==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE (CHOH(D) - NAD(P)) 06-MAR-01 1H9A . COMPND 2 MOLECULE: GLUCOSE 6-PHOSPHATE 1-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEUCONOSTOC MESENTEROIDES; . AUTHOR M.J.ADAMS,C.E.NAYLOR,S.GOVER . 485 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 42 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 1 3 0 3 2 3 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 3 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 PARALLEL BRIDGES PER LADDER . 1 0 0 1 1 2 0 1 1 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 . 0 0 0 0 1 0 0 1 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 1 A V 0 0 125 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.3 74.4 68.7 57.7 2 2 A S - 0 0 104 1,-0.1 2,-0.3 33,-0.0 0, 0.0 -0.464 360.0-111.5 -75.4 143.2 75.5 65.1 57.3 3 3 A E - 0 0 49 -2,-0.2 2,-0.6 32,-0.1 32,-0.2 -0.535 17.0-145.1 -79.7 134.8 78.9 64.2 55.7 4 4 A I - 0 0 18 30,-3.0 2,-0.8 -2,-0.3 32,-0.4 -0.853 10.2-157.3 -98.6 117.6 79.2 62.5 52.3 5 5 A K + 0 0 101 -2,-0.6 2,-0.3 418,-0.1 34,-0.2 -0.879 36.3 138.5 -98.0 110.2 82.2 60.1 52.2 6 6 A T E -a 39 0A 1 32,-0.9 34,-1.5 -2,-0.8 2,-0.5 -0.994 46.5-144.9-153.7 156.6 83.2 59.7 48.6 7 7 A L E -ab 40 112A 0 104,-2.4 106,-2.6 -2,-0.3 2,-0.5 -0.987 23.7-167.6-125.4 116.8 86.1 59.5 46.1 8 8 A V E -ab 41 113A 2 32,-2.3 34,-2.7 -2,-0.5 2,-0.5 -0.927 6.9-160.5-112.6 129.9 85.4 61.0 42.7 9 9 A T E -ab 42 114A 1 104,-2.9 106,-3.2 -2,-0.5 2,-0.8 -0.930 6.9-155.1-109.7 123.4 87.6 60.5 39.7 10 10 A F E > -ab 43 115A 1 32,-2.9 34,-2.0 -2,-0.5 3,-0.9 -0.858 2.3-161.5-102.6 101.3 87.3 63.0 36.8 11 11 A F E 3 S+ab 44 116A 1 104,-2.7 106,-2.0 -2,-0.8 34,-0.2 -0.692 88.2 30.2 -76.3 134.0 88.4 61.6 33.4 12 12 A G T > S+ 0 0 13 32,-1.6 3,-2.1 -2,-0.4 6,-0.4 0.798 79.3 163.0 81.8 33.1 89.0 64.7 31.3 13 13 A G T < S+ 0 0 0 31,-2.6 32,-0.2 -3,-0.9 -2,-0.1 0.621 70.5 49.5 -61.1 -17.8 90.0 66.6 34.4 14 14 A T T 3 S+ 0 0 29 30,-0.3 -1,-0.3 4,-0.1 31,-0.1 0.416 91.1 119.3-101.7 2.4 91.8 69.3 32.4 15 15 A G S <> S- 0 0 24 -3,-2.1 4,-2.1 102,-0.1 5,-0.2 -0.082 77.8-110.4 -67.4 165.3 88.8 69.8 30.1 16 16 A D H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.901 118.2 49.0 -61.0 -44.2 86.7 72.9 29.6 17 17 A L H >>S+ 0 0 32 2,-0.2 4,-2.6 1,-0.2 5,-2.2 0.882 108.0 55.1 -65.1 -40.1 83.7 71.4 31.3 18 18 A A H 4>S+ 0 0 0 -6,-0.4 5,-2.6 3,-0.2 -2,-0.2 0.959 116.2 35.4 -60.1 -51.3 85.7 70.3 34.3 19 19 A K H <5S+ 0 0 89 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.815 