==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-APR-11 3AY6 . COMPND 2 MOLECULE: GLUCOSE 1-DEHYDROGENASE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS MEGATERIUM; . AUTHOR T.NISHIOKA,Y.YASUTAKE,Y.NISHIYA,T.TAMURA . 1059 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34738.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 810 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 72 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 145 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 391 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 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 0 4 0 0 3 1 0 4 8 0 4 4 3 1 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 H 0 0 135 0, 0.0 2,-0.2 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 149.0 24.8 -22.6 9.8 2 0 A H - 0 0 24 30,-0.1 3,-0.2 1,-0.1 30,-0.1 -0.828 360.0 -91.4-146.9 179.8 24.6 -20.3 6.7 3 1 A M S S+ 0 0 42 -2,-0.2 2,-0.9 1,-0.2 3,-0.1 0.921 109.5 37.9 -63.9 -56.4 25.6 -19.7 3.1 4 2 A Y > - 0 0 0 1,-0.2 3,-2.2 798,-0.0 4,-0.4 -0.802 63.2-176.3-107.9 91.2 28.9 -17.9 3.2 5 3 A T G > S+ 0 0 92 -2,-0.9 3,-1.7 1,-0.3 -1,-0.2 0.866 81.0 63.6 -59.5 -34.4 30.9 -19.3 6.1 6 4 A D G 3 S+ 0 0 38 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.607 90.9 67.1 -64.7 -12.9 33.7 -16.8 5.5 7 5 A L G X S+ 0 0 2 -3,-2.2 3,-1.9 2,-0.1 -1,-0.3 0.638 71.7 118.1 -84.3 -12.4 31.3 -13.9 6.4 8 6 A K T < S- 0 0 99 -3,-1.7 26,-0.3 -4,-0.4 25,-0.2 -0.314 88.7 -1.0 -54.2 126.7 31.0 -15.0 10.0 9 7 A D T 3 S+ 0 0 74 24,-3.0 -1,-0.3 1,-0.2 2,-0.2 0.523 92.7 145.3 67.6 7.4 32.3 -12.3 12.4 10 8 A K < - 0 0 73 -3,-1.9 25,-2.9 19,-0.1 2,-0.7 -0.566 52.8-122.9 -71.3 140.0 33.2 -9.9 9.6 11 9 A V E -a 35 0A 2 -2,-0.2 78,-2.8 23,-0.2 79,-2.7 -0.811 33.6-175.3 -91.9 116.1 32.7 -6.3 10.4 12 10 A V E -ab 36 90A 0 23,-2.5 25,-2.8 -2,-0.7 2,-0.4 -0.957 10.9-160.6-121.9 116.2 30.3 -4.7 7.9 13 11 A V E -ab 37 91A 0 77,-2.7 79,-3.4 -2,-0.5 2,-0.4 -0.842 9.4-172.9 -99.3 134.8 29.4 -1.0 7.9 14 12 A I E > -ab 38 92A 0 23,-2.5 25,-2.3 -2,-0.4 3,-1.1 -0.938 13.0-152.4-134.0 109.7 26.2 0.0 6.0 15 13 A T T 3 S+ 0 0 5 77,-2.3 79,-0.3 -2,-0.4 25,-0.1 -0.536 92.6 21.3 -77.8 147.3 25.2 3.6 5.4 16 14 A G T > S+ 0 0 17 -2,-0.2 3,-1.1 78,-0.2 7,-0.3 0.788 86.7 152.5 60.9 28.4 21.3 4.0 5.1 17 15 A G T < + 0 0 0 22,-1.2 9,-0.2 -3,-1.1 23,-0.1 0.460 51.9 65.3 -71.4 -1.0 21.4 0.7 7.0 18 16 A S T 3 S+ 0 0 9 21,-0.4 2,-0.3 8,-0.1 -1,-0.2 0.510 102.4 32.2-103.4 -5.2 17.9 1.2 8.6 19 17 A T S X> S- 0 0 47 -3,-1.1 4,-2.3 31,-0.0 3,-0.6 -0.915 105.0 -15.5-140.6 164.9 15.5 1.2 5.7 20 18 A G H 3> S- 0 0 18 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.042 125.0 -3.4 51.7-133.0 15.1 -0.4 2.2 21 19 A L H 3> S+ 0 0 25 