==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-JUL-10 3O0H . COMPND 2 MOLECULE: GLUTATHIONE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BARTONELLA HENSELAE; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 914 5 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 648 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 79 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 63 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 236 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.9 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 2 0 6 2 0 0 0 0 4 2 2 0 2 0 0 0 2 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 5 5 4 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 . 7 3 6 6 3 3 0 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 . 3 2 2 2 2 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 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 3 A S 0 0 153 0, 0.0 2,-0.3 0, 0.0 130,-0.0 0.000 360.0 360.0 360.0 -57.7 -2.9 35.7 -28.8 2 4 A F - 0 0 56 1,-0.1 130,-0.1 128,-0.0 3,-0.0 -0.818 360.0-122.1-108.3 157.1 -0.1 34.5 -26.5 3 5 A D S S+ 0 0 79 -2,-0.3 2,-0.3 1,-0.1 129,-0.2 0.883 95.4 16.2 -61.2 -40.7 0.5 31.0 -25.1 4 6 A F E -a 132 0A 25 127,-1.4 129,-2.3 1,-0.1 130,-0.2 -0.958 58.8-139.8-133.5 153.0 0.3 32.2 -21.5 5 7 A D E S+ 0 0 29 23,-2.0 129,-1.4 -2,-0.3 2,-0.3 0.842 99.6 15.1 -70.0 -39.4 -0.9 35.3 -19.6 6 8 A L E -ab 134 29A 0 22,-1.9 24,-2.2 127,-0.2 2,-0.5 -0.994 60.8-168.3-141.7 133.3 2.3 34.9 -17.4 7 9 A F E -ab 135 30A 0 127,-1.8 129,-2.5 -2,-0.3 2,-0.5 -0.991 14.2-158.8-119.7 122.0 5.5 33.0 -17.8 8 10 A V E -ab 136 31A 0 22,-2.7 24,-2.4 -2,-0.5 2,-0.8 -0.876 5.1-152.0-103.5 124.9 7.7 32.9 -14.6 9 11 A I E +ab 137 32A 8 127,-2.9 129,-2.4 -2,-0.5 24,-0.1 -0.879 69.8 23.8 -99.9 108.8 11.4 32.1 -15.0 10 12 A G - 0 0 11 22,-2.7 23,-0.2 -2,-0.8 129,-0.1 0.255 63.1-138.7 105.8 129.3 12.7 30.4 -11.8 11 13 A S + 0 0 0 4,-0.2 27,-2.4 25,-0.1 -1,-0.1 -0.208 61.2 114.3-114.6 41.7 10.8 28.5 -9.2 12 14 A G S > S- 0 0 12 126,-0.6 4,-2.8 25,-0.1 5,-0.5 -0.087 88.5 -57.5 -88.2-161.6 12.4 29.7 -6.0 13 15 A S H > S+ 0 0 22 25,-0.3 4,-1.1 1,-0.2 5,-0.1 0.866 136.2 33.9 -49.4 -49.0 10.8 31.8 -3.2 14 16 A G H > S+ 0 0 6 2,-0.2 4,-2.5 3,-0.1 -1,-0.2 0.957 120.8 44.9 -70.9 -56.1 9.7 34.7 -5.4 15 17 A G H > S+ 0 0 1 123,-0.4 4,-2.6 1,-0.2 5,-0.2 0.907 112.9 50.8 -61.2 -44.3 8.9 32.9 -8.6 16 18 A V H X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.917 112.0 47.1 -63.8 -39.7 6.9 30.1 -6.9 