0.2 0.443 115.7 108.6-107.3 -5.7 27.2 46.5 61.1 71 97 A A E < -N 68 0C 54 -3,-0.8 -3,-2.4 1,-0.1 2,-1.1 -0.592 64.6-144.6 -77.2 124.3 30.7 44.9 61.4 72 98 A Q E -N 67 0C 115 -2,-0.4 -5,-0.2 -5,-0.2 2,-0.1 -0.765 20.4-153.1 -91.7 96.8 31.1 42.7 64.5 73 99 A I E -N 66 0C 43 -7,-1.9 -7,-0.8 -2,-1.1 2,-0.3 -0.388 6.8-152.3 -72.3 146.7 34.7 43.3 65.6 74 100 A E - 0 0 143 -9,-0.2 3,-0.1 1,-0.1 -10,-0.1 -0.775 37.7 -65.4-117.1 163.7 36.6 40.6 67.5 75 101 A T - 0 0 28 -2,-0.3 -1,-0.1 -12,-0.2 -12,-0.1 -0.119 63.8-103.0 -46.5 133.7 39.4 40.7 70.0 76 102 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.209 22.3-155.1 -58.2 153.6 42.6 42.0 68.3 77 103 A K S S+ 0 0 99 1,-0.1 2,-0.3 -3,-0.1 3,-0.1 0.275 76.2 25.1-112.0 6.9 45.2 39.3 67.5 78 104 A S S > S- 0 0 23 1,-0.1 4,-1.1 39,-0.0 36,-0.2 -0.976 80.9-110.0-161.9 162.4 48.1 41.7 67.5 79 105 A I H > S+ 0 0 0 34,-0.6 4,-2.2 -2,-0.3 3,-0.3 0.911 113.4 57.7 -68.2 -40.7 49.2 45.0 69.1 80 106 A G H > S+ 0 0 34 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.900 108.0 45.7 -55.6 -45.6 49.0 46.8 65.8 81 107 A V H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.764 108.4 58.6 -70.0 -25.8 45.4 46.0 65.2 82 108 A A H X S+ 0 0 0 -4,-1.1 4,-2.1 -3,-0.3 -2,-0.2 0.928 109.6 41.8 -71.0 -42.5 44.6 46.9 68.8 83 109 A T H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.809 112.5 55.6 -73.3 -27.7 45.8 50.4 68.4 84 110 A A H X S+ 0 0 36 -4,-1.6 4,-2.1 -5,-0.3 -2,-0.2 0.921 110.3 45.3 -68.4 -41.5 44.2 50.6 65.0 85 111 A I H X S+ 0 0 8 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.886 110.3 55.2 -66.5 -38.6 40.9 49.7 66.6 86 112 A M H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.959 108.1 47.8 -58.9 -50.2 41.6 52.2 69.4 87 113 A A H X S+ 0 0 5 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.907 111.3 51.5 -55.9 -45.2 42.0 54.9 66.8 88 114 A Q H X S+ 0 0 84 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.859 111.2 46.8 -60.8 -38.4 38.8 53.8 65.1 89 115 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.889 107.1 58.3 -71.0 -38.5 37.0 54.0 68.4 90 116 A T H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.908 105.3 50.7 -56.9 -42.4 38.5 57.4 69.1 91 117 A A H X S+ 0 0 31 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.906 112.4 46.8 -63.8 -41.6 36.9 58.6 65.9 92 118 A Q H >< S+ 0 0 66 -4,-1.5 3,-1.0 2,-0.2 4,-0.5 0.988 114.6 43.8 -63.1 -61.1 33.5 57.2 66.9 93 119 A V H >X S+ 0 0 0 -4,-2.9 3,-2.3 1,-0.3 4,-0.6 0.926 109.6 57.9 -51.6 -48.8 33.5 58.6 70.5 94 120 A A H >< S+ 0 0 26 -4,-2.6 3,-0.5 -5,-0.3 -1,-0.3 0.840 106.8 49.6 -52.7 -33.9 34.8 61.9 69.3 95 121 A S T << S+ 0 0 70 -4,-1.2 -1,-0.3 -3,-1.0 -2,-0.2 0.460 110.2 50.4 -84.7 -2.4 31.8 62.2 