==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(FLAVOENZYME) 15-DEC-92 1GRG . COMPND 2 MOLECULE: GLUTATHIONE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.A.KARPLUS,G.E.SCHULZ . 461 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22506.0 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 . 36 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 23.9 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 2 0 0 1 0 0 0 2 2 0 0 1 1 0 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 0 113 0, 0.0 2,-0.3 0, 0.0 129,-0.2 0.000 360.0 360.0 360.0 104.9 34.4 51.0 30.6 2 19 A A E -a 130 0A 43 127,-1.7 129,-2.3 1,-0.0 2,-0.4 -0.520 360.0-148.5 -79.2 133.4 36.2 47.7 30.2 3 20 A S E +a 131 0A 85 -2,-0.3 2,-0.3 127,-0.2 129,-0.2 -0.842 19.7 172.2-111.7 140.8 38.5 46.9 33.0 4 21 A Y - 0 0 24 127,-2.0 25,-0.2 -2,-0.4 130,-0.2 -0.804 40.5-122.0-131.9 171.8 41.8 44.9 32.9 5 22 A D S S+ 0 0 69 23,-2.9 129,-0.5 1,-0.3 2,-0.4 0.751 101.5 15.8 -81.9 -33.2 44.6 44.1 35.4 6 23 A Y E -d 29 0B 0 22,-1.9 24,-1.8 127,-0.1 2,-0.5 -0.974 62.0-167.9-148.3 128.5 47.1 45.7 33.1 7 24 A L E -de 30 135B 0 127,-1.8 129,-2.7 -2,-0.4 2,-0.5 -0.980 10.7-165.2-118.0 123.4 46.8 48.0 30.1 8 25 A V E -de 31 136B 0 22,-2.3 24,-3.2 -2,-0.5 2,-0.7 -0.924 7.5-153.4-112.7 121.3 49.9 48.4 28.0 9 26 A I E S+de 32 137B 7 127,-3.1 129,-3.5 -2,-0.5 24,-0.1 -0.905 70.4 33.5 -99.0 108.3 50.0 51.4 25.5 10 27 A G - 0 0 8 22,-2.7 23,-0.2 -2,-0.7 22,-0.1 0.304 65.1-140.6 117.2 125.4 52.4 50.5 22.7 11 28 A G + 0 0 0 4,-0.2 27,-2.4 20,-0.1 28,-0.2 -0.229 64.5 107.4-107.8 45.9 53.0 47.1 21.2 12 29 A G S > S- 0 0 12 126,-0.5 4,-2.8 25,-0.2 5,-0.4 -0.135 90.1 -59.3-100.9-161.8 56.7 47.3 20.7 13 30 A S H > S+ 0 0 22 25,-0.4 4,-2.1 1,-0.2 5,-0.2 0.892 133.4 37.5 -45.9 -61.6 59.6 45.6 22.6 14 31 A G H > S+ 0 0 6 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.900 118.4 48.0 -64.7 -45.5 58.9 46.9 26.0 15 32 A G H > S+ 0 0 0 123,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.932 115.6 43.4 -61.4 -53.0 55.1 46.9 25.9 16 33 A L H X S+ 0 0 11 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.925 114.0 51.1 -59.3 -48.9 54.9 43.3 24.5 17 34 A A H X S+ 0 0 6 -4,-2.1 4,-1.8 -5,-0.4 -1,-0.2 0.898 114.0 44.3 -56.8 -43.9 57.6 41.9 26.9 18 35 A S H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.921 113.6 49.4 -68.2 -44.6 55.8 43.4 29.9 19 36 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.935 111.4 50.1 -60.6 -44.2 52.3 42.3 28.8 20 37 A R H X S+ 0 0 73 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.892 113.0 44.3 -62.4 -42.8 53.6 38.7 28.2 21 38 A R H X S+ 0 0 55 -4,-1.8 4,-1.0 -5,-0.3 -1,-0.2 0.922 112.3 52.6 -72.2 -41.2 55.2 38.3 31.5 22 