==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 12-MAR-10 3M5P . COMPND 2 MOLECULE: GLUCOSE-6-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. . AUTHOR J.OSIPIUK,N.MALTSEVA,J.HASSEMAN,W.F.ANDERSON,A.JOACHIMIAK . 542 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25179.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 3.9 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 . 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 . 32 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 219 40.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 3 1 2 3 1 1 2 1 1 2 0 2 0 0 1 0 2 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 3 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 . 4 1 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 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 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 N 0 0 219 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 25.0 70.1 74.9 12.2 2 0 A A - 0 0 51 1,-0.1 63,-0.1 492,-0.1 490,-0.0 -0.457 360.0 -88.5 -73.1 143.5 68.4 72.7 9.6 3 1 A X - 0 0 60 61,-0.1 2,-0.6 -2,-0.1 -1,-0.1 -0.203 41.1-122.5 -50.1 136.9 68.5 73.9 5.9 4 2 A L - 0 0 79 1,-0.2 3,-0.2 -3,-0.1 -1,-0.1 -0.775 26.3-174.4 -85.1 117.7 65.5 76.1 5.0 5 3 A F S S+ 0 0 2 -2,-0.6 2,-1.7 487,-0.5 5,-0.2 0.954 76.0 56.2 -75.0 -53.5 63.6 74.6 2.1 6 4 A a S S+ 0 0 22 486,-0.1 -1,-0.2 358,-0.1 2,-0.2 -0.611 82.0 140.8 -85.5 83.3 61.1 77.4 1.5 7 5 A D S > S- 0 0 49 -2,-1.7 4,-1.5 -3,-0.2 3,-0.3 -0.543 70.0 -87.9-116.4 180.0 63.6 80.2 1.0 8 6 A D H > S+ 0 0 119 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.872 121.9 63.2 -60.8 -35.8 63.8 83.3 -1.3 9 7 A S H > S+ 0 0 54 1,-0.2 4,-1.0 2,-0.2 3,-0.4 0.927 103.5 47.4 -53.3 -47.6 65.6 81.2 -4.0 10 8 A K H >> S+ 0 0 1 -3,-0.3 3,-0.8 -5,-0.2 4,-0.8 0.913 107.2 56.2 -61.6 -43.2 62.5 78.9 -4.4 11 9 A K H 3< S+ 0 0 77 -4,-1.5 3,-0.3 1,-0.2 -1,-0.2 0.822 108.3 49.2 -59.3 -32.3 60.1 81.9 -4.6 12 10 A Y H >< S+ 0 0 161 -4,-1.6 3,-1.4 -3,-0.4 -1,-0.2 0.655 91.2 75.3 -82.3 -21.2 62.2 83.2 -7.6 13 11 A L H X< S+ 0 0 1 -4,-1.0 3,-1.8 -3,-0.8 -1,-0.2 0.857 88.0 65.6 -57.2 -35.0 62.3 79.9 -9.5 14 12 A K G >< S+ 0 0 67 -4,-0.8 3,-2.1 -3,-0.3 -1,-0.3 0.730 83.3 73.1 -55.7 -30.1 58.7 80.8 -10.4 15 13 A E G < S+ 0 0 126 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.505 71.8 84.5 -73.2 -3.1 59.9 83.8 -12.4 16 14 A Q G < S- 0 0 87 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.714 90.2-148.3 -61.6 -20.0 61.1 81.3 -15.0 17 15 A N < - 0 0 125 -3,-2.1 -2,-0.1 1,-0.2 -3,-0.1 0.928 13.2-149.6 50.4 55.4 57.4 81.7 -16.1 18 16 A I - 0 0 9 -4,-0.3 2,-0.5 31,-0.2 -1,-0.2 -0.320 13.3-164.2 -58.9 130.8 57.2 78.1 -17.4 19 17 A N > - 0 0 46 1,-0.1 4,-2.0 -3,-0.1 5,-0.2 -0.974 5.5-158.7-117.3 110.1 54.7 77.8 -20.3 20 18 A L H > S+ 0 0 0 -2,-0.5 4,-2.4 1,-0.2 5,-0.3 0.906 90.1 52.2 -58.4 -46.5 54.0 74.0 -20.8 21 19 A K H > S+ 0 0 51 