17 19 A R H X S+ 0 0 78 -4,-1.1 4,-2.3 -5,-0.5 5,-0.2 0.927 113.6 47.7 -67.0 -44.0 4.8 32.5 -4.9 18 20 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.936 112.9 48.4 -60.0 -49.5 4.1 34.7 -7.9 19 21 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.945 112.4 47.8 -58.6 -46.7 3.1 31.8 -10.1 20 22 A R H X S+ 0 0 87 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.904 113.9 47.2 -65.1 -40.4 0.8 30.2 -7.5 21 23 A L H X S+ 0 0 64 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.940 113.9 46.0 -64.6 -49.3 -0.9 33.5 -6.8 22 24 A A H <>S+ 0 0 0 -4,-2.8 5,-1.7 -5,-0.2 3,-0.4 0.916 112.9 50.6 -61.9 -43.0 -1.4 34.3 -10.5 23 25 A G H ><5S+ 0 0 10 -4,-2.9 3,-1.7 1,-0.2 -1,-0.2 0.904 106.3 55.4 -60.4 -43.0 -2.7 30.7 -11.2 24 26 A A H 3<5S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.794 100.5 60.7 -60.7 -28.5 -5.1 31.0 -8.3 25 27 A L T 3<5S- 0 0 81 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.521 123.8-103.0 -76.5 -3.4 -6.5 34.2 -9.9 26 28 A G T < 5S+ 0 0 67 -3,-1.7 -3,-0.2 1,-0.3 2,-0.1 0.517 74.8 141.5 95.3 6.8 -7.5 32.2 -13.0 27 29 A K < - 0 0 65 -5,-1.7 2,-0.9 1,-0.1 -1,-0.3 -0.465 61.4-110.9 -80.1 154.2 -4.6 33.3 -15.2 28 30 A R + 0 0 120 -2,-0.1 -23,-2.0 78,-0.1 -22,-1.9 -0.795 51.5 177.8 -86.9 109.8 -2.9 31.0 -17.6 29 31 A V E -b 6 0A 1 -2,-0.9 78,-2.6 76,-0.4 2,-0.3 -0.907 18.8-174.6-124.2 139.0 0.5 30.7 -16.0 30 32 A A E -bc 7 107A 0 -24,-2.2 -22,-2.7 -2,-0.4 2,-0.3 -0.945 6.2-162.2-124.3 155.2 3.7 28.7 -16.8 31 33 A I E -bc 8 108A 0 76,-2.6 78,-2.9 -2,-0.3 2,-0.4 -0.994 4.9-153.8-138.1 140.5 6.9 28.4 -14.8 32 34 A A E +bc 9 109A 2 -24,-2.4 -22,-2.7 -2,-0.3 2,-0.4 -0.948 12.6 179.0-115.2 129.3 10.3 27.2 -15.9 33 35 A E E - c 0 110A 20 76,-2.3 78,-0.6 -2,-0.4 4,-0.1 -0.976 12.8-171.0-132.2 122.4 12.8 25.6 -13.5 34 36 A E S S+ 0 0 92 -2,-0.4 78,-0.2 76,-0.2 -1,-0.1 0.691 82.0 12.8 -83.7 -21.1 16.2 24.4 -14.7 35 37 A Y S S- 0 0 115 76,-0.2 2,-0.4 1,-0.1 -2,-0.1 0.418 120.4 -16.9-121.9-100.7 17.2 22.7 -11.5 36 38 A R > - 0 0 52 74,-0.0 3,-1.9 0, 0.0 7,-0.2 -0.939 61.8-110.8-125.8 134.4 14.8 21.9 -8.6 37 39 A I T 3 S+ 0 0 6 -2,-0.4 61,-0.2 1,-0.2 60,-0.2 -0.326 102.5 40.3 -57.5 132.0 11.4 23.3 -7.7 38 40 A G T 3> S- 0 0 1 -27,-2.4 4,-0.8 59,-0.1 3,-0.3 -0.009 98.9-138.0 110.7 -23.9 11.5 25.4 -4.6 39 41 A G H <> - 0 0 11 -3,-1.9 4,-2.6 -27,-0.2 5,-0.4 -0.152 45.7 -26.7 73.2-162.4 14.8 27.2 -5.4 40 42 A T H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.870 129.5 50.6 -67.1 -41.5 17.9 28.1 -3.4 41 43 A a H > S+ 0 0 6 -3,-0.3 6,-2.4 4,-0.2 4,-0.9 0.944 118.6 37.7 -64.6 -44.9 16.3 28.5 0.1 42 44 A V H < S+ 0 0 4 -4,-0.8 -2,-0.2 5,-0.2 -1,-0.2 0.920 127.6 31.6 -70.6 -42.6 14.6 25.1 -0.0 43 45 A I H < S- 0 0 6 -4,-2.6 -3,-0.2 -7,-0.2 -2,-0.2 0.857 140.9 -5.1 -93.4 -39.6 17.2 23.1 -1.8 44 46 A R H < S+ 0 0 69 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.1 -0.101 120.0 51.1-154.9 40.9 20.6 24.6 -0.8 45 47 A G S X S- 0 0 17 -4,-0.9 4,-2.5 -6,-0.2 5,-0.3 -0.196 106.5 -1.5-146.3-127.1 20.1 27.6 1.3 46 48 A a H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.834 125.0 52.2 -51.1 -45.3 18.1 28.6 4.4 47 49 A V H > S+ 0 0 7 -6,-2.4 4,-2.3 2,-0.2 3,-0.2 0.991 116.3 33.7 -62.5 -62.2 16.5 25.2 4.9 48 50 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.831 116.0 58.3 -66.4 -28.0 19.5 22.9 4.9 49 51 A K H X S+ 0 0 17 -4,-2.5 4,-2.5 -8,-0.2 -2,-0.2 0.928 108.1 46.7 -59.1 -44.0 21.7 25.5 6.5 50 52 A K H X S+ 0 0 5 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.898 110.4 52.7 -70.5 -37.1 19.2 25.6 9.4 51 53 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.920 111.9 45.3 -59.6 -41.5 19.1 21.8 9.6 52 54 A Y H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.853 109.7 55.5 -74.5 -35.0 22.9 21.7 9.8 53 55 A F H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.944 109.4 46.8 -55.7 -49.6 22.9 24.5 12.4 54 56 A Y H X S+ 0 0 21 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.899 110.1 53.7 -64.1 -40.5 20.6 22.4 14.6 55 57 A A H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 4,-0.5 0.924 110.4 46.6 -58.2 -45.8 22.8 19.3 14.1 56 58 A S H >< S+ 0 0 1 -4,-2.4 3,-0.9 1,-0.2 4,-0.4 0.852 105.4 61.7 -65.5 -33.8 25.8 21.2 15.2 57 59 A Q H >X S+ 0 0 48 -4,-2.1 3,-1.2 1,-0.2 4,-1.1 0.773 85.9 71.7 -65.5 -31.4 24.0 22.6 18.2 58 60 A Y H S+ 0 0 23 -3,-0.9 4,-1.6 -4,-0.5 -1,-0.2 0.881 101.6 44.8 -54.0 -40.0 27.0 19.0 20.8 60 62 A Q H <> S+ 0 0 78 -3,-1.2 4,-2.7 -4,-0.4 -1,-0.2 0.810 106.3 60.5 -79.3 -26.9 26.6 21.8 23.3 61 63 A E H X S+ 0 0 23 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.918 104.1 50.4 -63.3 -43.1 23.4 20.3 24.6 62 64 A F H X S+ 0 0 9 -4,-2.1 4,-0.7 1,-0.2 3,-0.2 0.953 114.0 43.9 -60.8 -45.0 25.3 17.2 25.6 63 65 A S H >< S+ 0 0 56 -4,-1.6 3,-0.7 1,-0.2 4,-0.5 0.892 111.8 52.4 -72.9 -33.5 28.0 19.2 27.4 64 66 A K H >< S+ 0 0 8 -4,-2.7 3,-0.6 1,-0.2 4,-0.5 0.832 99.4 65.6 -68.3 -27.7 25.5 21.5 29.1 65 67 A S H ><>S+ 0 0 2 -4,-1.8 5,-1.7 1,-0.2 3,-1.1 0.796 86.3 71.7 -65.2 -27.9 23.5 18.6 30.5 66 68 A I G X<5S+ 