==== 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 23-SEP-98 1BWC . COMPND 2 MOLECULE: PROTEIN (GLUTATHIONE REDUCTASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.GALLWITZ,S.BONSE,A.MARTINEZ-CRUZ,I.SCHLICHTING,K.SCHUMACHE . 461 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 69.6 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 . 38 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 2 0 0 1 0 0 0 1 3 0 0 1 0 0 1 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 0 115 0, 0.0 129,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 110.2 16.1 47.9 43.4 2 19 A A E -a 130 0A 24 127,-1.7 129,-2.4 1,-0.0 2,-0.4 -0.529 360.0-145.5 -85.5 145.3 16.3 51.6 42.4 3 20 A S E +a 131 0A 66 -2,-0.2 2,-0.3 127,-0.2 129,-0.2 -0.884 20.5 168.6-120.4 139.2 13.3 53.2 40.5 4 21 A Y - 0 0 21 127,-1.8 130,-0.2 -2,-0.4 3,-0.2 -0.856 41.4-123.7-132.2 167.3 13.0 55.9 37.8 5 22 A D S S+ 0 0 72 23,-1.8 129,-0.5 1,-0.3 2,-0.4 0.747 103.7 20.5 -71.1 -33.3 10.3 57.2 35.5 6 23 A Y E -d 29 0B 0 22,-1.8 24,-2.2 127,-0.1 2,-0.5 -0.954 64.0-169.7-149.3 115.8 12.5 56.4 32.5 7 24 A L E -de 30 135B 0 127,-2.4 129,-2.7 -2,-0.4 2,-0.5 -0.948 11.9-164.9-107.8 126.7 15.4 54.0 32.2 8 25 A V E -de 31 136B 0 22,-2.6 24,-3.1 -2,-0.5 2,-0.8 -0.967 8.9-152.6-116.8 122.2 17.4 54.2 28.9 9 26 A I E S+de 32 137B 7 127,-3.3 129,-2.6 -2,-0.5 24,-0.1 -0.843 71.4 27.1 -95.2 108.7 19.8 51.5 27.9 10 27 A G - 0 0 9 22,-2.6 23,-0.2 -2,-0.8 130,-0.1 0.369 63.2-140.7 109.2 117.6 22.5 53.0 25.7 11 28 A G + 0 0 0 4,-0.2 27,-2.9 21,-0.1 28,-0.3 -0.229 65.3 107.3-102.9 45.1 23.9 56.5 25.8 12 29 A G S > S- 0 0 11 126,-0.5 4,-2.6 26,-0.2 5,-0.4 -0.018 90.3 -54.2 -95.4-150.9 24.3 57.0 22.1 13 30 A S H > S+ 0 0 28 25,-0.3 4,-1.7 1,-0.2 5,-0.1 0.915 134.9 34.6 -59.2 -53.8 22.3 59.1 19.6 14 31 A G H > S+ 0 0 6 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.895 119.1 50.8 -69.0 -40.7 18.8 57.8 20.3 15 32 A G H > S+ 0 0 0 123,-0.3 4,-2.7 2,-0.2 5,-0.2 0.948 113.2 42.7 -66.5 -50.7 19.3 57.2 24.0 16 33 A L H X S+ 0 0 13 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.888 112.6 54.7 -63.3 -39.9 20.7 60.6 24.9 17 34 A A H X S+ 0 0 6 -4,-1.7 4,-1.7 -5,-0.4 -1,-0.2 0.891 114.4 40.4 -57.9 -39.3 18.1 62.3 22.7 18 35 A S H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.895 112.5 52.7 -86.2 -42.7 15.2 60.6 24.5 19 36 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.908 111.9 48.6 -49.0 -47.9 16.6 60.8 28.0 20 37 A R H X S+ 0 0 80 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.926 111.6 46.0 -65.0 -50.0 17.1 64.6 27.5 21 38 A R H X S+ 0 0 57 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.918 112.3 52.1 -61.4 -43.6 13.6 65.4 26.1 22 39 A A