404,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.920 111.8 47.9 -54.6 -46.8 52.8 74.3 -24.4 22 20 A N H > S+ 0 0 90 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.866 110.2 51.8 -64.5 -39.1 56.0 76.1 -25.3 23 21 A E H X S+ 0 0 21 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.920 111.6 45.1 -65.5 -43.0 58.2 73.6 -23.5 24 22 A F H < S+ 0 0 59 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.853 113.1 52.8 -69.0 -33.7 56.7 70.6 -25.2 25 23 A D H < S+ 0 0 132 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.889 122.1 28.2 -65.7 -42.2 56.9 72.5 -28.6 26 24 A K H < S+ 0 0 153 -4,-2.0 2,-0.8 1,-0.2 -2,-0.2 0.704 111.6 65.3 -98.1 -22.2 60.6 73.3 -28.2 27 25 A D >< - 0 0 25 -4,-2.7 3,-1.6 -5,-0.2 4,-0.2 -0.842 53.0-177.9-109.2 98.3 62.0 70.4 -26.1 28 26 A D T 3 S+ 0 0 152 -2,-0.8 4,-0.2 1,-0.3 3,-0.1 0.596 86.2 51.2 -73.0 -5.7 61.7 67.1 -28.0 29 27 A K T 3> S+ 0 0 98 1,-0.1 4,-2.7 2,-0.1 -1,-0.3 0.227 74.3 113.0-111.7 15.2 63.2 65.3 -24.9 30 28 A R H <> S+ 0 0 2 -3,-1.6 4,-2.0 1,-0.2 -1,-0.1 0.894 79.9 43.7 -54.2 -46.3 60.7 66.8 -22.3 31 29 A V H 4 S+ 0 0 56 -4,-0.2 -1,-0.2 2,-0.2 14,-0.2 0.927 113.3 51.0 -69.1 -42.0 59.0 63.5 -21.5 32 30 A E H >4 S+ 0 0 120 1,-0.2 3,-0.7 -4,-0.2 -2,-0.2 0.921 113.9 45.7 -60.8 -40.0 62.2 61.5 -21.4 33 31 A K H 3< S+ 0 0 71 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.875 119.0 39.9 -68.5 -39.5 63.7 64.1 -19.0 34 32 A F T 3< S+ 0 0 0 -4,-2.0 11,-1.9 -5,-0.2 12,-0.5 -0.275 102.2 75.7-116.5 43.6 60.7 64.3 -16.7 35 33 A S E < -A 44 0A 17 -3,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.982 51.7-170.6-144.4 156.1 59.4 60.7 -16.4 36 34 A L E -A 43 0A 16 7,-2.2 7,-3.2 -2,-0.3 2,-0.4 -0.958 10.2-146.4-141.0 156.7 60.6 57.7 -14.5 37 35 A K E -A 42 0A 174 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.988 11.6-179.2-127.1 137.2 59.7 54.0 -14.5 38 36 A H E > -A 41 0A 20 3,-2.6 3,-2.3 -2,-0.4 255,-0.0 -0.914 64.7 -65.5-134.6 106.2 59.7 51.6 -11.6 39 37 A Q T 3 S- 0 0 118 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.340 123.1 -6.5 54.0-122.0 58.8 48.1 -12.6 40 38 A N T 3 S+ 0 0 35 -3,-0.1 428,-1.8 2,-0.0 2,-0.5 0.099 117.7 93.1 -88.1 14.8 55.1 48.3 -13.7 41 39 A I E < -AB 38 467A 2 -3,-2.3 -3,-2.6 426,-0.2 2,-0.5 -0.959 55.2-163.0-113.8 127.8 54.7 52.0 -12.7 42 40 A Y E -AB 37 466A 75 424,-2.8 424,-3.0 -2,-0.5 2,-0.7 -0.975 6.2-162.1-108.5 120.5 55.2 54.9 -15.1 43 41 A F E -AB 36 465A 1 -7,-3.2 -7,-2.2 -2,-0.5 2,-0.7 -0.904 7.9-175.4-108.4 104.1 55.6 58.2 -13.4 44 42 A D E +AB 35 464A 22 420,-2.9 420,-2.5 -2,-0.7 -9,-0.2 -0.879 18.7 157.8-108.3 104.7 55.1 61.1 -15.8 45 43 A Y > + 0 0 3 -11,-1.9 3,-1.4 -2,-0.7 -10,-0.2 0.155 40.8 111.9-107.6 19.9 55.8 64.5 -14.2 46 44 A S T 3 + 0 0 1 -12,-0.5 4,-0.2 1,-0.3 -1,-0.1 0.706 67.3 62.7 -72.7 -22.1 56.4 66.3 -17.5 47 45 A K T 3 S+ 0 0 27 415,-0.5 415,-0.9 -3,-0.2 -1,-0.3 0.192 82.3 110.5 -85.9 15.1 53.2 68.4 -17.3 48 46 A N S < S- 0 0 3 -3,-1.4 2,-2.4 413,-0.3 412,-0.0 -0.577 87.2-101.6 -85.8 157.8 54.5 70.1 -14.1 49 47 A L S S+ 0 0 6 -2,-0.2 2,-0.3 264,-0.1 -31,-0.2 -0.405 85.3 107.1 -80.6 66.4 55.6 73.8 -14.1 50 48 A I - 0 0 0 -2,-2.4 2,-0.3 -4,-0.2 -31,-0.0 -0.892 42.7-175.6-137.0 161.1 59.3 72.9 -14.3 51 49 A N > - 0 0 24 -2,-0.3 4,-2.7 -33,-0.1 5,-0.3 -0.803 54.6 -77.5-138.5-174.5 62.3 73.0 -16.6 52 50 A D H > S+ 0 0 63 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.923 128.8 49.5 -53.0 -46.8 65.8 71.8 -16.1 53 51 A Y H > S+ 0 0 129 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.935 112.5 46.0 -63.0 -46.6 66.9 74.8 -14.0 54 52 A I H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 116.5 44.8 -62.9 -46.4 63.9 74.5 -11.6 55 53 A L H X S+ 0 0 3 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.941 112.8 49.7 -66.0 -45.1 64.3 70.8 -11.2 56 54 A K H X S+ 0 0 90 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.897 110.7 52.1 -62.9 -35.8 68.0 70.9 -10.7 57 55 A S H X S+ 0 0 14 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.908 110.9 46.3 -63.5 -43.9 67.6 73.6 -8.2 58 56 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.921 112.2 51.3 -63.7 -43.9 65.0 71.5 -6.2 59 57 A L H X S+ 0 0 14 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.880 106.3 54.7 -62.2 -39.2 67.3 68.5 -6.4 60 58 A E H X S+ 0 0 111 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.890 105.7 52.9 -62.4 -38.0 70.2 70.5 -5.1 61 59 A S H X S+ 0 0 11 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.917 110.2 47.5 -61.3 -43.4 68.1 71.5 -2.1 62 60 A A H < S+ 0 0 0 -4,-1.9 5,-0.5 1,-0.2 6,-0.4 0.934 112.7 49.3 -62.5 -45.3 67.4 67.8 -1.4 63 61 A E H < S+ 0 0 116 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.896 112.6 47.1 -60.6 -40.6 71.1 67.0 -1.8 64 62 A K H < S+ 0 0 151 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.698 102.9 81.9 -73.7 -23.6 72.1 69.8 0.6 65 63 A S S < S- 0 0 19 -4,-1.3 3,-0.4 -3,-0.4 4,-0.2 -0.048 98.0-102.0 -71.9-179.6 69.4 68.7 3.2 66 64 A S S >> S+ 0 0 51 425,-0.2 4,-2.4 1,-0.2 3,-0.5 0.339 88.3 112.7 -82.7 7.6 69.7 66.0 5.7 67 65 A L H 3> + 0 0 0 -5,-0.5 4,-2.6 1,-0.3 5,-0.2 0.869 69.5 54.0 -54.6 -46.8 67.6 63.6 3.5 68 66 A K H 3> S+ 0 0 130 -3,-0.4 4,-1.5 -6,-0.4 -1,-0.3 0.921 115.4 41.3 -52.8 -46.1 70.4 61.1 2.6 69 67 A D H <> S+ 0 0 84 -3,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.885 112.3 54.3 -67.8 -41.8 71.1 60.6 6.3 70 68 A K H X S+ 0 0 54 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.846 104.3 55.1 -63.8 -37.7 67.4 60.6 7.3 71 69 A I H X S+ 0 0 7 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.949 111.3 44.3 -60.2 -46.0 66.7 57.8 4.8 72 70 A K H X S+ 0 0 113 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.918 112.5 52.6 -62.9 -41.8 69.4 55.7 6.4 73 71 A Q H X>S+ 0 0 75 -4,-2.6 5,-2.4 1,-0.2 4,-0.5 0.882 109.0 49.5 -64.6 -39.1 68.2 56.6 9.9 74 72 A X H ><5S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 14,-0.3 0.980 115.1 42.5 -60.8 -55.7 64.6 55.5 9.1 75 73 A F H 3<5S+ 0 0 26 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.829 113.2 52.5 -63.8 -33.4 65.6 52.2 7.6 76 74 A N H 3<5S- 0 0 108 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.434 117.3-107.4 -85.5 -1.3 68.2 51.4 10.4 77 75 A G T <<5 + 0 0 7 -3,-1.2 -3,-0.2 -4,-0.5 27,-0.1 0.723 58.1 163.4 85.6 19.8 65.7 52.0 13.2 78 76 A A < - 0 0 38 -5,-2.4 2,-2.1 -6,-0.2 10,-0.5 -0.388 53.6-103.4 -66.3 154.5 67.1 55.3 14.5 79 77 A K + 0 0 90 1,-0.2 8,-0.2 8,-0.2 6,-0.2 -0.395 60.5 153.5 -84.8 65.2 64.6 57.1 16.8 80 78 A I + 0 0 21 -2,-2.1 2,-1.6 -7,-0.2 -1,-0.2 0.608 55.0 83.1 -73.9 -13.8 63.5 59.6 14.2 81 79 A N B >> +F 86 0B 6 5,-2.3 5,-2.1 -3,-0.2 4,-1.0 -0.736 69.1 176.4 -83.0 87.2 60.1 60.0 15.8 82 80 A S T 45 + 0 0 37 -2,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.666 63.0 54.3 -84.5 -17.4 61.9 62.4 18.1 83 81 A T T 45S+ 0 0 60 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.794 120.4 33.1 -82.7 -28.2 59.0 63.6 20.3 84 82 A E T 45S- 0 0 42 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.458 106.0-126.2-100.7 -4.8 58.0 60.1 21.2 85 83 A H T <5 + 0 0 138 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.935 63.9 134.7 54.2 55.8 61.5 58.7 21.2 86 84 A R B < -F 81 0B 56 -5,-2.1 -5,-2.3 -7,-0.2 -1,-0.2 -0.937 57.1-116.8-131.8 150.0 60.5 55.9 18.8 87 85 A A - 0 0 2 -2,-0.3 2,-0.4 -8,-0.2 -8,-0.2 -0.315 22.1-135.5 -71.1 168.6 61.8 54.3 15.6 88 86 A V + 0 0 6 -10,-0.5 3,-0.2 -14,-0.3 -11,-0.2 -0.890 39.7 155.1-134.5 93.1 59.7 54.5 12.4 89 87 A L >> + 0 0 0 170,-2.3 4,-0.8 -2,-0.4 3,-0.8 -0.032 22.8 125.8-130.4 32.3 59.8 51.1 10.9 90 88 A H H >> S+ 0 0 0 169,-0.3 3,-0.9 1,-0.2 4,-0.5 0.877 78.2 64.2 -55.2 -32.9 56.8 50.5 8.8 91 89 A T H >4 S+ 0 0 6 1,-0.2 3,-1.3 -3,-0.2 -1,-0.2 0.890 94.3 58.3 -56.1 -37.4 59.4 49.6 6.1 92 90 A A H X4 S+ 0 0 3 -3,-0.8 3,-1.2 1,-0.3 -1,-0.2 0.794 91.4 70.8 -65.5 -27.0 60.5 46.6 8.2 93 91 A L H << S+ 0 0 4 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.790 110.7 31.2 -60.6 -27.8 56.9 45.2 8.1 94 92 A R T << S+ 0 0 3 -3,-1.3 -1,-0.3 -4,-0.5 197,-0.2 0.201 88.3 145.9-115.7 14.0 57.4 44.4 4.4 95 93 A D < + 0 0 30 -3,-1.2 -3,-0.1 -4,-0.2 193,-0.1 -0.245 19.5 167.6 -60.4 135.8 61.2 43.7 4.3 96 94 A L + 0 0 95 192,-0.1 -1,-0.1 195,-0.1 -4,-0.0 0.331 64.7 81.4-120.8 -2.4 62.5 41.0 1.9 97 95 A S S S- 0 0 47 1,-0.1 -2,-0.0 2,-0.1 -1,-0.0 0.814 74.6-155.1 -70.4 -33.6 66.3 42.0 2.3 98 96 A S + 0 0 94 1,-0.2 3,-0.1 11,-0.0 -1,-0.1 0.639 34.6 157.9 59.9 20.1 66.7 40.0 5.6 99 97 A T - 0 0 72 1,-0.1 -1,-0.2 10,-0.0 10,-0.1 -0.292 55.2 -80.4 -66.0 157.5 69.6 42.3 6.5 100 98 A P + 0 0 126 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.363 56.0 169.8 -65.6 135.5 70.4 42.4 10.2 101 99 A L + 0 0 13 -3,-0.1 7,-2.3 -2,-0.1 8,-0.7 -0.837 7.7 170.7-152.1 107.0 68.1 44.7 12.2 102 100 A I E +G 107 0C 126 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.985 10.9 168.9-121.8 118.1 68.1 44.8 