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.898 134.5 57.5 -63.6 -40.8 18.2 -2.0 0.6 22 20 A G H <> S+ 0 0 0 -3,-0.6 4,-2.6 -6,-0.3 -2,-0.2 0.926 110.2 42.8 -52.4 -50.0 20.4 -0.9 3.6 23 21 A R H X S+ 0 0 47 -4,-2.3 4,-2.8 -7,-0.3 5,-0.2 0.901 112.4 53.4 -65.8 -42.8 18.1 -2.8 6.0 24 22 A A H X S+ 0 0 20 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.910 111.8 46.1 -60.8 -42.6 17.8 -5.8 3.8 25 23 A M H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.937 110.6 53.2 -63.0 -46.8 21.6 -6.0 3.5 26 24 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.926 112.2 44.5 -54.2 -48.8 22.0 -5.5 7.3 27 25 A V H X S+ 0 0 29 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.905 113.0 51.6 -62.0 -43.5 19.6 -8.4 8.0 28 26 A R H X S+ 0 0 21 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.909 109.3 48.3 -62.3 -44.0 21.3 -10.6 5.4 29 27 A F H <>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.2 -1,-0.2 0.838 108.5 56.8 -66.1 -28.8 24.7 -10.0 6.8 30 28 A G H ><5S+ 0 0 0 -4,-1.7 3,-1.8 -5,-0.3 -2,-0.2 0.892 102.4 53.9 -63.2 -42.2 23.2 -10.9 10.2 31 29 A Q H 3<5S+ 0 0 98 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.781 105.3 54.0 -62.5 -27.3 22.0 -14.2 8.7 32 30 A E T 3<5S- 0 0 5 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.293 121.6-114.3 -88.2 8.9 25.7 -14.7 7.7 33 31 A E T < 5 + 0 0 53 -3,-1.8 -24,-3.0 -25,-0.2 -3,-0.2 0.849 64.5 151.9 62.1 39.1 26.5 -14.1 11.4 34 32 A A < - 0 0 0 -5,-2.4 26,-1.9 -26,-0.3 2,-0.7 -0.405 53.6-109.8 -88.7 171.2 28.4 -10.9 10.7 35 33 A K E -ac 11 60A 45 -25,-2.9 -23,-2.5 24,-0.2 2,-0.5 -0.930 40.8-159.5-105.2 106.8 28.9 -7.8 12.9 36 34 A V E -ac 12 61A 0 24,-3.4 26,-1.9 -2,-0.7 2,-0.7 -0.787 16.1-159.9-102.0 126.4 26.8 -5.1 11.4 37 35 A V E -ac 13 62A 0 -25,-2.8 -23,-2.5 -2,-0.5 2,-0.8 -0.902 15.8-156.8-102.1 105.9 27.2 -1.3 12.0 38 36 A I E -ac 14 63A 0 24,-3.0 26,-2.5 -2,-0.7 2,-0.3 -0.768 5.3-161.4 -89.4 107.5 23.9 0.3 11.0 39 37 A N E - c 0 64A 5 -25,-2.3 -22,-1.2 -2,-0.8 -21,-0.4 -0.643 13.8-179.1 -82.7 145.6 24.5 3.9 10.1 40 38 A Y E - c 0 65A 23 24,-1.6 26,-2.5 -2,-0.3 4,-0.1 -0.997 29.5-142.9-148.0 148.8 21.3 6.1 10.1 41 39 A Y S S- 0 0 136 -2,-0.3 -1,-0.2 24,-0.2 3,-0.1 0.983 79.5 -41.3 -74.1 -64.4 20.5 9.8 9.4 42 40 A N S S+ 0 0 120 1,-0.1 2,-1.1 23,-0.1 23,-0.0 0.450 102.6 98.6-154.2 4.6 17.8 10.6 12.0 43 41 A N > + 0 0 67 1,-0.2 4,-1.9 2,-0.1 3,-0.2 -0.725 41.8 174.0 -98.4 86.5 15.1 7.9 12.6 44 42 A E H > S+ 0 0 113 -2,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.859 73.4 51.8 -58.5 -42.2 16.6 6.4 15.8 45 43 A E H > S+ 0 0 141 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.835 108.9 49.9 -70.6 -35.3 13.6 4.0 16.5 46 44 A E H > S+ 0 0 64 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.895 