123.8 41.9 -77.1 -26.4 87.1 73.7 35.0 20 20 A R H <5S+ 0 0 153 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.853 136.9 1.6 -86.5 -35.9 84.0 75.8 34.1 21 21 A K T X5S+ 0 0 67 -4,-2.6 4,-1.4 -5,-0.3 -3,-0.2 0.762 121.8 54.1-121.0 -44.8 81.3 73.6 35.7 22 22 A L H > S+ 0 0 8 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.876 110.3 52.5 -64.9 -33.2 82.9 74.9 41.1 25 25 A S H X S+ 0 0 3 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.908 111.2 45.5 -65.7 -43.5 79.9 72.6 41.6 26 26 A V H X S+ 0 0 1 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.886 109.3 56.2 -67.0 -39.0 81.9 70.3 43.9 27 27 A F H >X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 3,-0.8 0.925 103.5 55.4 -58.9 -42.3 83.3 73.3 45.7 28 28 A N H 3X S+ 0 0 27 -4,-2.0 4,-1.9 1,-0.3 -1,-0.2 0.861 103.2 53.7 -57.9 -40.9 79.7 74.4 46.4 29 29 A L H 3<>S+ 0 0 0 -4,-1.3 5,-2.2 1,-0.2 6,-1.2 0.779 110.0 49.3 -65.2 -27.6 78.9 71.1 48.0 30 30 A Y H X<5S+ 0 0 43 -4,-1.1 3,-1.6 -3,-0.8 -2,-0.2 0.889 107.3 53.3 -77.5 -41.8 82.0 71.7 50.3 31 31 A K H 3<5S+ 0 0 66 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.857 107.7 52.2 -60.8 -35.0 80.8 75.2 51.2 32 32 A K T 3<5S- 0 0 83 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.459 119.3-113.2 -80.1 -3.8 77.5 73.8 52.2 33 33 A G T < 5S+ 0 0 24 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.588 85.6 117.1 84.1 9.6 79.2 71.3 54.5 34 34 A Y S - 0 0 80 -2,-0.3 4,-2.1 32,-0.1 5,-0.2 -0.548 39.2 -91.1-101.7 174.6 102.0 66.9 38.9 51 51 A D H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.876 124.8 52.5 -53.9 -39.7 99.8 67.3 41.9 52 52 A D H > S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.910 109.3 47.6 -63.4 -46.0 100.9 71.0 42.5 53 53 A E H > S+ 0 0 99 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.857 113.1 48.4 -65.6 -35.7 100.1 72.1 38.9 54 54 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.922 108.5 54.2 -70.1 -42.6 96.7 70.4 39.0 55 55 A K H X S+ 0 0 21 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.876 108.3 50.3 -57.0 -38.8 95.9 72.0 42.3 56 56 A Q H X S+ 0 0 82 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.838 107.2 53.8 -68.5 -33.9 96.7 75.4 40.7 57 57 A L H X S+ 0 0 35 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.951 112.6 43.7 -64.6 -46.9 94.4 74.5 37.8 58 58 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.913 110.4 56.4 -64.1 -41.5 91.6 73.8 40.3 59 59 A R H X S+ 0 0 71 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.917 