39 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 3,-1.0 0.936 108.2 50.9 -56.7 -49.2 52.3 39.9 33.3 23 40 A A H ><5S+ 0 0 20 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.904 105.3 56.3 -57.2 -39.2 49.9 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 0.753 104.0 56.1 -59.4 -28.3 52.2 34.5 32.7 25 42 A L T <<5S- 0 0 53 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 0.361 130.1 -96.6 -87.7 0.3 51.7 35.8 36.2 26 43 A G T < 5S+ 0 0 64 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.295 74.8 146.3 103.9 -6.8 47.9 35.6 35.9 27 44 A A < - 0 0 10 -5,-2.0 2,-0.9 -6,-0.2 -1,-0.3 -0.271 50.7-131.3 -65.4 143.9 47.2 39.2 34.9 28 45 A R + 0 0 96 78,-0.1 -23,-2.9 -2,-0.0 -22,-1.9 -0.817 43.6 177.0 -94.7 106.5 44.4 40.0 32.6 29 46 A A E -d 6 0B 1 -2,-0.9 78,-2.1 76,-0.3 2,-0.3 -0.794 24.7-168.8-116.0 156.7 46.2 42.2 30.1 30 47 A A E -df 7 107B 0 -24,-1.8 -22,-2.3 -2,-0.3 2,-0.5 -0.989 13.0-147.8-140.5 143.2 45.4 44.1 26.9 31 48 A V E -df 8 108B 0 76,-3.0 78,-3.5 -2,-0.3 2,-0.5 -0.965 6.8-151.1-116.1 126.2 47.9 45.8 24.6 32 49 A V E +df 9 109B 2 -24,-3.2 -22,-2.7 -2,-0.5 2,-0.4 -0.858 22.5 171.6 -95.3 129.2 46.9 48.9 22.6 33 50 A E E - f 0 110B 21 76,-2.4 78,-2.8 -2,-0.5 4,-0.1 -0.991 22.9-172.1-141.8 127.9 48.8 49.3 19.3 34 51 A S S S+ 0 0 52 -2,-0.4 78,-0.1 76,-0.2 -1,-0.1 0.698 78.3 14.4 -95.1 -18.8 48.1 51.8 16.6 35 52 A H S S- 0 0 151 1,-0.2 2,-0.4 76,-0.1 -2,-0.1 0.221 113.1 -23.4-121.4-118.8 50.4 50.4 14.0 36 53 A K > - 0 0 134 1,-0.0 3,-1.7 -2,-0.0 -1,-0.2 -0.837 60.7-115.0-105.4 139.4 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 61,-0.1 -0.338 101.1 49.8 -64.5 156.2 53.2 44.9 16.4 38 55 A G T 3> S- 0 0 2 -27,-2.4 4,-1.0 59,-0.1 -25,-0.4 -0.047 91.9-155.7 102.2 -29.2 56.9 44.5 17.0 39 56 A G H <> - 0 0 16 -3,-1.7 4,-1.9 -27,-0.2 5,-0.4 -0.131 55.5 -15.2 59.2-144.8 57.1 48.2 17.0 40 57 A T H >>S+ 0 0 54 1,-0.2 4,-2.0 3,-0.2 5,-0.6 0.941 131.6 56.5 -59.9 -50.4 60.4 49.9 16.1 41 58 A X H 45S+ 0 0 64 -3,-0.4 6,-2.6 1,-0.2 4,-0.4 0.882 117.2 31.8 -53.6 -41.1 62.8 46.9 16.5 42 59 A V H <5S+ 0 0 0 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.886 128.0 35.3 -84.0 -41.5 61.0 44.6 14.0 43 60 A N H <5S- 0 0 29 -4,-1.9 -3,-0.2 -7,-0.1 -2,-0.2 0.876 137.6 -1.4 -84.3 -45.4 59.6 47.1 11.5 44 61 A V T <5S+ 0 0 39 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.1 0.018 123.2 38.5-139.5 30.8 62.2 49.9 11.2 45 62 A G S > S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 -4,-0.2 0.786 123.0 42.6 -31.8 -64.2 67.1 46.2 14.8 47 64 A V H > S+ 0 0 16 -6,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.975 117.7 39.1 -61.9 -63.4 65.9 43.5 12.5 48 65 A P H > S+ 0 0 1 