==== 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 (FLAVOENZYME) 26-MAR-90 4GR1 . COMPND 2 MOLECULE: GLUTATHIONE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.E.SCHULZ,W.JANES . 462 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22725.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 32 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.2 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 1 1 1 0 1 0 0 0 2 2 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 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 PARALLEL BRIDGES PER LADDER . 3 1 2 1 1 1 1 2 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 . 1 1 1 1 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 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 18 A V 0 0 109 0, 0.0 2,-0.3 0, 0.0 129,-0.2 0.000 360.0 360.0 360.0 103.2 34.4 50.8 30.6 2 19 A A E -a 130 0A 44 127,-1.4 129,-2.1 1,-0.0 2,-0.3 -0.555 360.0-148.4 -79.0 136.8 36.2 47.6 30.2 3 20 A S E +a 131 0A 86 -2,-0.3 2,-0.3 127,-0.2 129,-0.2 -0.793 19.7 172.7-110.8 144.0 38.5 46.8 32.9 4 21 A Y - 0 0 17 127,-1.7 25,-0.2 -2,-0.3 3,-0.2 -0.819 39.9-121.7-133.3 175.1 41.8 44.8 32.9 5 22 A D S S+ 0 0 67 23,-3.7 129,-0.4 1,-0.3 2,-0.4 0.658 101.5 14.4 -86.8 -28.7 44.7 44.0 35.3 6 23 A Y E -d 29 0B 0 22,-1.7 24,-1.9 125,-0.1 2,-0.5 -0.943 61.6-167.5-156.4 124.6 47.1 45.6 33.0 7 24 A L E -de 30 135B 0 127,-1.5 129,-3.2 -2,-0.4 2,-0.5 -0.982 11.9-161.8-110.5 126.6 46.8 47.9 30.0 8 25 A V E -de 31 136B 0 22,-2.3 24,-3.3 -2,-0.5 2,-0.7 -0.937 5.9-154.7-114.8 117.3 49.9 48.3 27.9 9 26 A I E S+de 32 137B 7 127,-3.5 129,-2.8 -2,-0.5 24,-0.1 -0.910 71.1 37.3 -94.0 104.6 50.1 51.4 25.5 10 27 A G - 0 0 9 22,-2.2 23,-0.2 -2,-0.7 22,-0.1 0.347 63.8-143.0 121.4 124.7 52.5 50.4 22.8 11 28 A G + 0 0 0 4,-0.2 27,-2.2 20,-0.1 28,-0.2 -0.138 65.6 105.5-108.6 44.1 53.1 47.1 21.1 12 29 A G S > S- 0 0 12 126,-0.5 4,-2.3 25,-0.2 5,-0.4 -0.090 90.2 -57.9-104.1-157.0 56.8 47.3 20.7 13 30 A S H > S+ 0 0 23 25,-0.3 4,-1.3 1,-0.2 5,-0.1 0.839 132.7 35.0 -51.6 -52.8 59.8 45.8 22.5 14 31 A G H > S+ 0 0 5 124,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.873 118.7 48.1 -74.8 -42.8 59.0 46.9 26.0 15 32 A G H > S+ 0 0 0 123,-0.4 4,-2.5 2,-0.2 5,-0.2 0.912 113.9 46.8 -64.4 -50.8 55.2 46.7 25.9 16 33 A L H X S+ 0 0 10 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.938 113.5 48.0 -55.4 -53.2 55.1 43.3 24.4 17 34 A A H X S+ 0 0 7 -4,-1.3 4,-1.2 -5,-0.4 -1,-0.2 0.852 115.1 46.0 -58.7 -40.1 57.7 41.9 26.9 18 35 A S H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.896 113.9 47.4 -65.5 -51.3 55.9 43.4 29.8 19 36 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.946 112.3 50.9 -60.4 -46.9 52.4 42.2 28.7 20 37 A R H X S+ 0 0 78 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.855 113.2 42.3 -59.4 -44.2 53.6 38.7 28.0 21 38 A R H X S+ 0 0 58 -4,-1.2 4,-0.8 -5,-0.2 -1,-0.2 0.903 112.6 54.1 -73.2 -39.9 55.3 38.2 31.4 22 39 A A H ><>S+ 0 0 0 -4,-2.4 5,-1.6 1,-0.2 3,-1.2 0.919 106.0 53.4 -57.8 -48.6 52.5 39.8 33.2 23 40 A A H ><5S+ 0 0 19 -4,-2.7 3,-2.2 1,-0.3 -2,-0.2 0.919 104.1 55.5 -57.8 -42.9 50.1 37.3 31.5 24 41 A E H 3<5S+ 0 0 127 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.746 102.8 57.6 -56.4 -27.4 52.2 34.4 32.7 25 42 A L T <<5S- 0 0 55 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.473 129.0 -96.8 -84.5 -4.7 51.8 35.7 36.2 26 43 A G T < 5S+ 0 0 63 -3,-2.2 -3,-0.2 -4,-0.3 -2,-0.1 0.313 74.4 145.0 110.0 -6.2 47.9 35.5 35.9 27 44 A A < - 0 0 12 -5,-1.6 2,-0.9 -6,-0.2 -1,-0.3 -0.300 51.2-131.5 -66.1 146.7 47.2 39.0 34.9 28 45 A R + 0 0 100 -2,-0.1 -23,-3.7 78,-0.1 -22,-1.7 -0.813 44.2 175.8 -98.5 105.4 44.4 39.8 32.5 29 46 A A E -d 6 0B 1 -2,-0.9 78,-2.3 76,-0.3 2,-0.3 -0.801 25.6-163.5-116.0 152.6 46.2 42.2 30.1 30 47 A A E -df 7 107B 0 -24,-1.9 -22,-2.3 -2,-0.3 2,-0.5 -0.974 11.8-147.6-132.3 142.8 45.5 44.1 26.9 31 48 A V E -df 8 108B 0 76,-2.9 78,-3.3 -2,-0.3 2,-0.5 -0.972 9.1-153.7-108.9 123.4 48.0 45.7 24.4 32 49 A V E +df 9 109B 3 -24,-3.3 -22,-2.2 -2,-0.5 2,-0.4 -0.845 22.5 170.1 -94.7 131.6 46.9 48.8 22.6 33 50 A E E - f 0 110B 21 76,-2.0 78,-2.9 -2,-0.5 4,-0.1 -0.976 24.0-173.3-144.5 127.5 48.8 49.2 19.2 34 51 A S S S+ 0 0 52 -2,-0.4 78,-0.1 76,-0.2 -1,-0.1 0.712 78.4 19.8 -97.5 -18.2 48.1 51.7 16.6 35 52 A H S S- 0 0 153 1,-0.2 2,-0.4 76,-0.1 -2,-0.1 0.264 112.0 -31.6-116.4-116.9 50.5 50.4 14.0 36 53 A K > - 0 0 136 1,-0.0 3,-1.6 -2,-0.0 -1,-0.2 -0.874 59.9-109.8-113.8 140.7 52.3 47.1 13.6 37 54 A L T 3 S+ 0 0 14 -2,-0.4 -25,-0.2 1,-0.2 60,-0.1 -0.244 101.4 52.7 -61.7 154.4 53.3 44.8 16.3 38 55 A G T 3> S- 0 0 2 -27,-2.2 4,-1.0 4,-0.1 3,-0.3 -0.003 91.2-149.9 106.5 -29.8 57.0 44.5 16.9 39 56 A G H <> - 0 0 18 -3,-1.6 4,-1.8 -27,-0.2 5,-0.4 -0.120 55.4 -21.8 64.5-148.8 57.2 48.3 17.1 40 57 A T H > S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.906 133.0 55.1 -61.6 -46.6 60.4 50.1 16.1 41 58 A a H > S+ 0 0 6 -3,-0.3 6,-1.8 4,-0.2 4,-0.9 0.944 116.3 34.6 -55.7 -50.8 62.9 47.2 16.3 42 59 A V H < S+ 0 0 3 -4,-1.0 -1,-0.2 4,-0.2 -2,-0.2 0.924 126.4 36.5 -71.1 -48.9 61.1 44.8 14.1 43 60 A N H < S- 0 0 29 -4,-1.8 -3,-0.2 1,-0.2 -2,-0.2 0.938 140.1 -3.3 -76.6 -46.6 59.6 47.2 11.6 44 61 A V H < S+ 0 0 40 -4,-1.6 -3,-0.2 -5,-0.4 -1,-0.2 -0.127 123.9 43.3-140.2 35.6 62.2 49.9 11.0 45 62 A G S X S+ 0 0 17 -4,-0.9 4,-2.3 -5,-0.2 5,-0.3 -0.105 105.0 7.5-147.3-127.9 