110.6 51.2 -64.0 -42.4 13.7 2.5 12.9 47 45 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.886 109.6 50.4 -62.4 -38.5 17.4 2.0 13.3 48 46 A L H X S+ 0 0 78 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.886 108.7 51.7 -65.2 -41.5 16.7 0.2 16.7 49 47 A D H X S+ 0 0 89 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.915 110.7 48.4 -56.9 -44.9 14.1 -2.0 14.9 50 48 A A H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.905 108.6 53.4 -64.5 -42.6 16.7 -2.9 12.3 51 49 A K H X S+ 0 0 59 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.876 108.0 51.4 -57.4 -41.0 19.4 -3.7 15.0 52 50 A K H X S+ 0 0 113 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.883 108.6 51.3 -66.6 -39.9 16.8 -6.1 16.6 53 51 A E H X S+ 0 0 77 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.912 108.4 50.7 -63.2 -44.6 16.3 -7.8 13.2 54 52 A V H X>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 4,-0.7 0.958 112.1 47.2 -55.3 -54.5 20.0 -8.3 12.6 55 53 A E H ><5S+ 0 0 72 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.899 113.0 47.9 -54.5 -48.2 20.5 -9.9 16.1 56 54 A E H 3<5S+ 0 0 142 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.875 106.4 57.8 -63.2 -37.3 17.4 -12.1 15.6 57 55 A A H 3<5S- 0 0 35 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.654 131.9 -94.7 -65.1 -17.1 18.8 -13.2 12.2 58 56 A G T <<5S+ 0 0 40 -3,-1.0 -3,-0.2 -4,-0.7 2,-0.2 0.528 88.3 102.1 114.6 11.1 21.9 -14.3 14.0 59 57 A G < - 0 0 11 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.3 -0.482 66.4-110.5-107.4-178.4 24.4 -11.4 13.9 60 58 A Q E -c 35 0A 100 -26,-1.9 -24,-3.4 -2,-0.2 2,-0.3 -0.872 37.9-177.4-106.6 154.8 25.6 -8.6 16.1 61 59 A A E -c 36 0A 7 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.999 19.9-175.7-152.7 145.4 24.7 -5.0 15.5 62 60 A I E -c 37 0A 32 -26,-1.9 -24,-3.0 -2,-0.3 2,-0.4 -0.918 22.3-134.5-128.9 160.4 25.2 -1.4 16.7 63 61 A I E -c 38 0A 35 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.954 18.6-173.7-115.2 140.3 23.6 1.8 15.4 64 62 A V E -c 39 0A 14 -26,-2.5 -24,-1.6 -2,-0.4 2,-0.2 -0.975 19.0-135.3-136.9 121.1 25.6 4.9 14.7 65 63 A Q E +c 40 0A 88 -2,-0.4 2,-0.2 -26,-0.2 -24,-0.2 -0.463 39.9 146.7 -69.7 140.2 24.0 8.2 13.7 66 64 A G - 0 0 3 -26,-2.5 2,-0.6 -2,-0.2 -2,-0.1 -0.801 45.1-138.7-177.3 138.2 25.7 10.1 10.9 67 65 A D > - 0 0 24 -2,-0.2 3,-2.2 1,-0.1 6,-0.3 -0.903 19.9-150.1 -95.6 114.9 25.0 12.4 7.9 68 66 A V T 3 S+ 0 0 15 -2,-0.6 56,-0.2 1,-0.3 57,-0.1 0.591 94.3 67.4 -66.4 -12.2 27.2 11.1 5.0 69 67 A T T 3 S+ 0 0 55 1,-0.1 2,-0.6 55,-0.1 -1,-0.3 0.473 89.2 78.3 -83.0 -3.3 27.5 14.7 3.7 70 68 A K S X> S- 0 0 94 -3,-2.2 4,-1.7 1,-0.1 3,-0.7 -0.928 71.2-154.1-109.8 116.3 29.5 15.5 6.8 71 69 A E