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.861 116.6 55.4 -57.0 -35.3 65.8 45.2 9.0 49 66 A K H X S+ 0 0 26 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.951 106.9 48.7 -59.0 -48.2 69.0 47.0 10.0 50 67 A K H X S+ 0 0 62 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.858 109.2 52.3 -62.5 -40.2 70.8 43.7 10.8 51 68 A V H X S+ 0 0 28 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.901 111.0 47.5 -61.2 -45.7 69.7 42.1 7.5 52 69 A M H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.855 111.4 52.1 -65.5 -34.6 71.1 45.2 5.6 53 70 A W H X S+ 0 0 17 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.921 106.5 51.6 -66.3 -43.3 74.3 44.9 7.7 54 71 A N H X S+ 0 0 79 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.850 110.8 51.1 -61.3 -34.1 74.7 41.2 6.8 55 72 A T H X S+ 0 0 21 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.902 109.3 47.3 -67.4 -46.0 74.3 42.3 3.2 56 73 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-0.4 0.908 108.5 57.1 -64.1 -39.2 77.0 45.0 3.5 57 74 A V H X S+ 0 0 23 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.847 103.8 53.1 -59.0 -35.9 79.3 42.4 5.2 58 75 A H H X S+ 0 0 141 -4,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.820 104.2 55.8 -63.5 -41.7 78.9 40.2 2.1 59 76 A S H X S+ 0 0 17 -4,-1.3 4,-0.6 -3,-0.4 -2,-0.2 0.880 111.4 43.8 -57.3 -46.1 80.0 43.1 -0.1 60 77 A E H < S+ 0 0 21 -4,-1.7 4,-0.5 2,-0.2 -2,-0.2 0.827 111.9 50.6 -71.1 -39.2 83.2 43.4 1.9 61 78 A F H >< S+ 0 0 77 -4,-1.8 3,-2.1 1,-0.2 4,-0.3 0.936 104.1 59.3 -66.0 -41.9 84.0 39.8 2.1 62 79 A M H >< S+ 0 0 53 -4,-2.3 3,-0.8 1,-0.3 11,-0.4 0.730 96.4 63.7 -55.6 -26.2 83.5 39.6 -1.7 63 80 A H T 3< S+ 0 0 113 -4,-0.6 -1,-0.3 1,-0.2 4,-0.2 0.769 103.8 48.1 -68.4 -25.5 86.4 42.1 -2.0 64 81 A D T <> S+ 0 0 0 -3,-2.1 4,-1.1 -4,-0.5 -1,-0.2 0.362 83.1 100.0 -92.9 0.3 88.6 39.5 -0.5 65 82 A H T X4>S+ 0 0 67 -3,-0.8 5,-1.8 -4,-0.3 3,-1.0 0.924 82.5 45.4 -54.7 -52.3 87.5 36.7 -2.7 66 83 A A G >45S+ 0 0 49 -4,-0.4 3,-2.2 1,-0.3 -1,-0.2 0.913 108.3 58.1 -61.7 -39.7 90.5 36.8 -5.1 67 84 A D G 345S+ 0 0 49 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.768 102.3 57.5 -58.7 -23.2 92.9 37.0 -2.2 68 85 A Y G <<5S- 0 0 94 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.286 128.6 -91.7 -95.7 12.4 91.5 33.8 -1.0 69 86 A G T < 5S+ 0 0 70 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.537 90.1 113.3 96.8 5.1 92.2 31.8 -4.1 70 87 A F S > - 0 0 86 -2,-0.3 4,-1.0 1,-0.2 3,-0.6 -0.811 14.7-170.9-110.8 103.3 70.7 44.5 -6.6 79 96 A W H 3> S+ 0 0 6 -2,-0.9 4,-2.4 1,-0.2 3,-0.3 0.863 79.7 56.7 -58.7 -44.8 68.9 46.4 -4.0 80 97 A R H 3> S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.866 99.4 59.9 -65.4 -25.6 65.4 45.3 -4.7 81 98 A V H <> S+ 0 0 60 -3,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.926 113.3 36.0 -61.8 -48.6 66.2 41.7 -4.4 82 99 A I H X S+ 0 0 34 -4,-1.0 4,-2.2 -3,-0.3 5,-0.2 0.805 113.0 59.3 -79.1 -28.3 67.2 42.0 -0.8 83 100 A K H X S+ 0 0 23 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.929 106.4 47.2 -66.2 -39.2 64.7 44.6 -0.1 84 101 A E H X S+ 0 0 88 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.911 113.7 47.8 -66.8 -39.9 61.9 42.3 -1.0 85 102 A K H X S+ 0 0 136 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.2 0.821 110.2 52.1 -68.6 -33.9 63.4 39.5 1.1 86 103 A R H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.923 109.0 50.0 -69.0 -44.6 63.9 41.7 4.0 87 104 A D H X S+ 0 0 59 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.876 109.0 52.5 -60.5 -39.7 60.2 42.9 3.9 88 105 A A H X S+ 0 0 41 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.914 107.7 50.9 -62.0 -44.8 59.0 39.4 3.8 89 106 A Y H X S+ 0 0 85 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.884 108.7 50.8 -63.4 -38.1 61.1 38.5 6.8 90 107 A V H X S+ 0 0 14 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.851 108.5 53.5 -64.8 -35.6 59.6 41.4 8.7 91 108 A S H X S+ 0 0 72 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.893 106.4 52.7 -65.0 -42.1 56.1 40.2 7.7 92 109 A R H X S+ 0 0 144 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.918 110.3 47.9 -59.7 -43.9 57.0 36.7 9.1 93 110 A L H X S+ 0 0 12 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.861 106.2 55.6 -66.2 -41.6 57.9 38.3 12.4 94 111 A N H X S+ 0 0 27 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.917 108.5 49.8 -59.9 -35.8 54.8 40.5 12.7 95 112 A A H X S+ 0 0 62 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.903 109.3 51.2 -71.0 -35.0 52.7 37.3 12.3 96 113 A I H X S+ 0 0 84 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.873 108.6 51.0 -64.0 -43.4 54.7 35.5 15.0 97 114 A Y H X S+ 0 0 46 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.847 109.5 50.5 -64.3 -38.2 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 -2,-0.2 0.932 111.4 47.7 -65.2 -45.6 50.6 38.4 16.9 99 116 A N H X S+ 0 0 77 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.893 107.3 57.1 -60.9 -39.3 50.4 34.7 17.5 100 117 A N H X S+ 0 0 34 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.920 107.8 48.7 -60.3 -37.7 52.5 35.1 20.7 101 118 A L H ><>S+ 0 0 1 -4,-1.7 5,-2.4 2,-0.2 3,-0.8 0.961 111.5 48.4 -68.0 -45.4 50.0 37.5 22.0 102 119 A T H ><5S+ 0 0 70 -4,-2.3 3,-2.1 1,-0.3 -2,-0.2 0.937 107.7 53.0 -61.3 -47.0 47.1 35.3 21.2 103 120 A K H 3<5S+ 0 0 131 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.750 110.2 