66.9 96 122 A H T <4 S+ 0 0 52 -3,-2.3 -45,-0.5 -4,-0.5 2,-0.3 0.339 110.7 38.5-120.6 11.2 29.2 61.4 69.6 97 123 A Q << - 0 0 5 -4,-0.6 -1,-0.2 -3,-0.5 -45,-0.2 -0.973 65.1-139.7-155.2 144.7 30.1 63.7 72.5 98 124 A Y S S+ 0 0 11 -47,-1.5 -46,-0.2 -2,-0.3 -45,-0.1 0.609 80.6 78.5 -83.0 -12.2 31.3 67.3 72.5 99 125 A G S S- 0 0 9 -47,-1.6 -2,-0.1 -48,-0.5 -46,-0.1 -0.362 92.2 -80.0 -92.9 174.5 33.9 66.7 75.3 100 126 A G - 0 0 9 162,-0.2 -46,-1.3 -2,-0.1 2,-0.4 -0.275 40.6-137.2 -69.8 157.2 37.3 65.2 75.3 101 127 A T E -gi 54 169B 1 67,-2.8 69,-2.1 -48,-0.2 2,-0.4 -0.956 15.5-159.2-122.5 135.4 37.8 61.4 75.3 102 128 A T E -gi 55 170B 0 -48,-2.2 -46,-2.7 -2,-0.4 2,-0.6 -0.895 15.9-158.3-120.1 145.3 40.2 59.4 77.4 103 129 A F E - i 0 171B 2 67,-3.1 69,-2.0 -2,-0.4 3,-0.5 -0.932 26.7-150.8-117.3 102.2 41.8 56.0 77.2 104 130 A A - 0 0 6 -2,-0.6 5,-0.1 -48,-0.4 69,-0.1 -0.574 65.8 -4.7 -81.3 135.0 43.0 55.1 80.7 105 131 A N >> + 0 0 10 -2,-0.3 4,-2.1 1,-0.1 3,-0.8 0.936 63.7 175.2 52.7 60.1 46.0 52.8 81.3 106 132 A V H 3> S+ 0 0 1 66,-2.2 4,-2.5 -3,-0.5 5,-0.3 0.801 77.7 62.5 -64.7 -24.2 46.7 51.9 77.7 107 133 A D H 34 S+ 0 0 0 65,-0.5 4,-0.3 1,-0.2 -1,-0.2 0.828 110.2 37.0 -68.7 -32.8 49.7 50.0 79.1 108 134 A K H <4 S+ 0 0 78 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.760 121.2 45.4 -89.4 -28.5 47.6 47.7 81.2 109 135 A V H < S+ 0 0 15 -4,-2.1 4,-0.3 1,-0.1 -2,-0.2 0.913 116.6 41.0 -82.4 -44.5 44.8 47.3 78.6 110 136 A L S >X S+ 0 0 0 -4,-2.5 3,-1.5 -5,-0.2 4,-1.0 0.693 90.4 96.2 -76.9 -15.9 46.8 46.8 75.5 111 137 A S H >> S+ 0 0 11 -4,-0.3 4,-1.5 -5,-0.3 3,-1.2 0.831 75.1 58.7 -39.2 -53.2 49.2 44.5 77.3 112 138 A P H 3> S+ 0 0 50 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.867 105.7 50.3 -49.0 -40.9 47.4 41.2 76.3 113 139 A Y H <> S+ 0 0 5 -3,-1.5 4,-1.6 -4,-0.3 -34,-0.6 0.730 101.3 59.3 -75.1 -22.4 48.0 42.1 72.6 114 140 A V H X S+ 0 0 49 -4,-3.2 4,-2.2 1,-0.2 3,-0.6 0.906 108.4 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112.5 52.2 -63.8 -39.2 57.3 58.0 75.1 190 216 A K H X S+ 0 0 95 -4,-3.3 4,-1.9 -5,-0.2 -1,-0.2 0.907 109.6 49.2 -66.2 -40.7 59.8 57.2 72.4 191 217 A N H X S+ 0 0 3 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.923 111.8 50.3 -63.8 -42.7 57.3 58.0 69.7 192 218 A R H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.947 107.2 51.4 -62.9 -48.8 56.5 61.3 71.4 193 219 A I H < S+ 0 0 46 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.925 107.5 55.7 -54.4 -43.1 60.2 62.4 71.7 194 220 A K H < S- 0 0 120 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.901 99.6-155.4 -57.3 -45.7 60.7 61.7 68.0 195 221 A G < - 0 0 7 -4,-1.7 2,-0.4 -3,-0.2 7,-0.2 -0.484 20.1 -53.4 101.8-173.2 