109.6 44.8 -55.6 -48.1 92.5 77.0 42.3 60 60 A D H < S+ 0 0 98 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.771 110.5 56.6 -68.6 -26.8 92.1 79.2 39.2 61 61 A S H < S+ 0 0 17 -4,-1.4 3,-0.3 1,-0.2 -2,-0.2 0.878 113.9 36.7 -72.8 -39.5 88.8 77.4 38.4 62 62 A I H >< S+ 0 0 1 -4,-2.2 3,-2.3 1,-0.2 -1,-0.2 0.448 87.3 106.4 -94.8 3.0 87.2 78.1 41.8 63 63 A K G >< S+ 0 0 138 -4,-0.7 3,-1.4 1,-0.3 -1,-0.2 0.853 76.7 51.5 -46.8 -49.2 88.8 81.6 42.0 64 64 A D G 3 S+ 0 0 140 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.482 108.6 52.7 -71.9 -2.7 85.5 83.4 41.3 65 65 A F G < S+ 0 0 76 -3,-2.3 2,-0.4 2,-0.0 -1,-0.3 0.195 85.5 112.4-116.9 14.1 83.6 81.5 44.0 66 66 A T < + 0 0 49 -3,-1.4 3,-0.1 1,-0.2 -3,-0.0 -0.729 18.0 147.0 -95.1 135.1 86.1 82.2 46.8 67 67 A D S S+ 0 0 129 -2,-0.4 2,-0.7 1,-0.4 -1,-0.2 0.538 76.2 46.5-122.3 -57.1 85.2 84.4 49.8 68 68 A D > - 0 0 85 1,-0.2 4,-1.9 2,-0.0 -1,-0.4 -0.823 67.8-161.7 -95.8 113.5 87.3 82.7 52.5 69 69 A Q H > S+ 0 0 158 -2,-0.7 4,-2.2 1,-0.2 5,-0.2 0.882 93.5 54.1 -61.1 -41.2 90.9 82.0 51.2 70 70 A A H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.904 106.6 52.1 -61.1 -40.1 91.4 79.5 53.9 71 71 A Q H > S+ 0 0 46 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.917 108.5 50.1 -62.1 -47.0 88.2 77.6 52.9 72 72 A A H X S+ 0 0 6 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.922 112.1 47.5 -58.2 -46.6 89.4 77.5 49.2 73 73 A E H X S+ 0 0 82 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.833 107.2 54.7 -67.0 -35.6 92.8 76.1 50.2 74 74 A A H < S+ 0 0 44 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.877 112.8 45.5 -65.8 -35.1 91.4 73.4 52.6 75 75 A F H >< S+ 0 0 0 -4,-1.7 3,-2.6 -5,-0.2 -2,-0.2 0.966 108.9 53.8 -69.6 -53.1 89.3 72.2 49.7 76 76 A I H >< S+ 0 0 2 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.777 95.3 70.0 -53.7 -29.6 92.1 72.3 47.1 77 77 A E T 3< S+ 0 0 97 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.618 88.4 65.7 -66.4 -11.7 94.2 70.1 49.5 78 78 A H T < S+ 0 0 18 -3,-2.6 -37,-2.2 -4,-0.1 2,-0.3 0.431 86.4 94.7 -90.6 1.7 91.8 67.2 48.7 79 79 A F E < +c 41 0A 4 -3,-1.9 2,-0.3 -39,-0.2 -37,-0.2 -0.721 43.2 167.0-101.1 146.2 92.9 67.1 45.0 80 80 A S E -c 42 0A 21 -39,-1.9 -37,-2.8 -2,-0.3 2,-0.3 -0.938 15.3-151.8-146.4 162.2 95.5 64.9 43.3 81 81 A Y E -c 43 0A 2 -2,-0.3 2,-0.3 -39,-0.2 -37,-0.2 -0.960 10.4-172.5-141.4 158.0 96.2 64.1 39.6 82 82 A R E -c 44 0A 57 -39,-1.5 -37,-0.7 -2,-0.3 2,-0.2 -0.949 26.5-126.2-153.9 