51.2 -59.1 -23.8 48.6 32.1 22.8 104 121 A S T <<5S- 0 0 34 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.455 113.1-121.1 -92.1 -9.1 49.1 34.2 25.9 105 122 A H T < 5 + 0 0 151 -3,-2.1 2,-0.5 -4,-0.4 -76,-0.3 0.821 58.5 154.0 72.4 29.8 45.5 35.3 25.9 106 123 A I < - 0 0 8 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.2 -0.812 42.8-128.1 -92.1 134.7 46.5 39.0 25.7 107 124 A E E -f 30 0B 77 -78,-2.1 -76,-3.0 -2,-0.5 2,-0.5 -0.575 15.2-148.6 -82.0 136.7 43.9 41.2 24.2 108 125 A I E -f 31 0B 27 -2,-0.2 2,-0.6 -78,-0.2 -76,-0.2 -0.939 8.0-164.4-106.9 120.7 45.1 43.4 21.3 109 126 A I E -f 32 0B 13 -78,-3.5 -76,-2.4 -2,-0.5 2,-0.4 -0.960 13.9-146.9-106.6 117.8 43.3 46.7 21.1 110 127 A R E +f 33 0B 162 -2,-0.6 2,-0.3 -78,-0.2 -76,-0.2 -0.709 52.8 51.4 -89.7 129.3 44.0 48.2 17.7 111 128 A G S S- 0 0 18 -78,-2.8 2,-0.6 -2,-0.4 -76,-0.1 -0.830 88.9 -51.4 141.2-176.6 44.1 52.0 17.5 112 129 A H - 0 0 100 -2,-0.3 14,-0.5 -78,-0.1 2,-0.2 -0.852 50.6-147.7-102.6 119.5 45.6 55.2 19.0 113 130 A A + 0 0 5 -2,-0.6 2,-0.3 12,-0.1 12,-0.2 -0.603 19.7 172.1 -87.9 152.1 45.4 55.5 22.8 114 131 A A E -B 124 0A 21 10,-0.9 10,-2.4 -2,-0.2 168,-0.2 -0.982 33.5-108.5-152.0 144.7 45.0 58.8 24.7 115 132 A F E -B 123 0A 4 166,-3.1 8,-0.3 -2,-0.3 2,-0.2 -0.442 35.7-130.0 -72.4 155.4 44.4 59.4 28.4 116 133 A T - 0 0 10 6,-3.6 6,-0.3 -2,-0.1 -1,-0.1 -0.569 20.0-113.9-105.5 173.2 41.1 60.8 29.4 117 134 A S S S+ 0 0 91 -2,-0.2 -1,-0.1 4,-0.1 6,-0.1 0.688 79.0 123.0 -68.5 -23.0 39.9 63.6 31.6 118 135 A D - 0 0 50 4,-0.1 4,-0.3 1,-0.1 -2,-0.1 -0.044 68.0-127.9 -51.5 146.4 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 0.973 97.5 56.5 -58.4 -72.3 39.7 60.8 37.5 120 137 A K S S- 0 0 127 1,-0.1 -2,-0.0 11,-0.0 0, 0.0 -0.518 117.1 -90.1 -66.3 130.3 40.8 57.2 37.7 121 138 A P + 0 0 30 0, 0.0 11,-0.7 0, 0.0 2,-0.3 -0.242 64.3 166.6 -50.5 121.6 43.3 56.9 35.0 122 139 A T E - C 0 131A 2 -4,-0.3 -6,-3.6 -6,-0.3 2,-0.3 -0.984 22.1-151.9-142.5 142.3 41.4 55.9 31.9 123 140 A I E -BC 115 130A 0 7,-2.1 7,-2.3 -2,-0.3 2,-0.4 -0.795 6.0-145.6-114.2 159.2 42.3 55.7 28.2 124 141 A E E +BC 114 129A 83 -10,-2.4 -10,-0.9 -2,-0.3 2,-0.4 -0.990 14.5 178.9-124.7 129.9 40.1 56.0 25.1 125 142 A V E > S- C 0 128A 2 3,-2.6 3,-1.4 -2,-0.4 -12,-0.1 -0.949 76.6 -19.4-135.0 112.0 40.8 54.2 21.8 126 143 A S T 3 S- 0 0 106 -14,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.912 127.4 -50.1 61.5 44.8 38.4 54.7 19.0 127 144 A G T 3 S+ 0 0 55 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.202 115.8 109.4 83.4 -23.3 35.6 56.1 21.2 128 145 A K E < - 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0 0 43 -3,-0.8 29,-2.1 -4,-0.5 -3,-0.2 0.971 27.3-163.1 60.8 56.0 