16.0 103 101 A V E > -G 106 0C 9 3,-2.4 3,-1.9 -2,-0.5 -26,-0.1 -0.999 65.1 -6.8-136.0 131.0 66.0 47.7 17.5 104 102 A D T 3 S- 0 0 86 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.884 129.8 -54.8 50.2 43.6 65.0 48.1 21.2 105 103 A G T 3 S+ 0 0 75 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.455 115.0 112.0 75.0 3.5 66.4 44.7 22.0 106 104 A Q E < S-G 103 0C 56 -3,-1.9 -3,-2.4 4,-0.0 2,-1.0 -0.877 71.4-127.3-113.8 141.2 64.4 42.9 19.4 107 105 A D E > -G 102 0C 58 -2,-0.4 4,-2.7 -5,-0.2 -5,-0.2 -0.771 26.9-161.1 -77.4 104.1 65.5 41.1 16.3 108 106 A I H > S+ 0 0 0 -7,-2.3 4,-2.8 -2,-1.0 5,-0.3 0.859 85.8 55.3 -64.9 -33.7 63.0 43.0 14.0 109 107 A R H > S+ 0 0 41 -8,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.930 112.4 42.2 -65.4 -45.9 63.3 40.4 11.2 110 108 A Q H > S+ 0 0 140 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.913 114.7 52.1 -65.4 -41.2 62.4 37.6 13.6 111 109 A E H X S+ 0 0 38 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.926 113.1 42.5 -62.1 -47.9 59.6 39.7 15.2 112 110 A V H X S+ 0 0 12 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.938 116.0 48.0 -65.7 -47.9 58.0 40.6 11.9 113 111 A T H X S+ 0 0 89 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.899 110.3 51.3 -60.9 -44.0 58.2 37.1 10.4 114 112 A K H X S+ 0 0 138 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.928 110.8 47.5 -62.7 -45.7 56.9 35.4 13.5 115 113 A E H X S+ 0 0 8 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.905 110.3 53.2 -67.6 -36.2 53.8 37.6 13.7 116 114 A K H X S+ 0 0 38 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.915 107.3 51.5 -59.5 -44.2 53.1 37.1 10.0 117 115 A Q H X S+ 0 0 79 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.903 109.6 50.7 -60.8 -39.0 53.2 33.4 10.5 118 116 A R H X S+ 0 0 50 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.904 112.1 45.6 -64.0 -43.8 50.7 33.8 13.3 119 117 A V H X S+ 0 0 5 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.947 112.6 51.6 -63.8 -44.6 48.3 35.8 11.1 120 118 A K H X S+ 0 0 48 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.915 110.6 48.5 -57.1 -45.7 48.7 33.4 8.2 121 119 A E H X S+ 0 0 102 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.876 111.0 50.4 -63.7 -41.2 47.9 30.5 10.5 122 120 A L H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.958 112.0 46.6 -60.8 -52.0 44.8 32.3 11.9 123 121 A V H X S+ 0 0 5 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.930 114.5 47.7 -57.4 -47.8 43.5 33.1 8.4 124 122 A E H X S+ 0 0 82 -4,-2.6 4,-2.4 -5,-0.2 6,-0.3 0.896 111.2 50.5 -60.3 -42.3 44.1 29.5 7.2 125 123 A K H X>S+ 0 0 92 -4,-2.4 6,-2.1 2,-0.2 5,-1.5 0.901 115.5 42.9 -62.7 -42.7 42.4 28.0 10.4 126 124 A V H ><5S+ 0 0 0 -4,-2.5 3,-0.6 4,-0.2 13,-0.3 0.932 116.4 45.4 -70.5 -48.2 39.4 30.2 9.9 127 125 A V H 3<5S+ 0 0 42 -4,-3.0 -2,-0.2 -5,-0.3 -3,-0.2 0.881 113.4 49.9 -66.8 -35.9 39.1 29.7 6.1 128 126 A S H 3<5S- 0 0 61 