H <>S+ 0 0 0 -4,-2.3 5,-2.8 2,-0.2 4,-0.2 0.877 108.8 50.5 -61.0 -40.2 12.0 63.3 28.8 23 40 A A H ><5S+ 0 0 20 -4,-1.9 3,-1.8 3,-0.2 -2,-0.2 0.951 108.2 52.6 -62.0 -49.4 13.9 65.2 31.5 24 41 A E H 3<5S+ 0 0 136 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.858 107.3 52.9 -46.0 -43.6 12.7 68.5 29.9 25 42 A L T 3<5S- 0 0 48 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.445 129.6 -99.0 -82.8 -1.4 9.2 67.1 30.1 26 43 A G T < 5S+ 0 0 62 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.597 73.8 140.7 104.0 14.0 9.7 66.4 33.8 27 44 A A < - 0 0 13 -5,-2.8 2,-0.7 -6,-0.1 -1,-0.3 -0.504 55.2-120.9 -82.2 156.6 10.6 62.7 34.0 28 45 A R - 0 0 136 -2,-0.2 -23,-1.8 78,-0.1 -22,-1.8 -0.887 46.1-175.7 -97.8 108.5 13.2 61.3 36.3 29 46 A A E -d 6 0B 3 -2,-0.7 78,-2.0 76,-0.3 2,-0.3 -0.796 21.8-168.6-118.3 147.7 15.5 59.6 33.9 30 47 A A E -df 7 107B 0 -24,-2.2 -22,-2.6 -2,-0.3 2,-0.5 -0.991 9.3-153.3-130.3 143.7 18.6 57.4 34.0 31 48 A V E -df 8 108B 0 76,-2.7 78,-3.1 -2,-0.3 2,-0.5 -0.976 6.5-153.1-114.3 127.1 21.0 56.4 31.1 32 49 A V E +df 9 109B 3 -24,-3.1 -22,-2.6 -2,-0.5 2,-0.4 -0.871 19.7 174.9 -96.1 126.6 22.9 53.2 31.3 33 50 A E E - f 0 110B 17 76,-2.5 78,-2.0 -2,-0.5 4,-0.1 -0.984 22.1-172.6-138.7 127.4 26.2 53.2 29.3 34 51 A S S S+ 0 0 54 -2,-0.4 78,-0.2 76,-0.2 -1,-0.1 0.615 81.8 9.6 -91.4 -16.7 28.9 50.5 29.1 35 52 A H S S- 0 0 147 76,-0.1 2,-0.4 1,-0.1 -2,-0.1 0.184 115.7 -22.7-128.1-112.9 31.5 52.5 27.1 36 53 A K > - 0 0 112 3,-0.0 3,-1.4 -2,-0.0 -1,-0.1 -0.892 61.5-107.1-115.4 145.5 31.5 56.2 26.2 37 54 A L T 3 S+ 0 0 2 -2,-0.4 -25,-0.2 1,-0.2 60,-0.1 -0.321 101.8 44.4 -64.0 144.2 28.6 58.7 26.0 38 55 A G T 3> S- 0 0 2 -27,-2.9 4,-1.6 -26,-0.1 3,-0.4 0.136 91.0-151.5 99.0 -18.8 27.7 59.7 22.5 39 56 A G H <> - 0 0 17 -3,-1.4 4,-2.0 -28,-0.3 5,-0.4 -0.168 56.2 -15.0 64.2-138.7 27.8 56.2 21.2 40 57 A T H > S+ 0 0 52 2,-0.2 4,-1.3 3,-0.2 5,-0.3 0.915 132.8 54.2 -76.2 -43.0 28.6 55.4 17.6 41 58 A a H 4 S+ 0 0 18 -3,-0.4 6,-2.8 4,-0.2 4,-0.5 0.944 118.9 34.7 -57.4 -46.8 28.2 58.9 16.1 42 59 A V H < S+ 0 0 5 -4,-1.6 -1,-0.2 4,-0.2 -2,-0.2 0.888 128.6 29.3 -72.7 -43.2 30.6 60.5 18.5 43 60 A N H < S+ 0 0 31 -4,-2.0 -3,-0.2 -7,-0.1 -2,-0.1 0.888 136.1 3.2 -96.5 -43.7 33.2 57.8 19.1 44 61 A V S < S+ 0 0 40 -4,-1.3 -3,-0.2 -5,-0.4 -1,-0.1 -0.086 122.7 39.3-136.1 31.4 33.6 55.5 16.0 45 62 A G S > S+ 0 0 15 -4,-0.5 4,-2.9 -5,-0.3 5,-0.2 -0.186 104.5 4.3-152.7-127.5 31.3 57.0 13.5 46 63 A a H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 -4,-0.2 0.795 121.5 47.5 -66.6 -35.1 30.0 60.2 12.1 47 64 A V H > S+ 0 0 34 -6,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.960 117.9 37.5 -72.7 -54.2 32.2 62.7 14.0 48 65 