H 3> S+ 0 0 71 -2,-0.6 4,-2.6 1,-0.3 5,-0.2 0.854 96.6 51.9 -53.9 -42.4 33.2 14.4 6.7 72 70 A E H 3> S+ 0 0 123 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.824 106.8 54.3 -66.0 -31.3 33.4 14.1 10.5 73 71 A D H <> S+ 0 0 30 -3,-0.7 4,-1.7 -6,-0.3 -1,-0.2 0.868 111.5 44.2 -68.2 -37.8 30.3 11.9 10.6 74 72 A V H X S+ 0 0 4 -4,-1.7 4,-1.9 -7,-0.3 5,-0.2 0.900 114.5 49.1 -72.7 -42.7 31.8 9.5 8.1 75 73 A V H X S+ 0 0 46 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.956 113.0 47.9 -58.8 -51.0 35.1 9.5 9.9 76 74 A N H X S+ 0 0 85 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.865 108.4 55.8 -54.7 -40.9 33.3 8.9 13.2 77 75 A L H X S+ 0 0 1 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.912 111.9 40.4 -62.4 -46.9 31.3 6.1 11.7 78 76 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.926 116.4 50.7 -69.8 -44.6 34.3 4.1 10.5 79 77 A Q H X S+ 0 0 99 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.908 108.9 52.3 -58.4 -41.8 36.2 4.9 13.8 80 78 A T H X S+ 0 0 29 -4,-3.2 4,-2.5 -5,-0.2 5,-0.3 0.894 107.4 52.2 -61.1 -40.8 33.2 3.7 15.8 81 79 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 6,-0.5 0.912 111.7 46.0 -61.8 -44.1 33.1 0.4 13.9 82 80 A I H X S+ 0 0 31 -4,-2.1 4,-1.7 4,-0.2 -2,-0.2 0.935 114.9 46.6 -65.5 -44.9 36.8 -0.2 14.6 83 81 A K H < S+ 0 0 173 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.900 119.9 38.4 -63.5 -43.2 36.5 0.7 18.3 84 82 A E H < S+ 0 0 101 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.891 131.5 23.3 -78.1 -45.2 33.4 -1.4 19.0 85 83 A F H < S- 0 0 32 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.525 102.9-118.2-105.0 -8.6 34.0 -4.5 16.9 86 84 A G S < S+ 0 0 54 -4,-1.7 2,-0.2 -5,-0.4 -4,-0.2 0.138 79.8 10.4 99.9 -19.4 37.8 -4.3 16.7 87 85 A T S S- 0 0 36 -6,-0.5 2,-0.3 0, 0.0 -2,-0.2 -0.875 70.4-110.1-164.8-171.9 38.3 -3.9 12.9 88 86 A L + 0 0 0 -2,-0.2 -76,-0.2 1,-0.1 3,-0.1 -0.977 29.7 162.5-142.1 132.9 36.5 -3.3 9.6 89 87 A D + 0 0 28 -78,-2.8 52,-2.1 1,-0.4 2,-0.4 0.745 67.7 28.0-116.0 -40.7 36.0 -5.9 6.8 90 88 A V E -bd 12 141A 4 -79,-2.7 -77,-2.7 50,-0.2 2,-0.6 -0.995 57.6-162.5-131.0 128.1 33.3 -4.6 4.5 91 89 A M E -bd 13 142A 0 50,-2.4 52,-3.1 -2,-0.4 2,-0.6 -0.964 9.4-171.5-108.9 114.7 32.3 -0.9 3.8 92 90 A I E -bd 14 143A 0 -79,-3.4 -77,-2.3 -2,-0.6 2,-1.0 -0.927 6.6-166.5-108.8 109.6 28.8 -0.6 2.2 93 91 A N E + d 0 144A 6 50,-2.2 52,-2.8 -2,-0.6 29,-0.1 -0.802 32.9 141.9 -92.3 97.8 28.0 2.9 1.0 94 92 A N + 0 0 22 -2,-1.0 -1,-0.2 -79,-0.3 -78,-0.2 0.629 22.7 115.2-117.7 -18.2 24.3 2.7 0.4 95 93 A A + 0 0 23 -3,-0.2 2,-0.3 22,-0.1 27,-0.1 -0.317 38.5 148.5 -62.4 136.9 22.7 6.0 1.5 96 94 A G - 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0 0 0 -5,-1.6 2,-0.4 -8,-0.1 -1,-0.3 -0.812 38.8-154.2 -89.5 117.4 41.2 -4.7 -1.7 184 182 A R E -e 141 0A 23 -44,-1.5 -42,-2.6 -2,-0.6 2,-0.4 -0.764 12.0-174.3 -96.9 137.1 38.1 -5.3 -3.9 185 183 A V E +e 142 0A 0 -2,-0.4 58,-3.0 -44,-0.2 2,-0.3 -0.991 14.6 163.6-132.2 121.2 35.7 -2.4 -4.7 186 184 A N E -e 143 0A 0 -44,-2.3 -42,-2.6 -2,-0.4 2,-0.3 -0.948 26.9-135.4-138.9 153.6 32.5 -3.1 -6.6 187 185 A N E -ef 144 245A 0 57,-3.2 59,-2.3 -2,-0.3 2,-0.4 -0.845 7.6-149.5-103.7 151.1 29.1 -1.6 -7.4 188 186 A I E -ef 145 246A 0 -44,-1.8 -42,-2.4 -2,-0.3 59,-0.2 -0.970 9.2-160.5-109.9 132.5 25.7 -3.0 -7.3 189 187 A G E - f 0 247A 0 57,-2.1 59,-1.8 -2,-0.4 -42,-0.2 -0.757 12.7-171.1-113.0 86.1 23.2 -1.6 -9.8 190 188 A P E - f 0 248A 9 0, 0.0 -42,-1.7 0, 0.0 -41,-0.3 -0.410 10.6-147.0 -74.0 153.0 19.6 -2.4 -8.7 191 189 A G - 0 0 12 57,-1.7 2,-0.3 1,-0.2 59,-0.1 0.042 64.4 -26.9 -87.1-153.3 16.6 -1.7 -10.9 192 190 A A S S- 0 0 5 57,-0.3 29,-2.7 19,-0.1 2,-0.3 -0.462 75.8-174.6 -60.7 118.3 13.2 -0.7 -9.5 193 191 A M B -g 221 0B 5 -2,-0.3 2,-1.5 27,-0.2 5,-0.2 -0.902 34.2-109.2-119.1 149.8 13.0 -2.1 -5.9 194 192 A N S S+ 0 0 101 27,-2.7 -174,-0.0 -2,-0.3 -2,-0.0 -0.581 72.2 118.0 -76.8 91.5 10.3 -2.2 -3.3 195 193 A T S > S- 0 0 17 -2,-1.5 3,-1.4 27,-0.1 4,-0.2 -0.868 80.8 -90.5-145.6 172.1 11.7 0.3 -0.8 196 194 A P G > S+ 0 0 78 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.657 115.9 73.1 -64.7 -18.9 10.7 3.7 0.7 197 195 A I G 3 S+ 0 0 76 1,-0.2 4,-0.2 2,-0.1 -3,-0.1 0.798 111.9 30.1 -62.8 -23.9 12.5 5.6 -2.0 198 196 A N G <> S+ 0 0 11 -3,-1.4 4,-3.4 -5,-0.2 5,-0.2 0.285 89.2 109.7-113.6 3.3 9.6 4.4 -4.3 199 197 A A H <> S+ 0 0 50 -3,-0.6 4,-1.3 2,-0.2 5,-0.2 0.897 82.7 42.2 -51.7 -54.1 6.8 4.3 -1.7 200 198 A E H > S+ 0 0 170 -4,-0.4 4,-1.0 1,-0.2 3,-0.5 0.932 117.0 48.9 -62.3 -47.2 4.8 7.3 -2.9 201 199 A K H >4 S+ 0 0 31 1,-0.2 3,-0.5 2,-0.2 7,-0.4 0.910 114.3 45.5 -54.0 -48.0 5.3 6.2 -6.6 202 200 A F H 3< S+ 0 0 22 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.617 101.5 65.1 -78.9 -11.3 4.3 2.6 -5.8 203 201 A A H 3< S+ 0 0 76 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.770 89.3 77.7 -76.9 -27.8 1.2 3.7 -3.8 204 202 A D S S+ 0 0 98 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.779 89.6 52.8 -65.8 -28.5 -1.4 2.1 -8.9 206 204 A V H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.954 112.7 43.3 -72.0 -47.4 -1.0 3.6 -12.4 207 205 A Q H > S+ 0 0 92 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.921 111.6 56.5 -58.0 -44.9 2.7 4.5 -11.8 208 206 A R H X S+ 0 0 109 -4,-2.5 4,-2.4 -7,-0.4 -2,-0.2 0.940 110.9 41.7 -54.1 -53.2 3.3 1.1 -10.1 209 207 A A H X S+ 0 0 50 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.847 111.8 57.3 -62.8 -35.2 2.1 -0.8 -13.2 210 208 A