0 0 48 -3,-0.7 3,-1.7 -4,-0.7 -1,-0.2 0.905 93.3 52.9 -57.3 -46.3 26.4 17.4 32.7 67 69 A G G < 5S+ 0 0 16 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.695 104.1 58.1 -62.7 -21.5 26.1 20.4 35.2 68 70 A F G < 5S- 0 0 0 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.414 130.4 -88.8 -92.9 4.7 22.4 19.5 35.7 69 71 A G T < 5S+ 0 0 1 -3,-1.7 467,-1.8 1,-0.3 2,-0.4 0.420 83.1 133.3 105.2 3.6 23.2 16.0 36.8 70 72 A W B < -F 535 0B 12 -5,-1.7 -1,-0.3 465,-0.2 465,-0.2 -0.680 54.4-123.0 -84.0 134.2 23.2 14.0 33.6 71 73 A K - 0 0 99 463,-3.1 463,-0.2 -2,-0.4 2,-0.1 -0.324 41.0 -83.9 -69.3 155.2 26.1 11.6 33.1 72 74 A Y - 0 0 148 1,-0.1 -1,-0.1 461,-0.1 -9,-0.1 -0.437 41.1-161.4 -59.8 131.4 28.3 11.9 30.0 73 75 A A - 0 0 6 -2,-0.1 458,-3.2 -3,-0.1 -1,-0.1 0.146 30.4-119.9-108.4 16.7 26.5 10.1 27.3 74 76 A D - 0 0 98 456,-0.2 2,-0.1 1,-0.2 455,-0.1 0.916 37.3-157.8 43.9 58.1 29.4 9.5 24.8 75 77 A P - 0 0 22 0, 0.0 2,-0.4 0, 0.0 455,-0.2 -0.458 12.7-173.6 -72.7 137.7 27.7 11.4 22.0 76 78 A I E -G 529 0C 93 453,-2.8 453,-2.1 -2,-0.1 2,-0.3 -0.999 11.0-148.0-133.9 131.7 28.9 10.6 18.5 77 79 A F E -G 528 0C 31 -2,-0.4 2,-0.5 451,-0.2 451,-0.2 -0.744 3.4-160.1-102.9 144.2 27.8 12.4 15.3 78 80 A N >> - 0 0 88 449,-1.9 4,-1.3 -2,-0.3 3,-0.7 -0.928 2.9-164.5-128.2 105.3 27.6 10.7 11.9 79 81 A W H 3> S+ 0 0 13 -2,-0.5 4,-2.6 1,-0.2 3,-0.4 0.890 87.2 60.6 -57.2 -44.9 27.7 13.1 8.9 80 82 A E H 3> S+ 0 0 62 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.848 104.3 51.0 -54.2 -37.8 26.3 10.5 6.4 81 83 A K H <> S+ 0 0 42 -3,-0.7 4,-2.2 2,-0.2 -1,-0.3 0.873 109.2 50.6 -69.5 -39.2 23.1 10.2 8.4 82 84 A L H X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.4 -2,-0.2 0.930 109.8 50.0 -59.7 -49.4 22.6 14.0 8.5 83 85 A V H X S+ 0 0 20 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.921 111.6 47.8 -58.6 -43.7 23.1 14.2 4.7 84 86 A A H X S+ 0 0 60 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.908 112.0 50.4 -64.2 -40.4 20.5 11.5 4.1 85 87 A A H X S+ 0 0 20 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.890 111.8 48.2 -64.5 -38.6 18.1 13.2 6.6 86 88 A K H X S+ 0 0 4 -4,-2.7 4,-3.3 2,-0.2 5,-0.3 0.930 109.1 52.4 -66.6 -44.9 18.6 16.5 4.7 87 89 A N H X S+ 0 0 63 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.899 109.3 50.5 -62.7 -36.7 18.0 14.9 1.3 88 90 A K H X S+ 0 0 170 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.927 113.9 43.6 -65.5 -45.9 14.8 13.4 2.5 89 91 A E H X S+ 0 0 15 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.906 