124.2 97.7 61.4 37.4 83 83 A A E +c 45 0A 36 -2,-0.3 2,-0.3 -34,-0.3 -37,-0.3 -0.524 44.3 159.9 -69.1 140.8 98.5 61.5 33.7 84 84 A H - 0 0 7 -39,-2.7 2,-0.6 -2,-0.2 -37,-0.1 -0.926 39.4-137.5-168.5 135.9 96.8 58.6 31.9 85 85 A D > - 0 0 59 -2,-0.3 3,-1.3 3,-0.2 6,-0.1 -0.884 15.5-149.6 -99.2 123.7 95.7 57.6 28.4 86 86 A V T 3 S+ 0 0 19 -2,-0.6 43,-0.1 1,-0.3 -1,-0.1 0.620 95.3 55.9 -67.7 -14.3 92.2 56.0 28.4 87 87 A T T 3 S+ 0 0 76 1,-0.1 2,-0.8 4,-0.0 -1,-0.3 0.569 89.7 84.8 -93.6 -8.4 93.0 53.7 25.4 88 88 A D <> - 0 0 79 -3,-1.3 4,-0.6 1,-0.2 3,-0.2 -0.813 59.5-167.6-100.2 101.7 96.1 52.2 27.1 89 89 A A T >4 S+ 0 0 28 -2,-0.8 3,-1.8 1,-0.2 4,-0.4 0.898 87.6 52.6 -51.3 -52.1 95.1 49.3 29.4 90 90 A A T >4 S+ 0 0 70 1,-0.3 3,-2.4 2,-0.2 4,-0.4 0.908 99.5 64.4 -53.4 -43.3 98.4 49.0 31.2 91 91 A S T >> S+ 0 0 20 1,-0.3 4,-1.1 -3,-0.2 3,-0.9 0.693 85.7 74.4 -55.8 -21.1 98.3 52.7 32.0 92 92 A Y H S+ 0 0 59 -3,-2.4 4,-1.9 -4,-0.4 -1,-0.2 0.838 99.2 52.0 -63.8 -33.7 97.5 50.5 36.8 94 94 A V H <> S+ 0 0 63 -3,-0.9 4,-1.6 -4,-0.4 -1,-0.2 0.865 111.3 44.8 -70.9 -39.9 98.9 53.9 37.3 95 95 A L H X S+ 0 0 0 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.881 109.3 56.9 -71.8 -38.3 95.5 55.5 37.9 96 96 A K H X S+ 0 0 69 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.939 106.9 50.4 -55.8 -47.1 94.5 52.6 40.1 97 97 A E H X S+ 0 0 99 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.897 108.7 49.8 -57.9 -47.7 97.5 53.4 42.3 98 98 A A H X S+ 0 0 1 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.895 110.1 52.1 -60.6 -40.3 96.6 57.1 42.6 99 99 A I H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.924 110.8 46.6 -62.8 -46.7 93.0 56.3 43.6 100 100 A E H X S+ 0 0 80 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.857 110.6 52.3 -67.2 -34.2 94.1 53.9 46.3 101 101 A E H X S+ 0 0 103 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.932 109.8 49.2 -66.9 -43.5 96.7 56.4 47.7 102 102 A A H X S+ 0 0 9 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.899 108.6 53.3 -61.3 -42.2 94.0 59.1 47.9 103 103 A A H X>S+ 0 0 9 -4,-2.0 5,-1.9 2,-0.2 4,-0.7 0.865 111.7 46.4 -61.5 -37.4 91.6 56.8 49.7 104 104 A D H ><5S+ 0 0 133 -4,-1.7 3,-0.9 3,-0.2 -2,-0.2 0.969 109.6 52.0 -68.4 -54.6 94.3 56.1 52.3 105 105 A K H 3<5S+ 0 0 130 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.857 125.1 27.4 -51.5 -40.6 95.3 59.7 52.8 106 106 A F H 3<5S- 0 0 37 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.366 106.5-121.1-106.7 4.6 91.7 