65.1 49.2 13.5 46 63 A a H > S+ 0 0 49 1,-0.2 4,-2.3 3,-0.2 -4,-0.2 0.872 125.0 44.1 -39.2 -57.7 67.2 46.3 14.8 47 64 A V H > S+ 0 0 15 -6,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.955 117.1 38.2 -61.3 -68.5 65.9 43.6 12.3 48 65 A P H > S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.872 118.4 56.5 -56.0 -32.3 65.8 45.3 8.8 49 66 A K H X S+ 0 0 24 -4,-2.3 4,-2.5 -8,-0.3 -2,-0.2 0.954 106.6 45.1 -58.1 -53.8 69.1 47.0 10.0 50 67 A K H X S+ 0 0 60 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.817 110.4 55.0 -63.8 -38.2 70.9 43.7 10.7 51 68 A V H X S+ 0 0 29 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.889 110.7 45.8 -59.0 -49.0 69.7 42.2 7.4 52 69 A M H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.836 111.9 52.5 -63.0 -38.5 71.2 45.2 5.5 53 70 A W H X S+ 0 0 18 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.926 106.6 50.5 -65.3 -40.9 74.4 44.9 7.6 54 71 A N H X S+ 0 0 85 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.855 110.7 53.0 -64.0 -32.3 74.8 41.2 6.7 55 72 A T H X S+ 0 0 19 -4,-1.3 4,-1.4 2,-0.2 3,-0.2 0.927 109.6 45.9 -64.7 -48.4 74.3 42.4 3.1 56 73 A A H >X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 3,-0.5 0.931 108.1 58.6 -60.9 -43.5 77.1 45.0 3.5 57 74 A V H 3X S+ 0 0 24 -4,-3.0 4,-2.2 1,-0.3 -1,-0.2 0.855 103.3 51.9 -55.1 -36.6 79.3 42.4 5.1 58 75 A H H 3X S+ 0 0 139 -4,-1.2 4,-2.2 -3,-0.2 -1,-0.3 0.861 103.8 57.5 -65.6 -39.8 78.9 40.2 2.0 59 76 A S H < S+ 0 0 76 -4,-2.2 3,-1.6 1,-0.2 4,-0.4 0.932 104.1 58.8 -64.2 -40.4 84.1 39.8 2.1 62 79 A M H >< S+ 0 0 56 -4,-2.2 3,-0.9 1,-0.3 4,-0.4 0.765 96.8 63.2 -56.9 -27.0 83.5 39.5 -1.7 63 80 A H H 3< S+ 0 0 118 -4,-0.7 -1,-0.3 -3,-0.3 4,-0.3 0.768 103.5 50.0 -66.7 -27.4 86.5 42.1 -2.0 64 81 A D T S+ 0 0 64 -3,-0.9 5,-1.7 -4,-0.4 3,-1.1 0.904 82.6 45.2 -52.0 -49.7 87.6 36.7 -2.8 66 83 A A G >45S+ 0 0 50 -4,-0.4 3,-1.8 1,-0.3 -1,-0.3 0.892 107.6 58.1 -65.9 -40.2 90.5 36.8 -5.1 67 84 A D G 345S+ 0 0 51 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.2 0.733 102.6 57.7 -59.1 -20.9 93.0 37.0 -2.3 68 85 A Y G <<5S- 0 0 96 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.402 127.5 -87.2 -99.8 11.5 91.6 33.8 -1.0 69 86 A G T < 5S+ 0 0 71 -3,-1.8 -3,-0.2 1,-0.4 -2,-0.1 0.469 93.0 109.8 110.3 -5.0 92.2 31.6 -4.1 70 87 A F S - 0 0 79 -2,-0.3 4,-0.9 1,-0.2 3,-0.5 -0.734 14.9-170.5-107.7 107.3 70.8 44.5 -6.6 79 96 A W H > S+ 0 0 7 -2,-1.0 4,-2.2 1,-0.2 3,-0.3 0.859 79.2 56.1 -57.8 -42.1 68.9 46.4 -4.0 80 97 A R H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.879 99.5 59.9 -67.7 -26.4 65.4 45.2 -4.8 81 98 A V H > S+ 0 0 62 -3,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.911 112.4 36.0 -59.9 -53.2 66.1 41.7 -4.4 82 99 A I H X S+ 0 0 38 -4,-0.9 4,-2.1 -3,-0.3 5,-0.2 0.738 113.2 59.4 -76.9 -26.4 67.2 42.0 -0.8 83 100 A K H X S+ 0 0 23 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.922 105.4 47.0 -71.9 -36.7 64.8 44.6 -0.1 84 101 A E H X S+ 0 0 89 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.894 114.6 48.4 -64.8 -42.9 61.8 42.4 -1.0 85 102 A K H X S+ 0 0 136 -4,-1.3 4,-1.7 -5,-0.2 -1,-0.2 0.821 109.2 51.7 -66.2 -33.2 63.3 39.6 1.1 86 103 A R H X S+ 0 0 4 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.914 110.1 50.5 -68.8 -45.7 63.9 41.8 4.0 87 104 A D H X S+ 0 0 64 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.841 108.0 51.0 -62.0 -38.9 60.3 43.0 4.0 88 105 A A H X S+ 0 0 43 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.905 107.7 54.5 -64.4 -43.1 58.9 39.5 3.8 89 106 A Y H X S+ 0 0 77 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.835 107.8 49.0 -59.6 -39.6 61.1 38.6 6.8 90 107 A V H X S+ 0 0 14 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.848 109.0 53.0 -67.2 -37.3 59.6 41.4 8.8 91 108 A S H X S+ 0 0 73 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.932 106.4 54.1 -63.2 -44.2 56.1 40.3 7.7 92 109 A R H X S+ 0 0 143 -4,-2.4 4,-1.6 1,-0.2 3,-0.3 0.926 109.4 47.2 -54.5 -46.9 57.0 36.9 9.0 93 110 A L H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.872 105.6 59.0 -66.1 -38.4 57.9 38.3 12.4 94 111 A N H X S+ 0 0 26 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.920 106.7 47.2 -61.4 -35.0 54.8 40.4 12.7 95 112 A A H X S+ 0 0 60 -4,-1.6 4,-2.3 -3,-0.3 -1,-0.2 0.881 109.5 53.2 -77.2 -29.8 52.7 37.4 12.4 96 113 A I H X S+ 0 0 61 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.855 109.1 49.8 -63.9 -41.9 54.7 35.5 15.0 97 114 A Y H X S+ 0 0 34 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.862 109.7 50.8 -64.3 -42.1 54.3 38.3 17.5 98 115 A Q H X S+ 0 0 85 -4,-1.6 4,-2.5 -5,-0.2 3,-0.3 0.956 110.7 48.5 -62.0 -45.0 50.7 38.4 16.9 99 116 A N H X S+ 0 0 79 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.866 106.3 58.1 -64.4 -35.9 50.4 34.8 17.5 100 117 A N H X S+ 0 0 30 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.884 107.2 48.3 -59.9 -36.7 52.5 35.2 20.7 101 118 A L H ><>S+ 0 0 1 -4,-1.7 5,-2.1 -3,-0.3 3,-1.4 0.994 111.6 50.1 -68.2 -51.9 50.0 37.6 22.0 102 119 A T H ><5S+ 0 0 70 -4,-2.5 3,-2.3 1,-0.3 -2,-0.2 0.896 107.2 50.7 -50.8 -54.8 47.2 35.2 21.2 103 120 A K H 3<5S+ 0 0 132 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.753 110.6 52.5 -57.8 -23.2 48.6 32.1 22.8 104 121 A S T <<5S- 0 0 35 -3,-1.4 -1,-0.3 -4,-1.0 -2,-0.2 0.391 113.9-118.3 -90.8 -7.3 49.2 34.2 26.0 105 122 A H T < 5 + 0 0 150 -3,-2.3 