==== 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) 05-FEB-88 3GRS . COMPND 2 MOLECULE: GLUTATHIONE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.E.SCHULZ,P.A.KARPLUS . 461 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 69.8 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 . 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 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 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 0 114 0, 0.0 2,-0.3 0, 0.0 129,-0.2 0.000 360.0 360.0 360.0 103.6 34.4 50.9 30.5 2 19 A A E -a 130 0A 42 127,-1.7 129,-2.4 1,-0.0 2,-0.4 -0.526 360.0-148.7 -80.0 132.3 36.2 47.7 30.2 3 20 A S E +a 131 0A 86 -2,-0.3 2,-0.2 127,-0.2 129,-0.2 -0.813 18.9 173.4-110.6 138.3 38.4 46.8 32.9 4 21 A Y - 0 0 23 127,-2.1 130,-0.2 -2,-0.4 25,-0.2 -0.807 39.8-122.2-127.3 173.3 41.8 44.9 32.9 5 22 A D S S+ 0 0 70 23,-3.0 129,-0.4 1,-0.3 2,-0.3 0.769 101.4 12.6 -82.2 -32.1 44.6 44.0 35.3 6 23 A Y E -d 29 0B 0 22,-1.7 24,-1.7 127,-0.1 2,-0.5 -0.959 62.9-165.2-149.8 128.6 47.1 45.6 33.1 7 24 A L E -de 30 135B 0 127,-1.8 129,-2.7 -2,-0.3 2,-0.5 -0.975 10.4-163.3-115.2 128.0 46.8 47.9 30.1 8 25 A V E -de 31 136B 0 22,-2.5 24,-3.2 -2,-0.5 2,-0.8 -0.936 6.8-153.1-116.2 119.9 49.9 48.3 28.0 9 26 A I E S+de 32 137B 7 127,-3.1 129,-3.2 -2,-0.5 24,-0.1 -0.892 70.9 30.4 -96.8 108.3 50.1 51.3 25.5 10 27 A G - 0 0 8 22,-2.6 23,-0.2 -2,-0.8 2,-0.2 0.347 64.8-139.6 115.4 124.8 52.4 50.4 22.7 11 28 A G + 0 0 0 4,-0.2 27,-2.8 20,-0.1 28,-0.3 -0.203 65.2 106.7-106.8 49.7 53.1 46.9 21.2 12 29 A G S > S- 0 0 11 126,-0.5 4,-2.4 25,-0.2 5,-0.4 -0.115 88.9 -53.8-104.6-156.1 56.8 47.3 20.7 13 30 A S H > S+ 0 0 27 25,-0.3 4,-1.5 1,-0.2 5,-0.1 0.886 134.0 31.8 -49.9 -55.7 59.8 45.8 22.5 14 31 A G H > S+ 0 0 6 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.907 118.8 51.8 -76.4 -39.5 59.0 46.8 26.0 15 32 A G H > S+ 0 0 0 123,-0.4 4,-2.5 1,-0.2 5,-0.2 0.935 113.5 43.6 -62.0 -52.0 55.2 46.7 25.8 16 33 A L H X S+ 0 0 10 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.930 114.2 49.9 -60.3 -47.7 55.0 43.2 24.4 17 34 A A H X S+ 0 0 6 -4,-1.5 4,-1.8 -5,-0.4 -1,-0.2 0.906 114.7 44.8 -58.1 -43.4 57.7 41.9 26.8 18 35 A S H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.915 113.3 49.8 -66.6 -46.6 55.9 43.4 29.9 19 36 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.939 111.1 50.1 -60.4 -45.5 52.4 42.2 28.7 20 37 A R H X S+ 0 0 76 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.903 112.4 44.7 -60.7 -44.1 53.7 38.6 28.2 21 38 A R H X S+ 0 0 58 -4,-1.8 4,-1.1 -5,-0.2 -1,-0.2 0.918 112.2 52.5 -70.9 -39.5 55.3 38.3 31.5 22 39 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 