60.7 53.5 107 107 A D T <<5 + 0 0 98 -3,-0.9 2,-0.5 -4,-0.7 -3,-0.2 0.973 46.9 166.5 54.6 68.2 90.3 57.3 54.8 108 108 A I < - 0 0 12 -5,-1.9 2,-1.1 -6,-0.0 -1,-0.2 -0.962 27.6-150.2-116.2 120.3 87.6 56.6 52.3 109 109 A D - 0 0 107 -2,-0.5 2,-0.2 28,-0.0 -104,-0.1 -0.760 59.9 -62.6 -93.6 95.6 86.1 53.1 52.2 110 110 A G S S+ 0 0 9 -2,-1.1 30,-0.2 1,-0.1 -103,-0.2 -0.498 79.7 135.1 68.7-132.2 85.0 52.4 48.7 111 111 A N + 0 0 36 28,-0.8 -104,-2.4 -2,-0.2 2,-0.4 0.915 38.1 177.3 51.7 57.2 82.2 54.9 47.6 112 112 A R E -bd 7 142A 24 29,-2.1 31,-2.2 -106,-0.2 2,-0.4 -0.717 19.8-170.4 -99.6 137.4 83.7 55.7 44.2 113 113 A I E -bd 8 143A 1 -106,-2.6 -104,-2.9 -2,-0.4 2,-0.5 -0.992 6.5-160.6-124.4 127.5 82.3 57.9 41.5 114 114 A F E -bd 9 144A 0 29,-2.8 31,-2.7 -2,-0.4 2,-0.6 -0.957 5.3-161.9-112.0 121.1 83.8 58.0 38.0 115 115 A Y E -bd 10 145A 1 -106,-3.2 -104,-2.7 -2,-0.5 2,-1.1 -0.915 5.8-153.9-106.3 121.6 82.9 61.0 35.9 116 116 A M E +bd 11 146A 0 29,-2.5 31,-0.9 -2,-0.6 2,-0.6 -0.706 26.7 160.5 -97.9 88.0 83.5 60.7 32.1 117 117 A S + 0 0 20 -106,-2.0 2,-0.2 -2,-1.1 -99,-0.2 -0.398 48.1 99.5-100.5 54.4 84.1 64.3 30.8 118 118 A V S S- 0 0 36 -2,-0.6 29,-0.1 1,-0.1 5,-0.1 -0.657 85.6 -57.6-126.9-178.0 85.7 63.0 27.6 119 119 A A > - 0 0 29 -2,-0.2 3,-2.2 1,-0.1 4,-0.4 -0.401 51.4-117.6 -65.1 141.2 84.8 62.3 24.0 120 120 A P G > S+ 0 0 65 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.773 108.3 69.9 -49.8 -34.5 81.8 59.9 23.6 121 121 A R G 3 S+ 0 0 187 1,-0.3 4,-0.4 2,-0.1 3,-0.1 0.688 96.6 54.2 -62.2 -17.0 83.9 57.3 21.7 122 122 A F G <> S+ 0 0 41 -3,-2.2 4,-2.8 1,-0.1 5,-0.3 0.673 81.6 93.0 -90.5 -17.0 85.8 56.6 24.9 123 123 A F H <> S+ 0 0 2 -3,-1.3 4,-1.6 -4,-0.4 -1,-0.1 0.847 91.5 36.8 -44.0 -56.1 82.7 55.8 27.1 124 124 A G H > S+ 0 0 8 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.909 115.9 55.2 -66.9 -42.3 82.6 52.1 26.5 125 125 A T H > S+ 0 0 51 -4,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.944 107.9 47.7 -54.1 -54.6 86.3 51.7 26.6 126 126 A I H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.904 111.0 50.7 -56.1 -48.4 86.8 53.4 30.0 127 127 A A H X S+ 0 0 0 -4,-1.6 4,-1.5 -5,-0.3 -1,-0.2 0.917 109.3 50.4 -59.4 -44.8 84.0 51.4 31.7 128 128 A K H X S+ 0 0 97 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.896 111.9 47.5 -62.9 -39.1 85.4 48.0 30.5 129 129 A Y H X S+ 0 0 66 -4,-2.0 4,-2.8 2,-0.2 6,-0.3 0.827 102.7 61.9 -71.9 -32.3 88.9 48.9 31.7 130 130 A L H <>S+ 0 0 0 -4,-2.0 5,-2.3 -5,-0.2 6,-1.0 0.910 