91.8 45.8 39.1 412 429 A K E < -UT 439 407G 95 -5,-2.3 -5,-1.7 27,-0.2 2,-0.8 -0.458 23.2-116.6 -65.3 138.0 88.1 45.4 38.9 413 430 A V E + T 0 406G 2 25,-2.9 -7,-0.2 -7,-0.2 24,-0.1 -0.637 47.6 159.3 -81.7 108.6 87.0 45.3 35.3 414 431 A V E + 0 0 8 -9,-2.6 -49,-2.7 -2,-0.8 2,-0.3 0.560 61.8 23.7-108.3 -7.3 84.8 48.4 34.9 415 432 A G E -RT 364 405G 0 -10,-1.3 -10,-2.8 -51,-0.3 2,-0.4 -0.964 51.5-173.3-158.2 139.5 84.8 48.9 31.1 416 433 A I E +RT 363 404G 0 -53,-2.1 -53,-2.3 -2,-0.3 2,-0.4 -0.995 14.3 175.0-132.2 128.6 85.5 46.8 28.0 417 434 A H E +RT 362 403G 0 -14,-2.2 -14,-2.6 -2,-0.4 2,-0.3 -0.999 8.6 154.9-137.7 131.7 85.7 48.6 24.6 418 435 A M E -RT 361 402G 0 -57,-2.0 -57,-2.2 -2,-0.4 2,-0.3 -0.995 24.8-165.5-156.2 157.8 86.6 47.0 21.3 419 436 A Q E +RT 360 401G 0 -18,-2.2 -18,-2.2 -2,-0.3 2,-0.3 -0.987 42.7 93.3-143.9 133.9 86.2 47.2 17.6 420 437 A G S > S- 0 0 0 -61,-2.2 3,-2.1 -2,-0.3 4,-0.3 -0.861 74.8 -46.1 159.1 163.9 87.0 44.5 15.2 421 438 A L T 3 S+ 0 0 35 1,-0.3 32,-0.1 -2,-0.3 -31,-0.1 -0.390 123.8 13.1 -55.8 129.9 85.9 41.4 13.2 422 439 A G T >> S+ 0 0 38 -2,-0.1 4,-1.0 31,-0.1 3,-0.8 0.352 87.3 119.8 86.6 -8.2 83.8 39.2 15.4 423 440 A C H <> + 0 0 0 -3,-2.1 4,-1.0 1,-0.2 -2,-0.1 0.709 65.0 67.6 -65.5 -19.8 83.3 41.7 18.2 424 441 A D H 34 S+ 0 0 33 -4,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.896 111.9 31.3 -64.1 -36.0 79.5 41.6 17.7 425 442 A E H <4 S+ 0 0 151 -3,-0.8 4,-0.3 1,-0.1 -2,-0.2 0.546 113.0 65.3 -97.1 -9.4 79.3 38.0 19.0 426 443 A M H X S+ 0 0 25 -4,-1.0 4,-0.7 1,-0.2 3,-0.3 0.767 87.6 67.1 -85.0 -29.0 82.2 38.3 21.4 427 444 A L H X S+ 0 0 3 -4,-1.0 4,-2.3 1,-0.2 3,-0.3 0.822 79.4 74.7 -66.0 -42.5 80.8 40.8 23.8 428 445 A Q H > S+ 0 0 134 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.888 99.2 41.3 -45.5 -51.6 77.9 38.9 25.5 429 446 A G H > S+ 0 0 51 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.2 0.883 113.1 53.1 -72.3 -32.8 79.9 36.6 27.8 430 447 A F H X S+ 0 0 36 -4,-0.7 4,-2.9 -3,-0.3 -1,-0.2 0.892 105.2 57.1 -66.3 -29.0 82.4 39.3 28.8 431 448 A A H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.844 105.1 51.2 -65.4 -35.2 79.3 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 0.941 111.1 47.9 -64.5 -46.7 78.3 38.6 32.0 433 450 A A H <>S+ 0 0 26 -4,-2.0 5,-1.9 2,-0.2 4,-0.3 0.892 112.2 48.7 -61.1 -42.7 81.7 38.6 33.6 434 451 A V H ><5S+ 0 0 5 -4,-2.9 3,-1.8 1,-0.2 -1,-0.2 0.949 109.0 52.7 -66.5 -44.2 81.7 42.4 34.0 435 452 A K H 3<5S+ 0 0 111 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.867 107.0 54.1 -56.8 -36.4 78.2 42.3 35.6 436 453 A M T 3<5S- 0 0 158 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.467 121.1-108.5 -77.7 -7.8 79.5 39.7 