D H < S+ 0 0 57 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.925 109.1 44.8 -60.8 -45.0 4.0 1.7 -15.5 211 209 A V H >< S+ 0 0 2 -4,-2.8 3,-2.1 1,-0.2 4,-0.3 0.941 111.5 53.4 -63.8 -45.8 7.3 0.8 -13.7 212 210 A E H >< S+ 0 0 45 -4,-2.4 3,-1.3 1,-0.3 6,-0.3 0.840 100.7 61.3 -58.8 -32.3 6.4 -2.9 -13.8 213 211 A S T 3< S+ 0 0 69 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.610 101.8 53.2 -68.1 -13.6 5.9 -2.5 -17.6 214 212 A M T < S+ 0 0 3 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.372 90.5 85.8-102.1 0.6 9.6 -1.4 -17.9 215 213 A I X - 0 0 5 -3,-1.3 3,-1.7 -4,-0.3 36,-0.1 -0.900 66.0-158.0-101.6 109.0 10.9 -4.5 -16.0 216 214 A P T 3 S+ 0 0 3 0, 0.0 35,-0.2 0, 0.0 -1,-0.2 0.895 93.4 57.3 -55.3 -40.9 11.4 -7.3 -18.5 217 215 A M T 3 S- 0 0 26 33,-2.3 34,-0.1 2,-0.1 33,-0.1 0.629 111.8-124.6 -66.8 -12.4 11.2 -9.9 -15.7 218 216 A G S < S+ 0 0 46 -3,-1.7 2,-0.4 -6,-0.3 -1,-0.1 0.385 72.5 83.8 92.0 -3.2 7.7 -8.5 -14.9 219 217 A Y S S- 0 0 72 31,-0.1 2,-0.2 -8,-0.1 -2,-0.1 -0.994 77.0-111.5-138.3 144.8 8.1 -7.6 -11.2 220 218 A I - 0 0 22 -2,-0.4 -27,-0.2 1,-0.1 30,-0.1 -0.462 54.1-104.0 -57.9 130.3 9.5 -4.9 -8.8 221 219 A G B -g 193 0B 0 -29,-2.7 -27,-2.7 -2,-0.2 -1,-0.1 -0.268 23.8-127.5 -67.4 147.2 12.5 -6.3 -7.1 222 220 A K >> - 0 0 108 -29,-0.2 3,-2.6 1,-0.1 4,-0.7 -0.789 21.1-123.8 -91.0 137.3 12.5 -7.5 -3.5 223 221 A P H >> S+ 0 0 29 0, 0.0 4,-2.1 0, 0.0 3,-1.1 0.832 109.3 64.4 -49.9 -38.8 15.2 -6.0 -1.3 224 222 A E H 3> S+ 0 0 124 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.706 93.6 61.8 -54.0 -25.2 16.5 -9.5 -0.3 225 223 A E H <> S+ 0 0 12 -3,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.819 108.0 42.7 -77.4 -29.9 17.4 -10.1 -4.0 226 224 A V H < S- 0 0 1 -4,-1.3 3,-1.5 -3,-0.3 -3,-0.0 -0.239 91.8-110.5 -82.6 167.2 32.4 -13.0 0.3 236 234 A S G > S+ 0 0 63 1,-0.3 3,-1.5 2,-0.2 4,-0.1 0.592 108.7 79.6 -75.2 -10.5 35.5 -14.9 -0.8 237 235 A Q G 3 S+ 0 0 29 1,-0.3 3,-0.3 -5,-0.2 -1,-0.3 0.813 94.1 49.3 -57.8 -33.6 33.4 -16.5 -3.6 238 236 A A G X S+ 0 0 0 -3,-1.5 3,-2.1 -6,-0.6 -1,-0.3 -0.036 74.3 132.9 -95.6 29.0 33.9 -13.2 -5.5 239 237 A S T < S+ 0 0 30 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.772 76.8 39.2 -50.1 -33.8 37.7 -13.4 -4.8 240 238 A Y T 3 S+ 0 0 2 -3,-0.3 809,-2.7 784,-0.2 2,-0.6 0.353 96.5 99.2-100.9 6.7 38.5 -12.6 -8.4 241 239 A V < + 0 0 1 -3,-2.1 2,-0.3 806,-0.2 806,-0.1 -0.859 42.8 139.7-103.6 114.1 35.7 -10.0 -8.9 242 240 A T + 0 0 0 -2,-0.6 808,-0.3 804,-0.2 806,-0.2 -0.991 56.5 22.7-149.2 149.3 36.6 -6.3 -8.5 243 241 A G S S+ 0 0 0 -58,-3.0 -57,-0.2 -2,-0.3 2,-0.2 0.612 89.2 127.5 74.7 12.6 35.7 -3.0 -10.3 244 242 A I - 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0 0 1 -5,-1.5 2,-0.4 -9,-0.1 -1,-0.3 -0.770 37.7-153.4 -86.6 117.0 45.0 3.2 -40.3 715 182 C R E -s 672 0E 19 -44,-1.7 -42,-2.4 -2,-0.7 2,-0.4 -0.757 12.2-172.9 -96.6 137.5 41.8 4.3 -38.8 716 183 C V E +s 673 0E 0 -2,-0.4 58,-3.4 -44,-0.2 2,-0.3 -0.991 14.5 160.2-132.9 123.1 38.9 1.9 -38.2 717 184 C N E -s 674 0E 0 -44,-2.2 -42,-2.6 -2,-0.4 2,-0.3 -0.970 27.9-137.3-143.0 151.9 35.5 3.1 -37.0 718 185 C N E -st 675 776E 0 57,-2.9 59,-2.2 -2,-0.3 2,-0.4 -0.811 8.4-150.3-101.2 151.6 31.8 2.1 -36.8 719 186 C I E -st 676 777E 0 -44,-1.8 -42,-2.5 -2,-0.3 59,-0.2 -0.965 10.2-158.5-110.6 136.9 28.7 4.2 -37.5 720 187 C G E - t 0 778E 0 57,-2.1 59,-1.2 -2,-0.4 -42,-0.2 -0.768 12.1-165.8-117.9 87.9 25.6 3.1 -35.5 721 188 C P E - t 0 779E 8 0, 0.0 -42,-1.8 0, 0.0 -41,-0.3 -0.346 7.2-147.9 -72.5 151.7 22.4 4.4 -37.1 722 189 C G - 0 0 12 57,-2.0 2,-0.5 1,-0.2 59,-0.1 0.055 63.7 -28.4 -87.2-152.9 19.0 4.4 -35.4 723 190 C A S S- 0 0 7 57,-0.3 29,-2.5 19,-0.1 2,-0.3 -0.534 76.2-172.6 -68.3 116.0 15.8 3.9 -37.3 724 191 C M B -u 752 0F 5 -2,-0.5 2,-1.8 27,-0.2 5,-0.2 -0.855 34.1-112.2-118.6 148.0 16.4 5.2 -40.9 725 192 C N S S+ 0 0 105 27,-2.9 -2,-0.0 -2,-0.3 -174,-0.0 -0.555 72.4 120.1 -77.0 81.1 14.2 5.8 -43.9 726 193 C T S > S- 0 0 19 -2,-1.8 3,-1.3 27,-0.1 4,-0.1 -0.810 79.7 -91.4-135.7 175.1 15.6 3.0 -46.2 727 194 C P G > S+ 0 0 77 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.827 117.2 69.1 -61.7 -32.5 14.4 -0.2 -48.0 728 195 C I G 3 S+ 0 0 75 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.789 111.4 34.6 -54.1 -27.5 15.3 -2.4 -45.0 729 196 C N G <> S+ 0 0 11 -3,-1.3 4,-2.9 -5,-0.2 -1,-0.3 0.200 87.6 109.4-109.6 12.7 12.4 -0.6 -43.2 730 197 C A H <> S+ 0 0 60 -3,-1.9 4,-0.9 2,-0.2 -2,-0.1 0.915 81.9 40.9 -59.5 -51.1 10.0 -0.2 -46.2 731 198 C E H >> S+ 0 0 180 -4,-0.4 4,-1.0 2,-0.2 3,-0.8 0.947 117.2 50.1 -63.5 -48.1 7.3 -2.7 -45.3 732 199 C K H >4 S+ 0 0 36 1,-0.2 3,-0.6 -4,-0.2 7,-0.3 0.914 111.4 47.2 -55.0 -48.9 7.4 -1.6 -41.6 733 200 C F H 3< S+ 0 0 25 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.594 99.3 70.0 -76.0 -9.9 7.1 2.1 -42.4 734 201 C A H << S+ 0 0 76 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.881 84.9 76.5 -69.2 -40.7 4.2 1.5 -44.8 735 202 C D S S+ 0 0 97 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.789 95.3 50.6 -66.4 -28.4 1.0 3.9 -40.2 737 204 C V H > S+ 0 0 103 2,-0.2 4,-1.3 3,-0.1 5,-0.1 0.896 113.4 44.2 -71.2 -43.2 0.6 2.3 -36.7 738 205 C Q H > S+ 0 0 91 2,-0.2 4,-2.6 1,-0.2 -475,-0.2 0.888 114.0 50.1 -67.4 -40.1 4.1 0.6 -36.9 739 206 C R H X S+ 0 0 119 -4,-2.5 4,-2.4 -7,-0.3 -2,-0.2 0.910 111.4 48.7 -61.8 -44.9 5.7 3.8 -38.3 740 207 C A H X S+ 0 0 49 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.2 0.807 110.7 52.9 -63.8 -31.2 