A P H > S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 -2,-0.2 0.895 116.7 56.5 -61.7 -36.0 35.6 61.1 13.6 49 66 A K H X S+ 0 0 23 -4,-2.9 4,-2.1 -8,-0.2 -2,-0.2 0.928 106.3 48.4 -55.8 -48.9 34.6 60.1 10.0 50 67 A K H X S+ 0 0 58 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.883 108.3 53.5 -64.8 -39.7 33.8 63.7 9.2 51 68 A V H X S+ 0 0 33 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.916 111.9 45.9 -61.4 -39.9 37.1 65.0 10.5 52 69 A M H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.813 111.2 52.1 -72.7 -32.4 39.0 62.4 8.3 53 70 A W H X S+ 0 0 20 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.939 108.2 50.9 -67.0 -47.5 36.8 63.4 5.3 54 71 A N H X S+ 0 0 79 -4,-2.9 4,-1.4 2,-0.2 -2,-0.2 0.870 111.4 49.7 -50.0 -42.4 37.7 67.1 5.9 55 72 A T H X S+ 0 0 21 -4,-1.6 4,-1.3 -5,-0.2 -2,-0.2 0.939 108.2 52.7 -63.8 -46.7 41.4 65.9 6.0 56 73 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.859 106.5 51.7 -60.2 -38.5 41.0 63.9 2.8 57 74 A V H X S+ 0 0 24 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.824 103.4 59.1 -72.8 -27.1 39.5 66.9 0.9 58 75 A H H X S+ 0 0 144 -4,-1.4 4,-2.0 -5,-0.2 -1,-0.2 0.851 103.7 53.6 -56.6 -35.7 42.5 68.9 2.1 59 76 A S H X S+ 0 0 19 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.922 107.9 48.2 -66.7 -42.9 44.5 66.3 0.2 60 77 A E H X S+ 0 0 25 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.819 110.9 50.5 -68.2 -31.6 42.6 66.8 -3.0 61 78 A F H X S+ 0 0 90 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.848 101.4 61.6 -80.8 -30.8 43.0 70.6 -2.8 62 79 A M H >< S+ 0 0 54 -4,-2.0 3,-1.1 1,-0.2 4,-0.4 0.924 103.7 52.8 -47.4 -45.3 46.7 70.2 -2.3 63 80 A H H 3< S+ 0 0 110 -4,-1.4 3,-0.4 1,-0.2 4,-0.3 0.896 108.2 47.8 -60.3 -42.7 46.7 68.5 -5.7 64 81 A D H 3X S+ 0 0 3 -4,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.494 86.9 98.6 -79.3 -1.5 44.9 71.5 -7.4 65 82 A H T X<>S+ 0 0 65 -3,-1.1 3,-1.5 -4,-0.5 5,-1.4 0.923 79.7 45.3 -58.2 -60.2 47.2 74.0 -5.8 66 83 A A G >45S+ 0 0 45 -4,-0.4 3,-1.4 -3,-0.4 -1,-0.2 0.821 108.3 60.7 -53.6 -33.8 49.7 74.6 -8.7 67 84 A D G 345S+ 0 0 61 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.834 100.3 55.5 -61.8 -30.1 46.7 74.9 -11.1 68 85 A Y G <<5S- 0 0 96 -3,-1.5 -1,-0.3 -4,-1.2 -2,-0.2 0.281 129.7 -92.9 -93.8 13.7 45.4 77.8 -9.0 69 86 A G T < 5S+ 0 0 73 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.650 86.9 124.3 94.6 18.5 48.6 79.8 -9.4 70 87 A F S - 0 0 85 -2,-0.3 4,-1.0 1,-0.2 3,-0.5 -0.856 13.3-177.2-104.0 100.4 51.3 63.0 9.1 79 96 A W H > S+ 0 0 0 -2,-0.8 4,-2.5 1,-0.2 3,-0.3 0.889 77.7 64.1 -62.0 -43.5 48.5 60.7 10.3 80 97 A R H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.849 99.5 