3,-0.9 0.942 108.1 51.6 -58.3 -47.2 52.3 39.8 33.3 23 40 A A H ><5S+ 0 0 20 -4,-2.6 3,-2.0 1,-0.3 -1,-0.2 0.900 105.3 55.8 -60.7 -39.3 50.0 37.4 31.6 24 41 A E H 3<5S+ 0 0 129 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.780 104.3 54.7 -59.3 -29.2 52.2 34.4 32.7 25 42 A L T <<5S- 0 0 54 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.382 130.5 -96.2 -87.7 1.7 51.8 35.7 36.2 26 43 A G T < 5S+ 0 0 63 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.348 74.1 145.9 102.6 -2.9 47.9 35.6 35.8 27 44 A A < - 0 0 10 -5,-2.0 2,-0.9 -6,-0.2 -1,-0.3 -0.362 50.9-131.4 -67.2 142.5 47.2 39.1 34.9 28 45 A R + 0 0 98 -2,-0.1 -23,-3.0 78,-0.1 -22,-1.7 -0.830 43.9 177.9 -91.6 107.3 44.4 39.8 32.5 29 46 A A E -d 6 0B 1 -2,-0.9 78,-1.9 76,-0.3 2,-0.3 -0.812 24.9-165.9-118.0 156.0 46.2 42.2 30.1 30 47 A A E -df 7 107B 0 -24,-1.7 -22,-2.5 -2,-0.3 2,-0.5 -0.980 12.0-148.0-136.3 144.0 45.5 44.0 26.9 31 48 A V E -df 8 108B 0 76,-3.1 78,-3.3 -2,-0.3 2,-0.5 -0.976 7.4-152.4-114.4 128.0 48.0 45.7 24.5 32 49 A V E +df 9 109B 2 -24,-3.2 -22,-2.6 -2,-0.5 2,-0.4 -0.876 21.7 171.9 -96.6 126.6 47.0 48.8 22.6 33 50 A E E - f 0 110B 21 76,-2.3 78,-2.2 -2,-0.5 4,-0.1 -0.977 23.0-172.8-139.3 125.7 48.8 49.2 19.2 34 51 A S S S+ 0 0 50 -2,-0.4 78,-0.1 76,-0.2 -1,-0.1 0.712 78.8 13.7 -91.1 -18.5 48.1 51.8 16.6 35 52 A H S S- 0 0 153 1,-0.2 2,-0.4 76,-0.1 -2,-0.1 0.160 113.2 -24.0-122.9-117.8 50.5 50.4 13.9 36 53 A K > - 0 0 131 1,-0.0 3,-1.5 -2,-0.0 -1,-0.2 -0.813 60.8-113.8-105.9 143.4 52.3 47.1 13.6 37 54 A L T 3 S+ 0 0 15 -2,-0.4 -25,-0.2 1,-0.2 60,-0.1 -0.313 100.2 50.7 -66.1 153.8 53.3 44.9 16.4 38 55 A G T 3> S- 0 0 3 -27,-2.8 4,-1.3 59,-0.1 -25,-0.3 0.089 93.8-148.6 104.1 -23.7 56.9 44.5 17.1 39 56 A G H <> - 0 0 15 -3,-1.5 4,-2.0 -28,-0.3 5,-0.4 -0.055 53.6 -21.1 60.5-151.0 57.2 48.3 17.1 40 57 A T H > S+ 0 0 53 1,-0.2 4,-2.1 3,-0.2 5,-0.2 0.898 132.9 55.3 -60.0 -46.2 60.4 50.1 16.0 41 58 A a H > S+ 0 0 17 -3,-0.3 6,-2.0 4,-0.2 4,-1.0 0.948 116.3 34.0 -56.9 -49.7 62.9 47.2 16.4 42 59 A V H < S+ 0 0 7 -4,-1.3 -1,-0.2 4,-0.2 -2,-0.2 0.931 127.7 35.4 -71.2 -47.0 61.1 44.7 14.2 43 60 A N H < S- 0 0 29 -4,-2.0 -3,-0.2 -7,-0.1 -2,-0.2 0.894 140.1 -2.0 -78.8 -45.3 59.6 47.1 11.6 44 61 A V H < S+ 0 0 38 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.1 -0.036 124.0 41.9-141.5 32.6 62.2 49.9 11.1 45 62 A G S X S+ 0 0 18 -4,-1.0 4,-2.4 -5,-0.2 5,-0.3 -0.123 104.5 8.4-143.7-124.3 65.1 49.1 13.5 46 63 A a H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -4,-0.2 0.828 123.6 44.6 -39.6 -58.1 67.1 46.3 14.8 47 64 A V H > S+ 0 0 31 -6,-2.0 4,-2.0 2,-0.2 5,-0.2 0.978 116.8 38.7 -63.8 -62.7 65.9 43.6 12.4 48 65 A P H > S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.882 116.4 55.3 -58.7 -34.8 65.8 45.2 9.0 49 66 A K H X S+ 0 0 24 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.938 106.8 49.7 -60.1 -46.5 69.1 47.0 9.9 50 67 A K H X S+ 0 0 60 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.882 108.7 51.9 -63.1 -37.8 70.8 43.7 10.7 51 68 A V H X S+ 0 0 30 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.922 111.5 47.4 -63.8 -44.0 69.7 42.1 7.4 52 69 A M H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.872 110.9 52.8 -65.1 -35.7 71.2 45.2 5.6 53 70 A W H X S+ 0 0 18 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.940 106.5 51.2 -64.8 -42.0 74.4 44.8 7.6 54 71 A N H X S+ 0 0 80 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.868 110.5 51.4 -61.4 -33.6 74.7 41.2 6.7 55 72 A T H X S+ 0 0 19 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.923 109.9 46.8 -67.4 -47.9 74.3 42.3 3.1 56 73 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 3,-0.3 0.895 108.3 57.5 -61.5 -40.6 77.0 45.0 3.4 57 74 A V H X S+ 0 0 24 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.887 104.2 52.4 -58.7 -37.7 79.3 42.4 5.1 58 75 A H H X S+ 0 0 139 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.836 104.2 56.5 -62.4 -40.2 78.9 40.2 2.0 59 76 A S H X S+ 0 0 16 -4,-1.3 4,-0.9 -3,-0.3 -2,-0.2 0.920 112.2 42.1 -57.9 -48.4 80.0 43.1 -0.2 60 77 A E H X S+ 0 0 21 -4,-1.9 4,-0.5 2,-0.2 3,-0.4 0.875 112.1 51.0 -66.8 -45.9 83.2 43.4 1.9 61 78 A F H >< S+ 0 0 76 -4,-2.4 3,-2.0 1,-0.2 4,-0.2 0.925 103.7 59.9 -58.8 -42.4 84.0 39.8 2.1 62 79 A M H >< S+ 0 0 52 -4,-2.2 3,-1.1 1,-0.3 11,-0.4 0.769 95.8 64.7 -57.3 -28.4 83.5 39.6 -1.7 63 80 A H H 3< S+ 0 0 114 -4,-0.9 -1,-0.3 -3,-0.4 4,-0.2 0.780 102.8 48.3 -64.7 -26.7 86.4 42.1 -2.0 64 81 A D T S+ 0 0 68 -3,-1.1 5,-1.8 1,-0.2 3,-0.7 0.912 82.4 46.4 -54.8 -50.1 87.6 36.6 -2.8 66 83 A A G >45S+ 0 0 51 -4,-0.4 3,-1.9 1,-0.3 -1,-0.2 0.878 107.9 57.0 -64.7 -38.1 90.5 36.8 -5.1 67 84 A D G 345S+ 0 0 50 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.756 103.8 56.2 -62.0 -25.6 93.0 37.0 -2.3 68 85 A Y G <<5S- 0 0 93 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.287 128.8 -90.5 -93.0 10.5 91.6 33.8 -1.0 69 86 A G T < 5S+ 0 0 69 -3,-1.9 -3,-0.2 1,-0.4 -2,-0.1 0.586 89.3 111.6 102.2 3.8 92.2 31.8 -4.1 70 87 A F S > - 0 0 85 -2,-0.3 4,-1.0 1,-0.2 3,-0.6 -0.794 13.9-169.9-110.7 104.8 70.7 44.5 -6.6 79 96 A W H 3> S+ 0 0 7 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.863 79.8 57.1 -58.6 -43.5 68.9 46.4 -4.0 80 97 A R H 3> S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.844 98.4 60.1 -66.1 -26.4 65.4 45.3 -4.7 81 98 A V H <> S+ 0 0 61 