113.4 39.0 -58.5 -39.2 87.6 50.0 35.1 131 131 A K H ><5S+ 0 0 120 -4,-1.5 3,-1.5 3,-0.2 -2,-0.2 0.981 119.7 41.6 -73.6 -61.0 86.4 46.5 35.5 132 132 A S H 3<5S+ 0 0 75 -4,-2.5 -3,-0.2 1,-0.3 -2,-0.2 0.836 118.2 46.3 -59.7 -36.0 89.2 44.4 34.0 133 133 A E T 3<5S- 0 0 66 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.360 112.5-115.7 -90.4 4.1 92.0 46.5 35.5 134 134 A G T < 5 + 0 0 37 -3,-1.5 -3,-0.2 -4,-0.1 -4,-0.1 0.805 69.2 134.9 70.1 36.6 90.5 46.6 39.0 135 135 A L < + 0 0 0 -5,-2.3 2,-0.2 -6,-0.3 -4,-0.2 0.643 44.8 100.4 -87.6 -15.9 89.6 50.3 39.6 136 136 A L S S- 0 0 30 -6,-1.0 2,-0.1 -5,-0.1 6,-0.1 -0.476 80.0-114.2 -71.6 138.0 86.2 49.5 41.0 137 137 A A - 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0 0 14 -5,-0.3 -1,-0.4 -127,-0.1 -5,-0.2 -0.686 68.8 -35.5 127.2 177.3 57.5 77.9 13.1 467 467 A P >> - 0 0 6 0, 0.0 3,-1.8 0, 0.0 4,-0.6 -0.315 56.3-110.4 -71.1 160.4 55.9 76.8 9.8 468 468 A E H >> S+ 0 0 169 1,-0.3 4,-2.3 2,-0.2 3,-0.7 0.794 114.0 72.7 -61.4 -27.5 52.1 76.8 9.3 469 469 A A H 3> S+ 0 0 20 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.771 89.1 61.9 -58.2 -25.8 52.3 73.0 9.2 470 470 A S H <> S+ 0 0 2 -3,-1.8 4,-1.0 2,-0.2 -1,-0.3 0.907 108.1 41.0 -67.1 -41.7 52.9 73.1 13.0 471 471 A D H <>S+ 0 0 0 -4,-1.0 5,-2.3 -3,-0.2 3,-2.0 0.866 108.7 64.9 -76.3 -36.5 47.1 70.8 16.2 475 475 A A H ><5S+ 0 0 64 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.793 89.2 69.8 -57.2 -28.2 44.1 72.1 14.2 476 476 A A T 3<5S+ 0 0 81 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.757 108.3 34.8 -61.3 -27.3 43.4 68.5 13.1 477 477 A N T < 5S- 0 0 73 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.301 123.2-101.3-108.6 4.6 42.3 67.7 16.7 478 478 A G T < 5S+ 0 0 53 -3,-1.1 2,-0.2 -4,-0.4 -3,-0.2 0.826 83.5 124.4 78.3 33.1 40.8 71.1 17.4 479 479 A D < - 0 0 14 -5,-2.3 2,-0.3 -8,-0.1 -1,-0.3 -0.740 41.1-162.3-119.3 169.9 43.7 72.3 19.4 480 480 A A - 0 0 59 -2,-0.2 2,-0.2 -6,-0.1 -9,-0.1 -0.989 33.8 -95.0-153.1 144.9 46.0 75.3 19.1 481 481 A W - 0 0 4 -2,-0.3 -10,-0.0 1,-0.1 -11,-0.0 -0.441 29.5-154.3 -62.4 129.6 49.5 76.2 20.5 482 482 A V S S+ 0 0 37 -2,-0.2 2,-0.7 1,-0.1 -1,-0.1 0.950 79.5 65.9 -71.1 -51.9 49.0 78.2 23.8 483 483 A F + 0 0 21 1,-0.2 -1,-0.1 -137,-0.0 -2,-0.1 -0.647 58.6 176.2 -77.0 113.9 52.3 80.1 23.6 484 484 A K 0 0 135 -2,-0.7 -1,-0.2 1,-0.4 -19,-0.1 0.520 360.0 360.0 -95.6 -9.6 52.2 82.4 20.6 485 485 A G 0 0 73 -20,-0.1 -1,-0.4 -21,-0.0 -143,-0.1 -0.634 360.0 360.0 123.7 360.0 55.5 84.1 21.1