4.2 5.8 -35.5 741 208 C D H < S+ 0 0 57 -4,-1.3 4,-0.4 2,-0.2 -2,-0.2 0.923 108.4 47.7 -72.1 -47.9 5.4 3.1 -33.1 742 209 C V H >< S+ 0 0 3 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.943 110.6 53.6 -56.3 -48.0 9.1 3.4 -34.3 743 210 C E H >< S+ 0 0 47 -4,-2.4 3,-2.0 1,-0.3 6,-0.3 0.859 100.9 59.2 -55.3 -41.6 8.8 7.2 -34.1 744 211 C S T 3< S+ 0 0 70 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.593 103.0 55.1 -62.6 -14.3 7.7 6.9 -30.4 745 212 C M T < S+ 0 0 2 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.369 92.6 80.7 -98.7 3.2 11.0 5.1 -29.8 746 213 C I X - 0 0 4 -3,-2.0 3,-1.8 -4,-0.2 36,-0.1 -0.931 66.9-157.1-112.0 109.3 13.1 7.9 -31.3 747 214 C P T 3 S+ 0 0 4 0, 0.0 35,-0.2 0, 0.0 -1,-0.2 0.870 94.0 57.4 -56.1 -38.3 13.6 10.7 -28.7 748 215 C M T 3 S- 0 0 26 33,-2.6 34,-0.1 32,-0.1 33,-0.1 0.648 110.6-126.6 -68.6 -13.2 14.3 13.3 -31.5 749 216 C G S < S+ 0 0 44 -3,-1.8 2,-0.3 -6,-0.3 -1,-0.1 0.479 72.1 84.1 90.2 2.9 10.8 12.4 -32.9 750 217 C Y S S- 0 0 68 31,-0.1 2,-0.2 -8,-0.1 -2,-0.1 -1.000 77.1-112.7-142.5 145.2 11.7 11.6 -36.5 751 218 C I - 0 0 20 -2,-0.3 -27,-0.2 1,-0.1 30,-0.0 -0.527 53.0-102.2 -67.2 132.8 12.9 8.7 -38.5 752 219 C G B -u 724 0F 0 -29,-2.5 -27,-2.9 -2,-0.2 -1,-0.1 -0.267 22.9-128.2 -67.5 143.7 16.4 9.5 -39.8 753 220 C K >> - 0 0 115 -29,-0.2 3,-2.4 1,-0.1 4,-0.6 -0.775 23.8-123.2 -87.1 134.8 17.1 10.7 -43.4 754 221 C P H >> S+ 0 0 19 0, 0.0 4,-1.9 0, 0.0 3,-0.8 0.746 108.9 64.7 -51.9 -30.6 19.9 8.6 -45.0 755 222 C E H 3> S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.749 91.2 64.7 -65.8 -25.3 21.9 11.8 -45.8 756 223 C E H <> S+ 0 0 13 -3,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.817 107.2 42.3 -63.8 -32.1 22.3 12.3 -42.0 757 224 C V H < S- 0 0 0 -4,-1.2 3,-1.4 -3,-0.3 -3,-0.0 -0.271 93.3-110.3 -83.4 166.5 38.0 12.8 -43.7 767 234 C S G > S+ 0 0 65 1,-0.3 3,-1.5 2,-0.1 4,-0.1 0.560 108.9 81.9 -73.5 -5.1 41.1 14.2 -42.0 768 235 C Q G 3 S+ 0 0 29 1,-0.3 3,-0.3 -5,-0.2 -1,-0.3 0.866 94.2 48.1 -59.3 -34.3 38.7 16.1 -39.7 769 236 C A G X S+ 0 0 0 -3,-1.4 3,-1.9 -6,-0.7 -1,-0.3 -0.059 75.0 133.8 -94.5 30.4 38.6 12.9 -37.8 770 237 C S T < S+ 0 0 33 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.782 76.1 39.4 -53.0 -33.7 42.4 12.4 -37.8 771 238 C Y T 3 S+ 0 0 1 -3,-0.3 -253,-2.4 -278,-0.2 2,-0.6 0.260 97.0 98.1-101.2 14.5 42.6 11.5 -34.0 772 239 C V < + 0 0 1 -3,-1.9 2,-0.3 -256,-0.2 -256,-0.1 -0.897 42.5 139.5-113.2 113.1 39.4 9.4 -34.1 773 240 C T + 0 0 0 -2,-0.6 -254,-0.3 -258,-0.1 -256,-0.2 -0.985 56.0 24.9-146.3 155.6 39.7 5.6 -34.4 774 241 C G S S+ 0 0 0 -58,-3.4 -57,-0.2 -2,-0.3 2,-0.1 0.555 89.0 127.0 73.8 7.5 38.1 2.6 -32.8 775 242 C I - 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