53.8 -46.5 -41.7 49.7 60.9 14.0 81 98 A V H > S+ 0 0 69 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.906 113.2 37.8 -71.9 -46.4 49.0 64.7 14.1 82 99 A I H X S+ 0 0 34 -4,-1.0 4,-2.8 -3,-0.3 -1,-0.2 0.863 112.5 60.2 -74.5 -31.8 45.3 64.7 13.0 83 100 A K H X S+ 0 0 10 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.913 106.2 47.3 -59.4 -43.1 44.7 61.4 14.9 84 101 A E H X S+ 0 0 103 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.894 113.4 46.9 -63.3 -43.6 45.7 63.2 18.1 85 102 A K H X S+ 0 0 139 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.895 112.3 51.0 -66.8 -39.3 43.5 66.2 17.4 86 103 A R H X S+ 0 0 4 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.915 109.7 49.2 -67.0 -45.7 40.6 64.0 16.4 87 104 A D H X S+ 0 0 61 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.866 111.0 50.5 -54.0 -42.5 40.9 61.9 19.7 88 105 A A H X S+ 0 0 46 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.830 109.2 50.3 -75.5 -32.0 40.9 65.1 21.7 89 106 A Y H X S+ 0 0 95 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.866 110.9 49.5 -70.4 -37.8 37.8 66.5 20.0 90 107 A V H X S+ 0 0 14 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.969 110.7 49.2 -64.5 -50.1 36.0 63.2 20.7 91 108 A S H X S+ 0 0 62 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.872 107.4 57.1 -54.8 -41.6 37.0 63.2 24.4 92 109 A R H X S+ 0 0 135 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.925 107.5 47.1 -52.5 -49.6 35.8 66.8 24.5 93 110 A L H X S+ 0 0 21 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.836 105.7 59.0 -64.2 -35.5 32.4 65.7 23.3 94 111 A N H X S+ 0 0 19 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.934 110.0 43.7 -55.4 -47.2 32.3 62.8 25.8 95 112 A A H X S+ 0 0 60 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.877 108.8 56.8 -70.2 -40.7 32.7 65.4 28.6 96 113 A I H X S+ 0 0 77 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.891 111.0 45.4 -54.3 -41.6 30.1 67.8 27.1 97 114 A Y H X S+ 0 0 82 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.942 111.5 48.8 -72.0 -49.4 27.6 64.9 27.2 98 115 A Q H X S+ 0 0 83 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.890 114.8 48.8 -52.4 -40.8 28.3 63.7 30.7 99 116 A N H X S+ 0 0 80 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.854 110.6 47.6 -74.4 -35.8 28.0 67.4 31.8 100 117 A N H X S+ 0 0 53 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.894 111.8 50.8 -71.9 -40.7 24.7 68.1 30.0 101 118 A L H <>S+ 0 0 2 -4,-2.6 5,-2.8 2,-0.2 -2,-0.2 0.919 113.0 46.8 -54.5 -46.2 23.2 64.9 31.4 102 119 A T H ><5S+ 0 0 75 -4,-1.9 3,-1.9 -5,-0.2 -2,-0.2 0.905 108.0 54.1 -68.9 -43.1 24.3 65.9 34.9 103 120 A K H 3<5S+ 0 0 145 