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.943 112.9 36.3 -60.1 -52.0 66.1 41.7 -4.4 82 99 A I H X S+ 0 0 34 -4,-1.0 4,-2.5 1,-0.2 5,-0.2 0.846 112.9 59.2 -77.9 -29.2 67.2 42.0 -0.8 83 100 A K H X S+ 0 0 23 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.933 106.3 47.6 -61.7 -44.8 64.7 44.6 -0.1 84 101 A E H X S+ 0 0 86 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.918 114.4 46.3 -61.0 -42.2 61.9 42.3 -1.0 85 102 A K H X S+ 0 0 135 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.851 111.1 52.4 -70.0 -34.4 63.3 39.5 1.1 86 103 A R H X S+ 0 0 3 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.926 109.2 49.3 -65.9 -46.1 63.9 41.8 4.0 87 104 A D H X S+ 0 0 61 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.868 109.4 52.4 -59.9 -41.2 60.3 43.0 3.9 88 105 A A H X S+ 0 0 44 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.913 107.8 51.8 -62.9 -42.8 59.0 39.4 3.8 89 106 A Y H X S+ 0 0 91 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.907 108.1 50.3 -61.4 -41.4 61.0 38.5 6.9 90 107 A V H X S+ 0 0 15 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.886 108.6 53.5 -61.2 -40.3 59.6 41.4 8.8 91 108 A S H X S+ 0 0 70 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.891 106.5 53.3 -60.2 -41.9 56.1 40.3 7.8 92 109 A R H X S+ 0 0 145 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.908 109.7 47.5 -60.1 -44.4 56.9 36.8 9.1 93 110 A L H X S+ 0 0 24 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.886 106.3 56.4 -66.2 -41.4 57.9 38.4 12.5 94 111 A N H X S+ 0 0 26 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.916 108.7 48.5 -55.5 -42.5 54.8 40.5 12.7 95 112 A A H X S+ 0 0 62 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.889 109.6 52.3 -67.3 -37.3 52.7 37.3 12.4 96 113 A I H X S+ 0 0 85 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.882 108.6 49.8 -62.9 -43.9 54.7 35.5 15.0 97 114 A Y H X S+ 0 0 75 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.875 109.4 51.4 -64.6 -40.0 54.3 38.3 17.5 98 115 A Q H X S+ 0 0 85 -4,-1.6 4,-2.3 -5,-0.2 3,-0.2 0.945 110.5 48.1 -62.5 -46.5 50.7 38.4 17.0 99 116 A N H X S+ 0 0 79 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.901 107.2 57.6 -61.0 -38.7 50.5 34.7 17.6 100 117 A N H X S+ 0 0 33 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.896 108.1 47.5 -58.5 -38.1 52.6 35.1 20.7 101 118 A L H ><>S+ 0 0 1 -4,-1.7 5,-2.4 -3,-0.2 3,-0.8 0.939 112.0 48.6 -70.0 -44.6 50.0 37.5 22.1 102 119 A T H ><5S+ 0 0 69 -4,-2.3 3,-2.4 1,-0.3 -2,-0.2 0.945 107.3 53.8 -63.0 -45.3 47.1 35.2 21.3 103 120 A K H 3<5S+ 0 0 133 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.735 109.7 50.6 -59.7 -23.7 48.7 32.1 22.8 