57.9 64.0 67.0 196 222 A L B >S-O 201 0D 12 5,-2.0 5,-2.1 -2,-0.2 3,-0.4 -0.916 91.2 -10.2-114.2 134.0 55.7 64.3 63.9 197 223 A G T > 5S- 0 0 47 -2,-0.4 3,-1.8 3,-0.2 0, 0.0 -0.054 103.3 -51.8 75.2 179.7 56.8 64.5 60.3 198 224 A R T 3 5S+ 0 0 229 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.667 138.1 53.6 -67.3 -15.7 60.3 65.0 58.9 199 225 A D T 3 5S- 0 0 41 -3,-0.4 -1,-0.3 347,-0.0 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296 322 A I H << S+ 0 0 0 -3,-2.1 4,-0.4 -4,-0.6 -1,-0.2 0.927 111.4 43.3 -72.7 -42.9 30.0 88.1 92.2 297 323 A A H >< S+ 0 0 0 -4,-1.6 3,-1.0 -3,-0.4 4,-0.4 0.899 111.7 53.4 -66.4 -43.6 32.4 90.4 94.1 298 324 A L H >< S+ 0 0 10 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.908 108.5 49.5 -59.8 -41.9 32.1 93.2 91.6 299 325 A D T 3< S+ 0 0 25 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.626 104.2 62.9 -72.7 -10.8 28.4 93.1 91.9 300 326 A S T < S+ 0 0 0 -3,-1.0 7,-1.1 -4,-0.4 11,-0.3 0.471 81.1 104.7 -92.0 -4.4 28.8 93.3 95.6 301 327 A Y E < -Q 306 0F 72 -3,-1.3 2,-0.4 -4,-0.4 5,-0.2 -0.447 52.2-162.5 -77.5 150.4 30.5 96.7 95.6 302 328 A I E > S-Q 305 0F 100 3,-2.7 3,-2.1 -2,-0.1 2,-0.1 -0.991 73.6 -34.9-129.6 118.2 28.6 99.8 96.7 303 329 A G T 3 S- 0 0 74 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.456 126.5 -30.2 62.6-132.2 30.5 102.8 95.4 304 330 A T T 3 S+ 0 0 139 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.309 121.3 86.4-102.2 9.5 34.2 101.9 95.6 305 331 A Q E < S-Q 302 0F 145 -3,-2.1 -3,-2.7 -5,-0.0 2,-0.1 -0.886 76.9-115.6-116.8 146.3 33.9 99.5 98.6 306 332 A F E -Q 301 0F 45 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.430 22.0-149.8 -69.5 140.6 33.1 95.8 98.9 307 333 A N > - 0 0 63 -7,-1.1 4,-2.1 -10,-0.3 3,-0.3 -0.871 5.4-164.6-121.4 99.4 29.9 94.9 100.8 308 334 A E H > S+ 0 0 105 -2,-0.6 4,-1.8 1,-0.2 5,-0.2 0.810 87.7 55.3 -46.1 -41.8 30.2 91.5 102.5 309 335 A Q H > S+ 0 0 113 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.957 107.4 46.9 -62.4 -51.6 26.4 91.3 103.0 310 336 A K H > S+ 0 0 73 -3,-0.3 4,-2.6 -10,-0.2 5,-0.3 0.910 107.5 60.8 -56.9 -40.7 25.5 91.7 99.4 311 337 A F H X S+ 0 0 8 -4,-2.1 4,-2.9 -11,-0.3 -1,-0.2 0.931 103.7 47.0 -53.5 -52.1 28.2 89.2 98.5 312 338 A V H X S+ 0 0 38 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.833 112.1 51.7 -62.0 -30.9 26.6 86.4 100.5 313 339 A E H X S+ 0 0 97 -4,-1.5 4,-2.0 -3,-0.2 -1,-0.2 0.912 113.9 42.0 -72.8 -40.7 23.2 87.2 99.0 314 340 A L H X S+ 0 0 9 -4,-2.6 4,-3.3 2,-0.2 5,-0.2 0.859 114.3 53.0 -73.0 -34.6 24.4 87.1 95.4 315 341 A F H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.3 5,-0.2 0.987 113.6 40.8 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