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.831 110.1 48.9 -56.3 -34.3 23.0 69.5 34.6 104 121 A S T 3<5S- 0 0 41 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.334 116.2-118.7 -88.8 7.8 19.7 68.0 33.7 105 122 A H T < 5 + 0 0 167 -3,-1.9 2,-0.6 1,-0.2 -76,-0.3 0.838 60.7 152.5 51.8 36.7 19.8 65.7 36.7 106 123 A I < - 0 0 5 -5,-2.8 -1,-0.2 -6,-0.1 -76,-0.2 -0.885 45.0-127.5 -88.0 121.3 19.7 62.6 34.4 107 124 A E E -f 30 0B 101 -78,-2.0 -76,-2.7 -2,-0.6 2,-0.5 -0.482 14.8-144.9 -71.9 135.4 21.5 59.9 36.4 108 125 A I E -f 31 0B 27 -78,-0.2 2,-0.5 -2,-0.2 -76,-0.2 -0.937 10.0-164.7 -99.8 124.9 24.3 58.0 34.6 109 126 A I E -f 32 0B 8 -78,-3.1 -76,-2.5 -2,-0.5 2,-0.6 -0.960 13.6-145.4-107.9 122.5 24.6 54.4 35.4 110 127 A R E +f 33 0B 118 -2,-0.5 2,-0.3 -78,-0.2 -76,-0.2 -0.795 53.2 38.3 -99.3 121.0 28.0 52.9 34.2 111 128 A G S S- 0 0 19 -78,-2.0 2,-0.7 -2,-0.6 -76,-0.1 -0.841 90.2 -41.3 139.5-175.5 28.2 49.4 33.0 112 129 A H - 0 0 96 -2,-0.3 14,-0.4 -78,-0.2 2,-0.3 -0.791 49.4-149.9 -95.2 111.1 26.4 46.6 30.9 113 130 A A + 0 0 4 -2,-0.7 2,-0.3 12,-0.1 12,-0.2 -0.579 18.9 172.5 -69.9 135.7 22.7 46.3 31.4 114 131 A A E -B 124 0A 21 10,-1.4 10,-2.5 -2,-0.3 168,-0.2 -0.973 33.9-112.1-129.1 153.9 20.9 43.0 31.0 115 132 A F E -B 123 0A 2 166,-2.4 8,-0.2 -2,-0.3 2,-0.1 -0.480 31.8-141.0 -70.0 146.4 17.3 42.2 31.8 116 133 A T - 0 0 8 6,-2.2 6,-0.2 -2,-0.2 -1,-0.1 -0.393 23.4-108.2 -99.6-179.0 16.5 39.9 34.7 117 134 A S S S+ 0 0 97 -2,-0.1 6,-0.1 4,-0.1 -2,-0.0 0.328 75.3 127.0 -98.0 7.4 13.9 37.2 35.1 118 135 A D - 0 0 53 4,-0.2 4,-0.2 1,-0.1 -2,-0.0 -0.207 66.7-127.2 -53.6 154.1 11.9 39.3 37.5 119 136 A P S S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.909 96.8 65.6 -84.3 -46.3 8.2 39.7 36.5 120 137 A K S S- 0 0 109 1,-0.1 2,-0.5 11,-0.0 -2,-0.0 -0.512 112.1 -95.8 -51.2 135.4 8.2 43.4 36.6 121 138 A P + 0 0 35 0, 0.0 11,-0.6 0, 0.0 2,-0.3 -0.622 65.3 157.9 -66.0 121.6 10.6 44.6 33.8 122 139 A T E - C 0 131A 6 -2,-0.5 -6,-2.2 -4,-0.2 2,-0.3 -0.987 26.5-156.9-153.7 134.1 13.8 45.2 35.6 123 140 A I E -BC 115 130A 0 7,-2.6 7,-2.9 -2,-0.3 2,-0.4 -0.769 7.9-146.7-110.5 168.8 17.5 45.4 34.5 124 141 A E E -BC 114 129A 79 -10,-2.5 -10,-1.4 -2,-0.3 2,-0.4 -1.000 9.4-172.5-137.9 141.0 20.7 44.8 36.4 125 142 A V E > S- C 0 128A 4 3,-2.5 3,-2.5 -2,-0.4 -12,-0.1 -0.998 81.6 -9.7-132.1 126.0 24.1 46.5 36.0 126 143 A S T 3 S- 0 0 106 -14,-0.4 -1,-0.2 -2,-0.4 3,-0.1 0.947 130.5 -65.5 40.4 73.3 27.2 45.2 38.0 127 144 A G T 3 S+ 0 0 60 1,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.369 107.7 124.3 -49.5 77.9 24.5 43.4 39.6 128 145 A K E < - 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0 0 46 -3,-0.6 29,-2.5 -4,-0.4 2,-0.2 