2,-0.6 -4,-0.4 -76,-0.3 0.831 59.4 156.0 71.6 29.3 45.6 35.3 26.0 106 123 A I < - 0 0 8 -5,-2.1 -1,-0.2 -6,-0.2 2,-0.2 -0.724 40.0-132.6 -87.4 129.5 46.6 38.9 25.6 107 124 A E E -f 30 0B 80 -78,-2.3 -76,-2.9 -2,-0.6 2,-0.5 -0.555 13.3-148.0 -80.1 141.8 44.0 41.1 24.1 108 125 A I E -f 31 0B 27 -78,-0.2 2,-0.5 -2,-0.2 -76,-0.2 -0.956 7.8-164.9-108.6 118.1 45.1 43.4 21.3 109 126 A I E -f 32 0B 12 -78,-3.3 -76,-2.0 -2,-0.5 2,-0.4 -0.962 16.2-146.9-105.1 119.2 43.2 46.7 21.0 110 127 A R E +f 33 0B 165 -2,-0.5 2,-0.3 -78,-0.2 -76,-0.2 -0.808 52.4 49.0 -93.5 129.4 44.0 48.2 17.7 111 128 A G S S- 0 0 18 -78,-2.9 2,-0.5 -2,-0.4 -76,-0.1 -0.851 89.6 -49.0 138.3-177.2 44.2 51.9 17.4 112 129 A H - 0 0 100 -2,-0.3 14,-0.4 -78,-0.1 2,-0.3 -0.840 50.8-147.6-102.6 125.0 45.7 55.0 18.9 113 130 A A + 0 0 6 -2,-0.5 2,-0.3 12,-0.1 12,-0.2 -0.721 19.2 173.0 -95.0 153.1 45.4 55.4 22.6 114 131 A A E -B 124 0A 22 10,-1.2 10,-2.5 -2,-0.3 168,-0.2 -0.978 32.7-110.9-149.7 142.5 45.0 58.7 24.6 115 132 A F E -B 123 0A 5 166,-2.7 2,-0.3 -2,-0.3 8,-0.3 -0.252 34.5-131.6 -68.0 158.6 44.3 59.3 28.3 116 133 A T - 0 0 9 6,-2.7 6,-0.3 2,-0.1 -1,-0.1 -0.700 20.9-112.1-108.9 171.7 41.0 60.8 29.4 117 134 A S S S+ 0 0 92 -2,-0.3 -1,-0.1 4,-0.1 6,-0.0 0.784 78.8 123.4 -65.4 -28.8 39.9 63.6 31.6 118 135 A D - 0 0 54 4,-0.1 4,-0.3 1,-0.1 -2,-0.1 0.114 68.7-125.3 -45.8 144.8 38.5 60.9 34.0 119 136 A P S S+ 0 0 117 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.967 96.9 57.3 -59.1 -71.5 39.6 60.8 37.5 120 137 A K S S- 0 0 128 1,-0.1 -2,-0.0 11,-0.0 0, 0.0 -0.505 114.0 -90.8 -68.9 133.3 40.7 57.1 37.7 121 138 A P + 0 0 31 0, 0.0 11,-0.6 0, 0.0 2,-0.3 -0.185 65.3 161.4 -49.2 119.6 43.3 56.8 35.0 122 139 A T E - C 0 131A 2 -4,-0.3 -6,-2.7 -6,-0.3 2,-0.3 -0.995 25.2-151.3-146.3 143.8 41.5 55.7 31.9 123 140 A I E -BC 115 130A 0 7,-1.7 7,-2.4 -2,-0.3 2,-0.4 -0.780 6.3-146.3-110.7 163.4 42.3 55.7 28.2 124 141 A E E -BC 114 129A 79 -10,-2.5 -10,-1.2 -2,-0.3 2,-0.4 -0.982 13.0-178.9-126.5 133.4 40.1 55.9 25.1 125 142 A V E > S- C 0 128A 3 3,-2.4 3,-1.1 -2,-0.4 -12,-0.1 -0.923 76.8 -18.9-135.4 108.1 40.8 54.1 21.8 126 143 A S T 3 S- 0 0 104 -14,-0.4 -1,-0.1 -2,-0.4 3,-0.1 0.952 127.7 -49.0 66.0 48.6 38.4 54.7 19.0 127 144 A G T 3 S+ 0 0 56 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.206 116.3 107.3 75.8 -17.8 35.5 56.0 21.2 128 145 A K E < - 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0 0 47 -4,-0.9 29,-1.9 -3,-0.7 2,-0.3 0.965 27.1-164.3 60.7 57.7 91.8 45.8 39.2 412 429 A K E < -UT 439 407G 93 -5,-2.4 -5,-1.5 27,-0.2 2,-0.9 -0.566 23.2-116.8 -66.2 134.5 88.2 45.4 39.0 413 430 A V E + T 0 406G 3 25,-2.2 -7,-0.3 -2,-0.3 24,-0.1 -0.613 45.8 161.3 -78.1 106.8 87.1 45.4 35.4 414 431 A V E + 0 0 11 -9,-1.7 -49,-2.8 -2,-0.9 2,-0.3 0.489 62.5 25.1-100.1 -3.6 84.8 48.4 35.0 415 432 A G E -RT 364 405G 0 -10,-1.5 -10,-3.0 -51,-0.3 2,-0.4 -0.953 50.9-171.9-164.0 136.8 84.9 48.8 31.2 416 433 A I E +RT 363 404G 0 -53,-1.9 -53,-2.5 -2,-0.3 2,-0.4 -0.991 15.0 174.8-128.3 128.1 85.6 46.8 28.0 417 434 A H E +RT 362 403G 0 -14,-2.2 -14,-2.5 -2,-0.4 2,-0.3 -0.997 9.8 151.8-135.7 129.6 85.8 48.6 24.6 418 435 A M E -RT 361 402G 0 -57,-2.0 -57,-2.0 -2,-0.4 2,-0.3 -0.987 25.4-163.5-155.8 159.7 86.7 47.0 21.3 419 436 A Q E +RT 360 401G 1 -18,-2.3 -18,-1.8 -2,-0.3 2,-0.2 -0.994 42.0 88.8-142.6 135.1 86.3 47.2 17.7 420 437 A G S > S- 0 0 0 -61,-2.1 3,-2.2 -2,-0.3 4,-0.2 -0.830 74.6 -41.3 159.2 168.0 87.1 44.4 15.2 421 438 A L T 3 S+ 0 0 38 1,-0.3 32,-0.1 -2,-0.2 -31,-0.1 -0.358 124.5 14.5 -57.1 124.8 86.0 41.4 13.2 422 439 A G T >> S+ 0 0 37 -2,-0.1 3,-1.2 31,-0.1 4,-0.9 0.248 86.4 121.7 97.5 -16.9 83.9 39.2 15.5 423 440 A C H <> + 0 0 0 -3,-2.2 4,-0.8 1,-0.2 -2,-0.1 0.580 64.0 65.8 -60.6 -14.0 83.3 41.8 18.1 424 441 A D H 34 S+ 0 0 36 -4,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.830 112.1 33.0 -72.3 -35.3 79.4 41.6 17.7 425 442 A E H <4 S+ 0 0 152 -3,-1.2 4,-0.3 1,-0.1 -2,-0.2 0.549 111.4 64.6 -95.9 -9.4 79.4 38.0 19.0 426 443 A M H X S+ 0 0 23 -4,-0.9 4,-0.8 1,-0.2 3,-0.3 0.803 89.5 68.8 -86.9 -28.3 82.3 38.3 21.5 427 444 A L H X S+ 0 0 4 -4,-0.8 4,-2.0 1,-0.2 5,-0.2 0.834 77.3 73.5 -59.3 -51.6 80.7 40.8 23.7 428 445 A Q H > S+ 0 0 131 -4,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.850 100.9 39.7 -39.5 -56.4 77.9 38.9 25.5 429 446 A G H > S+ 0 0 49 -4,-0.3 4,-2.1 -3,-0.3 3,-0.5 0.875 112.4 53.6 -72.1 -36.8 79.9 36.7 27.9 430 447 A F H X S+ 0 0 35 -4,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.899 106.5 56.3 -60.9 -26.3 82.4 39.3 28.8 431 448 A A H X S+ 0 0 8 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.854 105.5 50.5 -72.8 -28.8 79.4 41.4 29.7 432 449 A V H X S+ 0 0 79 -4,-1.1 4,-2.0 -3,-0.5 -1,-0.2 0.930 111.3 48.4 -67.6 -49.5 78.3 38.6 32.0 433 450 A A H <>S+ 0 0 26 -4,-2.1 5,-2.2 1,-0.2 4,-0.3 0.821 110.8 50.2 -57.4 -39.0 81.8 38.7 33.6 434 451 A V H ><5S+ 0 0 6 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.925 108.0 52.8 -73.3 -37.8 81.6 42.4 34.0 435 452 A K H 3<5S+ 0 0 112 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.885 106.3 54.9 -60.0 -38.5 78.2 42.2 35.6 436 453 A M T 3<5S- 0 0 156 -4,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.469 119.1-108.9 -75.0 -8.9 79.5 39.7 38.2 437 454 A G T < 5 - 0 0 32 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.853 50.5-179.0 89.9 37.3 82.3 42.0 39.2 438 455 A A < - 