104 121 A S T <<5S- 0 0 35 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.379 114.4-118.2 -92.6 -3.6 49.1 34.1 26.0 105 122 A H T < 5 + 0 0 153 -3,-2.4 2,-0.5 -4,-0.2 -76,-0.3 0.838 60.1 153.5 70.9 29.5 45.5 35.3 26.0 106 123 A I < - 0 0 8 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.2 -0.848 42.2-130.0 -94.3 130.5 46.5 38.9 25.7 107 124 A E E -f 30 0B 78 -78,-1.9 -76,-3.1 -2,-0.5 2,-0.5 -0.571 14.2-148.0 -76.0 138.2 43.9 41.1 24.1 108 125 A I E -f 31 0B 27 -2,-0.2 2,-0.6 -78,-0.2 -76,-0.2 -0.946 8.3-164.5-108.1 121.6 45.1 43.4 21.2 109 126 A I E -f 32 0B 13 -78,-3.3 -76,-2.3 -2,-0.5 2,-0.4 -0.967 14.0-146.5-108.4 120.2 43.3 46.6 21.0 110 127 A R E +f 33 0B 172 -2,-0.6 -76,-0.2 -78,-0.2 2,-0.2 -0.762 52.7 52.0 -93.0 128.5 44.0 48.2 17.7 111 128 A G S S- 0 0 19 -78,-2.2 2,-0.6 -2,-0.4 -76,-0.1 -0.788 88.9 -51.9 140.1 179.5 44.1 52.0 17.4 112 129 A H - 0 0 99 -2,-0.2 14,-0.5 -78,-0.1 2,-0.3 -0.811 50.3-146.4 -97.0 123.6 45.7 55.1 19.0 113 130 A A + 0 0 5 -2,-0.6 2,-0.3 12,-0.1 12,-0.2 -0.643 20.1 173.3 -90.3 148.2 45.4 55.4 22.7 114 131 A A E -B 124 0A 22 10,-1.0 10,-2.5 -2,-0.3 168,-0.2 -0.981 33.2-111.4-144.3 145.9 45.0 58.8 24.6 115 132 A F E -B 123 0A 4 166,-3.1 8,-0.3 -2,-0.3 2,-0.2 -0.443 35.7-131.2 -72.7 156.3 44.3 59.4 28.4 116 133 A T - 0 0 9 6,-2.9 6,-0.3 2,-0.1 -1,-0.1 -0.636 20.9-110.1-107.2 173.5 41.0 60.8 29.3 117 134 A S S S+ 0 0 89 -2,-0.2 -1,-0.1 4,-0.1 6,-0.0 0.707 79.9 122.4 -69.2 -21.3 39.9 63.6 31.5 118 135 A D - 0 0 50 1,-0.1 4,-0.3 4,-0.1 -2,-0.1 -0.058 67.4-128.1 -51.2 146.4 38.5 60.9 33.9 119 136 A P S S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.958 96.8 56.5 -60.8 -69.0 39.7 60.8 37.4 120 137 A K S S- 0 0 133 1,-0.1 -2,-0.0 11,-0.0 0, 0.0 -0.564 116.5 -89.6 -69.0 132.3 40.7 57.2 37.7 121 138 A P + 0 0 30 0, 0.0 11,-0.7 0, 0.0 2,-0.3 -0.218 64.4 165.3 -51.2 121.8 43.3 56.8 34.9 122 139 A T E - C 0 131A 2 -4,-0.3 -6,-2.9 -6,-0.3 2,-0.3 -0.984 22.7-152.0-141.8 143.7 41.4 55.8 31.9 123 140 A I E -BC 115 130A 0 7,-2.2 7,-2.3 -2,-0.3 2,-0.4 -0.842 6.7-144.7-117.1 160.7 42.3 55.7 28.2 124 141 A E E -BC 114 129A 81 -10,-2.5 -10,-1.0 -2,-0.3 2,-0.5 -0.978 13.9-179.3-123.5 132.2 40.1 56.0 25.1 125 142 A V E > S- C 0 128A 2 3,-2.9 3,-1.5 -2,-0.4 -12,-0.1 -0.949 75.9 -21.3-134.7 112.6 40.7 54.1 21.8 126 143 A S T 3 S- 0 0 105 -14,-0.5 -1,-0.1 -2,-0.5 3,-0.1 0.918 127.9 -47.9 61.4 43.7 38.4 54.7 18.9 127 144 A G T 3 S+ 0 0 54 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.173 116.3 107.6 85.9 -22.8 35.5 56.0 21.2 128 145 A K E < - 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0 0 47 -3,-1.2 29,-2.2 -4,-0.4 2,-0.3 0.972 26.7-162.9 60.4 54.7 91.8 45.9 39.1 