0.982 26.7-161.0 56.3 57.4 5.1 66.0 -11.7 412 429 A K E < -UT 439 407G 77 -5,-2.3 -5,-2.8 27,-0.3 2,-0.9 -0.533 23.3-118.7 -53.8 130.4 5.4 65.7 -8.0 413 430 A V E + T 0 406G 2 25,-2.9 -7,-0.2 -7,-0.2 25,-0.2 -0.744 46.5 161.6 -77.3 108.0 9.1 65.5 -7.1 414 431 A V E + 0 0 9 -9,-2.0 -49,-2.9 -2,-0.9 2,-0.3 0.446 60.9 31.7-106.0 -3.7 9.4 62.1 -5.4 415 432 A G E -RT 364 405G 0 -10,-1.4 -10,-2.6 -51,-0.3 2,-0.4 -0.968 50.4-178.2-156.4 133.5 13.2 61.7 -5.8 416 433 A I E +RT 363 404G 0 -53,-2.5 -53,-2.5 -2,-0.3 2,-0.4 -0.998 12.8 174.2-127.1 136.3 16.4 63.7 -5.9 417 434 A H E +RT 362 403G 0 -14,-2.3 -14,-2.3 -2,-0.4 2,-0.3 -0.990 8.5 156.0-141.8 128.1 19.8 62.1 -6.4 418 435 A M E -RT 361 402G 0 -57,-2.8 -57,-2.6 -2,-0.4 2,-0.3 -0.994 24.8-167.4-149.5 153.5 23.2 63.9 -6.9 419 436 A Q E +RT 360 401G 0 -18,-2.1 -18,-2.2 -2,-0.3 2,-0.3 -0.966 43.9 98.5-137.3 130.4 26.9 63.5 -6.6 420 437 A G S > S- 0 0 0 -61,-2.1 3,-1.5 -2,-0.3 4,-0.3 -0.950 74.4 -50.1 176.1 169.4 29.1 66.6 -6.9 421 438 A L T 3 S+ 0 0 42 -2,-0.3 32,-0.1 1,-0.2 -31,-0.1 -0.471 123.5 12.1 -55.2 123.4 31.1 69.2 -5.1 422 439 A G T >> S+ 0 0 38 -2,-0.2 4,-1.0 31,-0.1 3,-1.0 0.351 86.7 122.2 94.3 -5.7 29.0 70.9 -2.5 423 440 A C H <> + 0 0 0 -3,-1.5 4,-0.9 1,-0.3 -2,-0.1 0.667 64.5 67.7 -70.6 -17.3 26.2 68.3 -2.6 424 441 A D H 34 S+ 0 0 34 -4,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.855 110.4 32.6 -66.6 -38.2 26.6 67.6 1.1 425 442 A E H <4 S+ 0 0 157 -3,-1.0 4,-0.3 1,-0.1 -2,-0.2 0.534 112.8 67.8 -91.3 -9.4 25.4 71.1 2.0 426 443 A M H X S+ 0 0 23 -4,-1.0 4,-0.8 1,-0.1 3,-0.3 0.799 88.0 63.7 -72.8 -34.2 23.0 71.2 -0.9 427 444 A L H X S+ 0 0 4 -4,-0.9 4,-2.1 1,-0.2 3,-0.4 0.859 82.6 68.6 -76.4 -39.5 20.6 68.5 0.1 428 445 A Q H > S+ 0 0 132 -4,-0.3 4,-1.6 1,-0.3 -1,-0.2 0.860 102.0 46.7 -54.1 -46.1 18.8 69.7 3.3 429 446 A G H > S+ 0 0 52 -4,-0.3 4,-1.7 -3,-0.3 -1,-0.3 0.898 112.8 49.3 -61.7 -41.1 16.9 72.5 1.7 430 447 A F H X S+ 0 0 35 -4,-0.8 4,-2.1 -3,-0.4 -1,-0.2 0.828 107.1 55.4 -70.0 -29.9 15.7 70.4 -1.2 431 448 A A H X S+ 0 0 5 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.820 103.3 55.7 -74.9 -31.7 14.6 67.6 1.2 432 449 A V H X S+ 0 0 80 -4,-1.6 4,-0.9 -5,-0.2 -2,-0.2 0.944 109.6 46.8 -54.6 -53.6 12.4 70.2 3.0 433 450 A A H <>S+ 0 0 28 -4,-1.7 5,-1.7 1,-0.2 3,-0.4 0.878 111.0 51.7 -54.5 -42.8 10.8 70.9 -0.4 434 451 A V H ><5S+ 0 0 6 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.876 105.4 54.6 -70.1 -35.7 10.3 67.2 -1.1 435 452 A K H 3<5S+ 0 0 105 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.710 104.9 56.4 -67.1 -22.8 8.7 66.6 2.3 436 453 A M T 3<5S- 0 0 155 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.429 121.5-107.9 -82.8 -0.4 6.2 69.4 1.4 437 454 A G T < 5 - 0 0 29 -3,-1.5 -3,-0.2 -24,-0.1 -2,-0.1 0.884 49.3-170.5 69.0 41.9 5.2 67.6 -1.8 438 455 A A < - 0 0 9 -5,-1.7 -25,-2.9 -25,-0.2 2,-0.2 -0.322 7.4-149.0 -64.1 143.8 7.0 70.0 -4.1 439 456 A T B > -U 412 0G 29 -27,-0.3 4,-1.4 1,-0.1 3,-0.5 -0.701 31.2-101.6-107.8 167.6 6.3 69.6 -7.8 440 457 A K H > S+ 0 0 7 -29,-2.5 4,-2.8 -30,-0.4 5,-0.2 0.856 122.0 62.1 -61.5 -31.3 8.7 70.5 -10.6 441 458 A A H > S+ 0 0 52 -31,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.929 99.6 54.0 -55.7 -46.5 6.8 73.7 -11.2 442 459 A D H 4 S+ 0 0 91 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.886 111.9 45.3 -55.7 -39.3 7.7 74.8 -7.6 443 460 A F H >< S+ 0 0 8 -4,-1.4 3,-1.6 1,-0.2 -2,-0.2 0.938 111.1 52.0 -67.2 -46.7 11.4 74.2 -8.5 444 461 A D H 3< S+ 0 0 75 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.741 106.6 54.1 -67.2 -23.5 11.2 75.9 -11.9 445 462 A N T 3< S+ 0 0 138 -4,-1.9 2,-0.6 -5,-0.2 -1,-0.3 0.294 85.0 96.6-101.4 9.5 9.6 79.1 -10.4 446 463 A T S < S- 0 0 85 -3,-1.6 2,-0.1 -5,-0.2 -4,-0.0 -0.883 84.2-117.2 -89.4 125.2 12.4 79.5 -7.8 447 464 A V - 0 0 135 -2,-0.6 -2,-0.1 1,-0.1 2,-0.1 -0.368 33.3-113.8 -62.7 138.8 14.9 82.0 -9.1 448 465 A A - 0 0 37 -4,-0.1 2,-0.6 10,-0.1 -1,-0.1 -0.318 13.9-130.7 -75.2 153.3 18.4 80.5 -9.6 449 466 A I > - 0 0 113 -2,-0.1 3,-0.7 3,-0.0 6,-0.5 -0.949 37.1-125.6-104.9 119.2 21.5 81.4 -7.6 450 467 A H T 3 S+ 0 0 142 -2,-0.6 3,-0.1 1,-0.3 4,-0.0 -0.848 79.9 18.3-119.0 147.7 24.4 82.1 -10.0 451 468 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.417 97.3 105.6 -86.2 117.8 27.1 81.0 -10.2 452 469 A T < - 0 0 55 -3,-0.7 4,-0.1 1,-0.1 -3,-0.0 -0.923 68.8-124.4-133.8 166.8 26.6 77.8 -8.1 453 470 A S S > S+ 0 0 23 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 0.828 107.6 65.8 -66.4 -36.4 26.2 74.1 -8.8 454 471 A S G > S+ 0 0 31 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.774 83.9 71.0 -66.3 -27.8 22.9 74.1 -6.9 455 472 A E G > S+ 0 0 25 -6,-0.5 3,-0.9 1,-0.3 -1,-0.3 0.663 83.2 73.3 -63.3 -18.0 21.1 76.4 -9.5 456 473 A E G X S+ 0 0 58 -3,-1.7 3,-0.9 1,-0.2 -1,-0.3 0.781 86.8 62.0 -66.7 -27.4 21.1 73.4 -12.0 457 474 A L G < S+ 0 0 1 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.650 106.8 45.2 -74.2 -15.9 18.4 71.7 -10.0 458 475 A V G < S+ 0 0 18 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.328 112.4 51.5-106.6 6.8 16.0 74.6 -10.6 459 476 A T S < S+ 0 0 67 -3,-0.9 -2,-0.2 -4,-0.2 -1,-0.1 0.113 72.1 138.0-129.9 20.1 16.9 74.9 -14.3 460 477 A L 0 0 12 -3,-0.2 -76,-0.1 1,-0.1 -3,-0.0 -0.408 360.0 360.0 -67.7 144.5 16.4 71.3 -15.6 461 478 A R 0 0 284 -78,-0.2 -1,-0.1 -2,-0.1 0, 0.0 0.681 360.0 360.0-129.9 360.0 14.6 71.0 -19.0