0 0 11 -5,-2.2 -25,-2.2 -25,-0.1 2,-0.2 -0.347 13.7-146.4 -74.3 152.8 85.2 40.2 37.8 439 456 A T B > -U 412 0G 36 -27,-0.3 4,-1.4 -33,-0.1 3,-0.4 -0.580 34.5 -96.1 -97.3 179.9 88.7 41.5 38.2 440 457 A K H > S+ 0 0 5 -29,-1.9 4,-3.2 -30,-0.4 5,-0.2 0.800 122.9 61.1 -69.2 -26.5 91.6 41.2 35.8 441 458 A A H > S+ 0 0 48 -31,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.906 100.8 54.9 -66.3 -32.4 92.9 38.1 37.6 442 459 A D H 4 S+ 0 0 82 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.959 111.6 42.3 -63.6 -48.9 89.6 36.5 36.7 443 460 A F H >< S+ 0 0 7 -4,-1.4 3,-1.6 1,-0.2 -2,-0.2 0.927 114.5 51.8 -60.3 -46.6 90.2 37.2 33.0 444 461 A D H 3< S+ 0 0 67 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.744 104.4 56.5 -63.9 -27.0 93.8 36.3 33.3 445 462 A N T 3< S+ 0 0 129 -4,-2.1 2,-0.5 -5,-0.2 -1,-0.3 0.332 85.5 98.2 -88.3 5.3 93.0 32.9 34.9 446 463 A T S < S- 0 0 82 -3,-1.6 2,-0.1 -4,-0.2 -3,-0.0 -0.828 82.0-119.2 -93.7 122.9 90.8 31.9 32.0 447 464 A V - 0 0 132 -2,-0.5 -2,-0.1 1,-0.1 2,-0.1 -0.477 34.3-115.7 -67.9 135.1 92.5 29.6 29.5 448 465 A A - 0 0 36 -4,-0.1 2,-0.5 -2,-0.1 -1,-0.1 -0.265 12.9-129.7 -71.6 154.8 92.6 31.2 26.1 449 466 A I - 0 0 114 -2,-0.1 3,-0.4 3,-0.0 6,-0.4 -0.970 38.8-119.5-106.9 118.4 90.9 29.9 23.0 450 467 A H S S+ 0 0 145 -2,-0.5 3,-0.1 1,-0.3 0, 0.0 -0.941 80.8 13.5-122.3 137.9 93.3 29.7 20.1 451 468 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.441 97.4 107.0 -95.7 126.1 93.4 31.0 17.4 452 469 A T - 0 0 55 -3,-0.4 -63,-0.1 1,-0.1 4,-0.0 -0.871 69.7-121.5-142.3 177.0 90.7 33.7 17.9 453 470 A S S > S+ 0 0 22 -2,-0.3 3,-1.8 2,-0.1 4,-0.3 0.773 108.3 64.4 -86.0 -39.0 90.4 37.4 18.4 454 471 A S G > S+ 0 0 32 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.766 85.4 70.9 -63.8 -27.7 88.7 36.9 21.7 455 472 A E G > S+ 0 0 23 -6,-0.4 3,-0.7 1,-0.2 4,-0.3 0.711 85.4 71.0 -62.1 -22.1 91.7 35.3 23.3 456 473 A E G X S+ 0 0 51 -3,-1.8 3,-1.0 1,-0.2 -1,-0.2 0.834 90.7 58.1 -63.5 -31.1 93.4 38.8 23.3 457 474 A L G < S+ 0 0 0 -3,-1.2 3,-0.4 -4,-0.3 -1,-0.2 0.742 108.0 46.5 -72.8 -22.3 91.1 40.0 26.0 458 475 A V G < S+ 0 0 17 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.396 112.3 49.5 -99.3 2.1 92.3 37.3 28.3 459 476 A T S < S+ 0 0 74 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.2 -0.151 74.8 142.0-129.7 32.7 96.1 37.8 27.6 460 477 A L 0 0 5 -3,-0.4 -76,-0.1 1,-0.2 -3,-0.0 -0.612 360.0 360.0 -77.6 138.2 96.4 41.5 28.1 461 478 A R 0 0 273 -2,-0.3 -1,-0.2 -78,-0.3 -77,-0.1 0.526 360.0 360.0-139.6 360.0 99.5 42.7 29.8 462 ! 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 0.0 463 481 A X 0 0 344 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 63.4 36.4 17.6