412 429 A K E < -UT 439 407G 95 -5,-2.5 -5,-1.7 27,-0.3 2,-0.8 -0.514 22.9-117.3 -65.4 134.4 88.2 45.4 38.9 413 430 A V E + T 0 406G 2 25,-2.6 -7,-0.2 -2,-0.3 24,-0.1 -0.608 46.4 161.0 -80.0 107.6 87.1 45.3 35.3 414 431 A V E + 0 0 8 -9,-2.3 -49,-2.8 -2,-0.8 2,-0.3 0.521 62.0 22.3-105.2 -5.9 84.8 48.4 35.0 415 432 A G E -RT 364 405G 0 -10,-1.2 -10,-2.8 -51,-0.3 2,-0.4 -0.956 51.4-171.8-161.3 140.0 84.8 48.8 31.2 416 433 A I E +RT 363 404G 0 -53,-2.2 -53,-2.2 -2,-0.3 2,-0.4 -0.996 14.5 176.4-132.4 129.6 85.5 46.8 28.0 417 434 A H E +RT 362 403G 0 -14,-2.2 -14,-2.3 -2,-0.4 2,-0.3 -0.999 9.1 156.5-136.9 130.0 85.7 48.6 24.6 418 435 A M E -RT 361 402G 0 -57,-2.3 -57,-2.1 -2,-0.4 2,-0.3 -0.996 24.5-166.3-154.5 159.4 86.6 47.0 21.3 419 436 A Q E +RT 360 401G 0 -18,-2.2 -18,-2.1 -2,-0.3 2,-0.2 -0.987 42.5 90.2-143.0 133.5 86.3 47.2 17.6 420 437 A G S > S- 0 0 0 -61,-2.3 3,-2.2 -2,-0.3 4,-0.3 -0.860 75.2 -44.2 158.9 165.0 87.1 44.5 15.2 421 438 A L T 3 S+ 0 0 35 1,-0.3 32,-0.1 -2,-0.2 -31,-0.1 -0.334 124.4 14.1 -56.4 129.1 85.9 41.4 13.2 422 439 A G T >> S+ 0 0 38 31,-0.1 4,-1.0 1,-0.0 3,-1.0 0.331 87.7 119.8 89.0 -10.0 83.8 39.1 15.4 423 440 A C H <> + 0 0 0 -3,-2.2 4,-1.0 -64,-0.2 -2,-0.1 0.717 65.0 66.8 -64.0 -20.5 83.3 41.8 18.1 424 441 A D H 34 S+ 0 0 33 -4,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.872 111.8 32.4 -65.2 -36.6 79.5 41.6 17.6 425 442 A E H <4 S+ 0 0 151 -3,-1.0 4,-0.3 1,-0.1 -1,-0.2 0.550 112.2 65.6 -95.7 -10.1 79.3 38.0 19.0 426 443 A M H X S+ 0 0 25 -4,-1.0 4,-0.8 1,-0.2 3,-0.3 0.766 87.7 66.2 -85.1 -29.0 82.2 38.3 21.4 427 444 A L H X S+ 0 0 4 -4,-1.0 4,-2.2 1,-0.2 3,-0.3 0.833 79.8 74.1 -67.1 -42.5 80.8 40.8 23.8 428 445 A Q H > S+ 0 0 132 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.864 99.5 42.0 -45.4 -51.9 77.9 39.0 25.4 429 446 A G H > S+ 0 0 50 -3,-0.3 4,-1.9 -4,-0.3 -1,-0.2 0.868 112.7 52.6 -71.1 -34.7 79.9 36.6 27.7 430 447 A F H X S+ 0 0 34 -4,-0.8 4,-3.0 -3,-0.3 -1,-0.2 0.872 105.4 57.9 -65.9 -29.1 82.4 39.3 28.8 431 448 A A H X S+ 0 0 6 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.858 104.8 51.1 -63.5 -35.2 79.2 41.4 29.7 432 449 A V H X S+ 0 0 80 -4,-1.3 4,-1.9 -5,-0.2 -2,-0.2 0.959 111.4 46.8 -64.1 -47.9 78.3 38.6 32.0 433 450 A A H <>S+ 0 0 28 -4,-1.9 5,-2.0 1,-0.2 4,-0.4 0.896 112.8 49.2 -62.1 -42.5 81.7 38.6 33.6 434 451 A V H ><5S+ 0 0 5 -4,-3.0 3,-1.5 1,-0.2 -1,-0.2 0.926 108.9 52.6 -65.2 -42.6 81.7 42.4 34.0 435 452 A K H 3<5S+ 0 0 112 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.857 107.4 53.9 -58.9 -35.7 78.2 42.2 35.6 436 453 A M T 3<5S- 0 0 157 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.475 121.2-106.4 -79.0 -9.4 79.5 