38.1 437 454 A G T < 5 - 0 0 31 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.865 49.2-175.9 83.6 42.6 82.3 42.0 39.1 438 455 A A < - 0 0 9 -5,-1.9 -25,-2.9 -25,-0.1 2,-0.2 -0.255 11.5-148.1 -69.8 153.9 85.2 40.2 37.6 439 456 A T B >> -U 412 0G 35 -27,-0.3 4,-1.3 -33,-0.1 3,-0.6 -0.686 34.5 -96.8-108.7 176.6 88.7 41.5 38.1 440 457 A K H 3> S+ 0 0 6 -29,-2.1 4,-3.2 -30,-0.4 5,-0.2 0.855 123.0 60.6 -65.8 -31.7 91.6 41.3 35.8 441 458 A A H 3> S+ 0 0 48 -31,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.878 100.2 56.0 -63.6 -34.1 92.9 38.1 37.5 442 459 A D H <4 S+ 0 0 84 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.919 112.0 42.1 -64.0 -42.4 89.6 36.4 36.7 443 460 A F H >< S+ 0 0 6 -4,-1.3 3,-2.0 1,-0.2 -2,-0.2 0.942 114.9 50.4 -64.6 -52.9 90.2 37.2 33.0 444 461 A D H 3< S+ 0 0 69 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.777 106.4 56.2 -59.2 -28.9 93.9 36.3 33.2 445 462 A N T 3< S+ 0 0 132 -4,-2.3 2,-0.5 -5,-0.2 -1,-0.3 0.340 86.4 94.6 -86.4 6.1 93.0 33.0 34.9 446 463 A T S < S- 0 0 81 -3,-2.0 2,-0.1 12,-0.2 -4,-0.0 -0.883 83.4-119.1 -99.0 124.0 90.7 31.9 32.1 447 464 A V - 0 0 132 -2,-0.5 -2,-0.1 1,-0.1 2,-0.0 -0.443 33.9-115.3 -64.4 135.4 92.6 29.7 29.5 448 465 A A - 0 0 36 -4,-0.1 2,-0.5 -2,-0.1 -1,-0.1 -0.277 12.5-129.3 -71.8 156.7 92.6 31.3 26.1 449 466 A I - 0 0 114 -2,-0.0 3,-0.4 3,-0.0 6,-0.4 -0.979 39.7-121.9-107.9 114.9 90.8 29.9 22.9 450 467 A H S S+ 0 0 147 -2,-0.5 3,-0.1 1,-0.3 4,-0.0 -0.897 81.1 17.6-117.6 139.5 93.3 29.7 20.1 451 468 A P S S+ 0 0 79 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.404 97.4 105.5 -98.0 125.5 93.4 30.9 17.4 452 469 A T - 0 0 55 -3,-0.4 4,-0.1 1,-0.1 -63,-0.0 -0.889 68.9-122.8-143.8 172.5 90.7 33.6 17.9 453 470 A S S > S+ 0 0 24 -2,-0.3 3,-2.2 1,-0.1 4,-0.3 0.830 108.0 66.6 -81.7 -39.1 90.5 37.4 18.4 454 471 A S G > S+ 0 0 33 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.720 85.1 70.6 -54.6 -31.0 88.6 36.9 21.7 455 472 A E G > S+ 0 0 23 -6,-0.4 3,-1.1 1,-0.2 4,-0.3 0.727 83.1 72.4 -63.2 -20.7 91.7 35.4 23.3 456 473 A E G X S+ 0 0 56 -3,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.826 90.1 59.0 -63.9 -30.2 93.4 38.8 23.2 457 474 A L G < S+ 0 0 0 -3,-1.3 3,-0.3 -4,-0.3 -1,-0.3 0.661 106.5 46.3 -74.0 -19.6 91.1 40.0 26.0 458 475 A V G < S+ 0 0 16 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.360 113.4 49.6-101.2 2.2 92.3 37.2 28.4 459 476 A T S < S+ 0 0 75 -3,-1.0 2,-0.2 -4,-0.3 -1,-0.2 -0.067 74.4 138.4-128.0 30.0 96.0 37.8 27.6 460 477 A L 0 0 5 -3,-0.3 -76,-0.1 1,-0.2 -3,-0.0 -0.564 360.0 360.0 -77.7 140.6 96.4 41.6 28.0 461 478 A R 0 0 274 -78,-0.2 -1,-0.2 -2,-0.2 -77,-0.1 0.464 360.0 360.0-140.9 360.0 99.5 42.8 29.8