112.5 50.1 -71.4 -44.5 13.4 16.7 3.8 90 92 A I H X S+ 0 0 2 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.908 111.6 50.1 -62.8 -35.9 14.5 18.8 0.9 91 93 A S H X S+ 0 0 57 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.882 109.4 52.4 -63.2 -39.9 12.8 16.3 -1.4 92 94 A R H X S+ 0 0 129 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.921 112.4 44.2 -58.5 -45.6 9.6 16.5 0.8 93 95 A L H X S+ 0 0 27 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.914 108.8 57.3 -72.3 -42.5 9.5 20.3 0.5 94 96 A E H X S+ 0 0 45 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.907 107.4 48.7 -49.6 -47.1 10.3 20.2 -3.2 95 97 A G H X S+ 0 0 13 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.836 108.1 53.2 -67.1 -33.9 7.2 18.0 -3.8 96 98 A L H X S+ 0 0 82 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.913 110.0 47.9 -69.7 -38.3 5.0 20.3 -1.7 97 99 A Y H X S+ 0 0 69 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.907 112.2 50.1 -66.6 -39.3 6.0 23.3 -3.8 98 100 A R H X S+ 0 0 93 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.950 110.6 49.6 -59.9 -48.7 5.4 21.2 -6.9 99 101 A E H X S+ 0 0 92 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.889 108.2 54.1 -56.2 -44.8 1.9 20.3 -5.5 100 102 A G H X S+ 0 0 2 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.936 109.0 48.1 -53.9 -49.4 1.2 24.0 -4.8 101 103 A L H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 3,-0.4 0.938 113.4 47.0 -58.0 -46.2 2.0 24.9 -8.4 102 104 A Q H ><5S+ 0 0 98 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.893 107.9 56.2 -65.1 -39.3 -0.2 22.0 -9.7 103 105 A N H 3<5S+ 0 0 137 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.823 109.1 46.8 -60.4 -33.5 -3.0 23.1 -7.4 104 106 A S T 3<5S- 0 0 20 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.334 118.0-116.4 -88.6 7.4 -2.9 26.6 -8.9 105 107 A N T < 5 + 0 0 142 -3,-1.7 2,-0.5 1,-0.2 -76,-0.4 0.801 55.5 164.4 53.6 40.6 -2.9 25.0 -12.4 106 108 A V < - 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0 0 108 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.794 41.6-176.2 57.1 36.3 6.9 52.5 16.2 421 426 A L < - 0 0 13 -5,-2.3 -25,-2.1 -26,-0.1 -1,-0.2 -0.319 19.7-122.7 -67.1 142.5 6.4 51.7 19.8 422 427 A T B >> -Y 395 0J 36 -27,-0.2 4,-1.6 1,-0.1 3,-0.7 -0.449 19.6-112.6 -80.8 159.2 8.2 54.0 22.3 423 428 A K H 3> S+ 0 0 0 -29,-2.9 4,-2.6 1,-0.2 5,-0.2 0.826 117.7 63.0 -54.5 -33.7 10.7 52.9 24.9 424 429 A D H 3> S+ 0 0 77 -30,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.880 101.3 51.6 -63.8 -33.5 8.0 53.9 27.6 425 430 A I H <> S+ 0 0 49 -3,-0.7 4,-0.9 2,-0.2 -2,-0.2 0.943 108.7 49.8 -69.1 -44.3 5.7 51.2 26.1 426 431 A F H >< S+ 0 0 0 -4,-1.6 3,-1.1 1,-0.2 -2,-0.2 0.944 113.2 48.4 -52.6 -49.7 8.5 48.6 26.4 427 432 A D H 3< S+ 0 0 26 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.794 107.9 52.4 -65.7 -31.3 9.0 49.8 30.1 428 433 A K H 3< S+ 0 0 49 -4,-1.8 2,-0.5 -3,-0.2 -1,-0.3 0.603 86.7 102.2 -81.1 -12.5 5.3 49.6 31.0 429 434 A T S << S- 0 0 1 -3,-1.1 2,-0.1 -4,-0.9 447,-0.1 -0.625 81.0-119.5 -73.5 122.2 5.2 46.0 29.7 430 435 A M - 0 0 17 -2,-0.5 367,-0.4 365,-0.3 2,-0.1 -0.394 28.2-115.0 -65.1 136.9 5.3 43.7 32.7 431 436 A A - 0 0 9 10,-0.1 2,-0.5 339,-0.1 -1,-0.1 -0.359 15.2-139.0 -65.1 148.4 8.2 41.3 32.8 432 437 A V - 0 0 5 -2,-0.1 3,-0.4 366,-0.1 6,-0.4 -0.959 35.2-118.1-107.4 124.7 7.7 37.5 32.6 433 438 A H S S+ 0 0 60 -2,-0.5 366,-0.2 1,-0.3 336,-0.1 -0.921 84.6 19.6-124.9 140.6 10.0 35.7 35.0 434 439 A P S S+ 0 0 9 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.449 95.9 113.5 -87.9 124.7 12.3 33.8 34.7 435 440 A T - 0 0 13 -3,-0.4 4,-0.1 1,-0.1 -4,-0.0 -0.907 64.7-129.8-137.5 166.6 13.0 34.6 31.0 436 441 A M S > S+ 0 0 19 -2,-0.3 3,-1.7 2,-0.1 4,-0.2 0.846 106.7 61.1 -76.5 -38.2 15.8 36.1 29.0 437 442 A S G > S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.686 83.2 76.7 -70.3 -20.2 13.4 38.4 27.2 438 443 A E G > S+ 0 0 21 -6,-0.4 3,-1.6 1,-0.3 4,-0.4 0.760 79.3 74.3 -63.1 -21.4 12.3 40.2 30.4 439 444 A E G X S+ 0 0 59 -3,-1.7 3,-0.9 1,-0.3 4,-0.3 0.853 88.8 61.6 -57.5 -27.6 15.6 42.1 30.3 440 445 A L G < S+ 0 0 1 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.614 105.2 45.0 -74.6 -15.5 14.1 44.1 27.4 441 446 A V G < S+ 0 0 0 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.321 110.5 50.9-112.0 8.6 11.3 45.5 29.6 442 447 A T < + 0 0 53 -3,-0.9 2,-1.7 -4,-0.4 3,-0.2 0.207 68.8 110.6-130.8 15.8 13.2 46.5 32.7 443 448 A M + 0 0 21 -4,-0.3 -16,-0.1 1,-0.2 4,-0.1 -0.477 36.1 157.8 -90.1 71.2 16.1 48.6 31.3 444 449 A Y + 0 0 104 -2,-1.7 -1,-0.2 -17,-0.1 -17,-0.1 0.833 55.3 53.3 -68.6 -38.7 14.7 51.8 32.8 445 450 A K S S- 0 0 77 -3,-0.2 -3,-0.0 1,-0.0 3,-0.0 -0.837 91.2-113.4-101.2 136.3 17.9 53.8 32.9 446 451 A P - 0 0 50 0, 0.0 -81,-0.2 0, 0.0 3,-0.1 -0.294 9.9-138.6 -62.1 147.7 20.1 54.3 29.8 447 452 A S S S- 0 0 61 -83,-2.7 2,-0.3 1,-0.3 -82,-0.2 0.896 82.8 -30.3 -67.0 -44.0 23.5 52.6 29.7 448 453 A Y E -U 364 0I 46 -84,-1.4 -84,-2.7 2,-0.0 2,-0.4 -0.966 63.1-130.9-164.6 175.0 24.7 55.8 28.1 449 454 A V E -U 363 0I 17 7,-0.4 7,-3.4 -2,-0.3 2,-0.4 -0.999 3.8-145.4-142.9 137.4 23.6 58.6 25.8 450 455 A Y E -UX 362 455I 27 -88,-2.6 -88,-2.0 -2,-0.4 2,-0.4 -0.871 14.7-170.7 -96.1 134.5 24.8 60.4 22.7 451 456 A E E > S-UX 361 454I 88 3,-2.4 3,-1.7 -2,-0.4 -90,-0.2 -0.996 76.3 -14.1-124.4 121.0 24.1 64.1 22.4 452 457 A N T 3 S- 0 0 119 -92,-3.4 -92,-0.1 -2,-0.4 -91,-0.1 0.864 131.6 -50.7 53.0 39.5 24.8 65.7 19.0 453 458 A G T 3 S+ 0 0 24 -94,-0.4 2,-0.4 -93,-0.3 -1,-0.3 0.372 117.8 100.9 86.4 -1.3 26.9 62.7 17.9 454 459 A E E < S-X 451 0I 138 -3,-1.7 -3,-2.4 -98,-0.1 2,-0.2 -0.927 74.4-114.0-118.0 142.8 29.1 62.4 21.0 455 460 A K E -X 450 0I 111 -2,-0.4 -5,-0.3 -5,-0.2 2,-0.2 -0.508 32.5-131.1 -73.3 135.4 28.9 60.1 24.0 456 461 A L 0 0 69 -7,-3.4 -7,-0.4 -2,-0.2 -1,-0.1 -0.595 360.0 360.0 -89.0 152.5 28.1 61.8 27.3 457 462 A D 0 0 218 -2,-0.2 -1,-0.1 -9,-0.1 -8,-0.1 -0.122 360.0 360.0 -79.9 360.0 30.0 61.1 30.5 458 !* 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 0.0 459 3 B S 0 0 161 0, 0.0 2,-0.2 0, 0.0 130,-0.1 0.000 360.0 360.0 360.0 132.8 12.2 59.8 67.2 460 4 B F - 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0 0 83 -5,-1.9 2,-0.7 1,-0.1 -1,-0.3 -0.481 60.0-113.3 -78.8 155.6 17.0 56.6 54.5 486 30 B R + 0 0 115 -2,-0.1 -23,-2.0 78,-0.1 -22,-1.7 -0.842 50.6 176.5 -87.6 113.2 17.7 54.6 57.7 487 31 B V E -a 464 0K 1 -2,-0.7 78,-2.3 76,-0.3 2,-0.3 -0.929 21.4-169.5-128.9 144.2 16.1 51.3 56.8 488 32 B A E -ab 465 565K 0 -24,-2.2 -22,-2.9 -2,-0.4 2,-0.4 -0.941 6.0-162.4-126.6 151.7 15.8 47.8 58.4 489 33 B I E -ab 466 566K 0 76,-2.4 78,-3.2 -2,-0.3 2,-0.5 -0.999 6.5-150.9-135.7 137.0 14.5 44.6 57.0 490 34 B A E +ab 467 567K 3 -24,-2.4 -22,-2.6 -2,-0.4 2,-0.4 -0.930 14.7 178.0-106.9 132.9 13.4 41.5 58.8 491 35 B E - 0 0 19 76,-2.3 79,-0.1 -2,-0.5 4,-0.1 -0.972 12.7-172.2-134.8 116.8 13.7 38.1 57.2 492 36 B E S S+ 0 0 103 -2,-0.4 78,-0.3 76,-0.2 -1,-0.1 0.639 81.6 13.2 -81.9 -18.2 12.7 35.0 59.1 493 37 B Y S S- 0 0 122 76,-0.2 2,-0.4 1,-0.1 -2,-0.1 0.439 120.0 -18.1-121.6 -99.2 14.0 32.5 56.6 494 38 B R > - 0 0 54 74,-0.0 3,-1.8 0, 0.0 7,-0.2 -0.967 62.0-108.9-129.5 137.7 16.3 33.3 53.8 495 39 B I T 3 S+ 0 0 5 -2,-0.4 61,-0.2 1,-0.2 60,-0.2 -0.313 102.6 41.1 -61.0 130.4 17.2 36.6 52.1 496 40 B G T 3> S- 0 0 1 -27,-2.1 4,-0.6 59,-0.1 3,-0.3 -0.049 98.9-133.6 118.2 -33.5 15.8 36.8 48.6 497 41 B G H <> - 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