39.7 38.1 437 454 A G T < 5 - 0 0 32 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.821 50.0-176.2 89.4 35.3 82.3 41.9 39.2 438 455 A A < - 0 0 9 -5,-2.0 -25,-2.6 -25,-0.1 2,-0.2 -0.258 11.2-149.7 -66.8 152.7 85.3 40.3 37.6 439 456 A T B >> -U 412 0G 36 -27,-0.3 4,-1.5 -33,-0.1 3,-0.6 -0.664 34.6 -98.1-107.9 174.0 88.7 41.5 38.1 440 457 A K H 3> S+ 0 0 6 -29,-2.2 4,-2.9 -30,-0.4 5,-0.2 0.859 122.5 60.2 -65.5 -31.8 91.6 41.3 35.8 441 458 A A H 3> S+ 0 0 47 -31,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.860 101.0 56.3 -61.7 -35.7 93.0 38.1 37.6 442 459 A D H <4 S+ 0 0 84 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.935 111.3 42.7 -62.2 -44.3 89.7 36.4 36.7 443 460 A F H >< S+ 0 0 6 -4,-1.5 3,-1.8 1,-0.2 -2,-0.2 0.953 114.7 49.8 -62.8 -50.0 90.2 37.2 33.0 444 461 A D H 3< S+ 0 0 70 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.734 105.9 56.6 -61.9 -28.3 93.9 36.3 33.2 445 462 A N T 3< S+ 0 0 131 -4,-2.0 2,-0.5 -5,-0.2 -1,-0.3 0.265 86.3 96.0 -86.9 6.0 93.1 33.0 34.9 446 463 A T S < S- 0 0 82 -3,-1.8 2,-0.1 12,-0.2 -4,-0.0 -0.886 83.3-118.7 -98.8 123.9 90.8 31.9 32.1 447 464 A V - 0 0 136 -2,-0.5 -2,-0.1 1,-0.1 2,-0.1 -0.406 33.5-116.4 -65.1 137.1 92.6 29.7 29.5 448 465 A A - 0 0 37 -4,-0.1 2,-0.5 10,-0.1 -1,-0.1 -0.317 11.0-131.6 -74.1 159.4 92.6 31.2 26.0 449 466 A I - 0 0 115 -2,-0.1 3,-0.4 3,-0.0 6,-0.4 -0.976 39.1-122.5-111.0 117.7 90.9 29.9 22.9 450 467 A H S S+ 0 0 145 -2,-0.5 3,-0.1 1,-0.3 -2,-0.0 -0.937 79.6 17.7-123.9 140.3 93.4 29.9 20.0 451 468 A P S S+ 0 0 80 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.328 96.5 105.2 -98.3 123.3 93.5 31.0 17.4 452 469 A T - 0 0 54 -3,-0.4 4,-0.1 1,-0.1 -63,-0.0 -0.881 69.7-122.1-142.3 172.4 90.7 33.7 17.8 453 470 A S S > S+ 0 0 23 -2,-0.3 3,-1.9 1,-0.1 4,-0.3 0.798 108.5 66.8 -80.9 -37.2 90.5 37.5 18.3 454 471 A S G > S+ 0 0 31 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.777 84.8 70.2 -58.1 -30.4 88.7 36.9 21.6 455 472 A E G > S+ 0 0 24 -6,-0.4 3,-1.3 1,-0.3 4,-0.3 0.728 83.5 72.6 -61.3 -23.7 91.7 35.4 23.3 456 473 A E G X S+ 0 0 55 -3,-1.9 3,-1.1 1,-0.3 -1,-0.3 0.828 89.6 60.2 -60.7 -31.4 93.4 38.8 23.3 457 474 A L G < S+ 0 0 0 -3,-1.4 3,-0.3 -4,-0.3 -1,-0.3 0.688 106.3 44.4 -72.1 -21.6 91.2 40.0 26.0 458 475 A V G < S+ 0 0 16 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.330 113.5 51.9-101.1 3.3 92.4 37.3 28.4 459 476 A T S < S+ 0 0 74 -3,-1.1 2,-0.2 -4,-0.3 -2,-0.2 -0.017 74.0 139.2-127.3 28.3 96.1 37.8 27.6 460 477 A L 0 0 4 -3,-0.3 -76,-0.1 1,-0.2 -3,-0.0 -0.508 360.0 360.0 -76.3 140.1 96.4 41.6 28.1 461 478 A R 0 0 276 -78,-0.2 -1,-0.2 -2,-0.2 -77,-0.1 0.480 360.0 360.0-141.7 360.0 99.6 42.8 29.8