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.648 114.6-115.7 -73.9 -19.5 39.6 25.9 6.2 129 127 A G T <<5S+ 0 0 6 -4,-0.6 -3,-0.2 -3,-0.6 -4,-0.1 0.564 84.3 117.8 91.5 9.8 37.0 25.6 9.0 130 128 A R < + 0 0 162 -5,-1.5 2,-0.5 -6,-0.3 -4,-0.2 0.848 67.4 66.6 -74.5 -34.3 39.3 24.3 11.7 131 129 A W S S- 0 0 21 -6,-2.1 8,-0.6 -9,-0.1 2,-0.3 -0.772 77.1-175.4 -77.9 125.8 38.4 27.4 13.8 132 130 A R B -H 138 0D 117 -2,-0.5 6,-0.2 6,-0.1 61,-0.1 -0.898 25.8-109.7-122.7 155.8 34.7 27.2 14.7 133 131 A G > - 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0 0 42 -4,-0.8 -26,-0.2 -3,-0.5 -28,-0.1 -0.374 47.9-161.9 -63.3 133.2 38.0 80.6 -22.1 456 454 A I B -N 428 0G 40 -28,-2.2 -28,-2.1 1,-0.1 -69,-0.1 -0.980 10.2-148.3-118.4 115.7 40.0 78.1 -20.1 457 455 A P - 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.850 28.5-177.4 -61.6 -37.5 43.3 79.6 -19.0 458 456 A G + 0 0 7 -72,-0.5 -32,-0.2 1,-0.1 -33,-0.2 -0.220 44.9 109.0 71.0-167.0 45.4 76.4 -19.1 459 457 A N + 0 0 46 -34,-2.2 -34,-0.2 1,-0.2 -33,-0.1 0.790 53.0 145.6 61.6 31.4 49.1 76.1 -18.1 460 458 A R - 0 0 50 -36,-2.7 -1,-0.2 -37,-0.1 -33,-0.1 -0.835 45.6-118.6-104.7 135.4 47.9 74.2 -15.1 461 459 A P + 0 0 3 0, 0.0 -67,-0.5 0, 0.0 2,-0.3 -0.298 34.1 165.2 -78.2 151.5 50.2 71.4 -13.8 462 460 A S - 0 0 1 -415,-0.9 -415,-0.5 -69,-0.1 2,-0.4 -0.979 23.5-149.8-153.5 160.4 49.6 67.7 -13.4 463 461 A T E - e 0 395A 5 -69,-2.1 -67,-3.1 -2,-0.3 2,-0.5 -0.958 14.2-154.0-120.7 138.6 51.4 64.4 -12.8 464 462 A T E -Be 44 396A 10 -420,-2.5 -420,-2.9 -2,-0.4 2,-0.6 -0.990 4.2-166.1-117.7 123.8 50.1 61.1 -14.2 465 463 A I E -Be 43 397A 0 -69,-2.9 -67,-2.8 -2,-0.5 2,-0.5 -0.968 12.4-165.5-106.3 112.6 51.0 57.9 -12.4 466 464 A L E -Be 42 398A 44 -424,-3.0 -424,-2.8 -2,-0.6 2,-0.3 -0.922 4.6-167.1-107.9 122.0 50.2 54.9 -14.7 467 465 A L E -Be 41 399A 0 -69,-2.8 -67,-3.2 -2,-0.5 -66,-0.2 -0.792 25.1-134.6 -99.4 147.2 50.1 51.4 -13.3 468 466 A D S S- 0 0 65 -428,-1.8 -67,-1.3 -2,-0.3 2,-0.3 0.905 86.3 -20.5 -64.0 -38.6 50.0 48.4 -15.7 469 467 A E - 0 0 80 -69,-0.2 2,-1.0 -429,-0.2 -1,-0.2 -0.948 67.2-105.0-160.7 165.7 47.2 46.9 -13.5 470 468 A L + 0 0 1 -69,-0.5 -71,-0.0 -2,-0.3 3,-0.0 -0.778 60.5 149.3-104.9 83.8 45.8 47.2 -10.0 471 469 A S > - 0 0 8 -2,-1.0 4,-2.7 1,-0.1 5,-0.3 -0.651 65.1 -97.8-104.9 168.9 47.1 44.1 -8.4 472 470 A P H > S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.941 126.0 47.4 -50.5 -46.9 48.1 43.4 -4.8 473 471 A Y H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.942 113.0 44.9 -62.9 -49.2 51.7 44.1 -5.8 474 472 A S H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.870 112.8 52.3 -67.4 -33.8 51.1 47.3 -7.8 475 473 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.925 108.4 51.0 -64.8 -42.7 48.8 48.7 -5.1 476 474 A G H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.928 111.4 47.9 -60.4 -43.3 51.5 48.0 -2.4 477 475 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.931 111.0 51.6 -60.2 -48.2 54.1 49.9 -4.6 478 476 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.920 110.4 46.8 -58.8 -47.8 51.6 52.8 -5.1 479 477 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 3,-0.2 0.929 110.8 52.7 -61.8 -45.4 50.9 53.3 -1.4 480 478 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.862 101.6 60.5 -59.1 -38.6 54.6 53.1 -0.5 481 479 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.946 109.9 42.1 -53.3 -48.2 55.4 55.8 -3.1 482 480 A Y H X S+ 0 0 6 -4,-1.4 4,-2.4 -3,-0.2 -2,-0.2 0.887 109.1 58.0 -69.3 -38.1 53.1 58.2 -1.2 483 481 A E H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.937 111.5 42.8 -53.8 -43.8 54.5 57.0 2.2 484 482 A H H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.869 108.8 57.2 -76.3 -34.3 57.9 58.1 1.1 485 483 A K H X S+ 0 0 4 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.940 108.6 48.4 -54.2 -49.0 56.8 61.3 -0.5 486 484 A I H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.890 110.7 50.6 -59.9 -44.5 55.3 62.3 2.9 487 485 A F H X S+ 0 0 3 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.936 110.5 48.6 -57.5 -49.9 58.6 61.3 4.6 488 486 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.925 110.2 52.3 -62.8 -43.2 60.7 63.4 2.3 489 487 A Q H X S+ 0 0 3 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.913 109.6 48.3 -58.3 -46.0 58.4 66.4 2.7 490 488 A G H <>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 4,-0.4 0.894 110.8 50.9 -64.1 -37.2 58.6 66.3 6.5 491 489 A V H ><5S+ 0 0 17 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.944 110.1 49.0 -64.6 -48.6 62.4 66.0 6.4 492 490 A L H 3<5S+ 0 0 4 -4,-2.7 -487,-0.5 1,-0.3 -1,-0.2 0.882 114.1 46.4 -61.8 -33.9 62.7 69.1 4.1 493 491 A W T 3<5S- 0 0 5 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.424 109.5-126.5 -82.0 -4.6 60.3 71.0 6.4 494 492 A D T < 5 + 0 0 32 -3,-1.4 -138,-2.0 -4,-0.4 -137,-0.2 0.850 65.0 130.8 59.5 39.2 62.3 69.9 9.5 495 493 A I < - 0 0 9 -5,-2.3 2,-0.8 -140,-0.3 -1,-0.2 -0.716 67.1-104.4-112.8 168.5 59.2 68.5 11.2 496 494 A N > - 0 0 9 -142,-0.4 3,-0.6 -2,-0.2 -142,-0.1 -0.857 30.2-176.4 -94.6 103.8 58.3 65.3 12.9 497 495 A S T 3 S+ 0 0 3 -2,-0.8 -1,-0.1 1,-0.2 -146,-0.1 0.518 74.4 62.0 -70.8 -6.5 56.0 63.4 10.5 498 496 A Y T 3 S+ 0 0 17 -418,-0.2 -1,-0.2 -148,-0.1 2,-0.2 0.437 87.2 69.9-115.6 -0.8 55.5 60.6 12.9 499 497 A D < - 0 0 11 -3,-0.6 -417,-0.0 -150,-0.2 3,-0.0 -0.483 51.8-164.8-102.2 175.4 53.7 62.1 16.0 500 498 A Q > + 0 0 55 -2,-0.2 3,-1.0 2,-0.0 4,-0.2 -0.247 26.4 151.4-158.9 63.8 50.1 63.4 16.3 501 499 A W G > + 0 0 118 1,-0.2 3,-1.5 2,-0.1 4,-0.4 0.693 59.7 79.8 -73.3 -19.8 49.8 65.4 19.5 502 500 A G G 3 S+ 0 0 76 1,-0.3 4,-0.4 2,-0.1 3,-0.3 0.697 85.0 59.6 -65.1 -20.9 47.1 67.7 18.0 503 501 A V G <> S+ 0 0 61 -3,-1.0 4,-1.1 1,-0.2 -1,-0.3 0.615 84.7 81.1 -82.3 -14.0 44.3 65.1 18.6 504 502 A E H <> S+ 0 0 86 -3,-1.5 4,-1.9 1,-0.2 3,-0.2 0.866 84.2 56.5 -62.0 -41.1 44.9 64.9 22.4 505 503 A L H > S+ 0 0 103 -4,-0.4 4,-2.9 -3,-0.3 5,-0.3 0.933 104.1 52.5 -62.6 -45.9 42.9 68.0 23.4 506 504 A G H > S+ 0 0 50 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.842 107.1 53.2 -57.1 -35.9 39.7 66.9 21.7 507 505 A K H X S+ 0 0 121 -4,-1.1 4,-1.6 -3,-0.2 -1,-0.2 0.922 111.7 45.2 -65.5 -46.2 39.8 63.6 23.6 508 506 A K H X S+ 0 0 109 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.909 113.7 48.3 -62.5 -46.6 40.1 65.4 26.9 509 507 A L H X S+ 0 0 83 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.851 106.6 58.7 -65.9 -30.8 37.4 67.9 26.1 510 508 A G H X S+ 0 0 28 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.908 104.9 49.7 -64.3 -39.8 35.1 65.1 25.0 511 509 A K H X S+ 0 0 149 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.933 111.9 47.8 -65.5 -41.2 35.4 63.4 28.4 512 510 A N H X S+ 0 0 69 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.880 111.3 50.9 -65.7 -41.2 34.5 66.7 30.2 513 511 A I H X S+ 0 0 53 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.897 106.9 53.8 -65.0 -37.9 31.6 67.3 27.8 514 512 A L H X S+ 0 0 79 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.925 109.7 48.4 -62.0 -43.3 30.2 63.8 28.5 515 513 A K H X S+ 0 0 119 -4,-2.0 4,-0.9 1,-0.2 3,-0.3 0.900 112.2 48.8 -59.0 -43.7 30.4 64.7 32.2 516 514 A A H < S+ 0 0 2 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.873 108.2 54.2 -64.8 -41.4 28.6 68.0 31.6 517 515 A X H < S+ 0 0 62 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.744 112.9 43.7 -61.5 -29.0 25.9 66.3 29.5 518 516 A N H < S+ 0 0 140 -4,-1.2 -1,-0.2 -3,-0.3 2,-0.2 0.602 126.3 24.4 -92.9 -12.4 25.1 63.9 32.4 519 517 A D >< - 0 0 76 -4,-0.9 3,-1.8 -3,-0.4 6,-0.4 -0.699 53.2-172.7-160.5 96.4 25.2 66.4 35.2 520 518 A D T 3 S+ 0 0 110 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.480 89.5 63.6 -71.1 -4.7 24.4 70.1 34.7 521 519 A S T 3 S+ 0 0 85 4,-0.1 -1,-0.3 5,-0.0 2,-0.1 0.259 84.2 111.6 -94.7 7.5 25.4 70.8 38.4 522 520 A S S <> S- 0 0 11 -3,-1.8 4,-2.1 -6,-0.2 5,-0.2 -0.411 80.1-122.4 -80.9 157.7 29.0 69.6 37.6 523 521 A D H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.891 115.2 60.7 -59.1 -41.1 32.1 71.8 37.6 524 522 A E H > S+ 0 0 61 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.909 105.4 45.4 -50.2 -49.4 32.5 70.6 34.0 525 523 A Y H >4 S+ 0 0 43 -6,-0.4 3,-1.1 1,-0.2 -2,-0.2 0.929 112.5 50.2 -65.1 -45.5 29.1 72.1 33.0 526 524 A Q H 3< S+ 0 0 100 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.818 109.5 53.0 -62.2 -30.4 29.8 75.4 34.8 527 525 A N H 3< S+ 0 0 135 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.539 85.2 110.2 -85.4 -8.6 33.2 75.8 33.1 528 526 A L S << S- 0 0 26 -3,-1.1 2,-0.1 -4,-0.6 -3,-0.0 -0.302 75.5-111.9 -59.7 148.5 31.9 75.3 29.5 529 527 A D > - 0 0 90 1,-0.1 4,-2.1 4,-0.0 5,-0.1 -0.460 38.0-109.0 -65.3 158.5 31.9 78.2 27.0 530 528 A D H > S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.737 114.1 60.4 -75.6 -18.4 28.3 79.1 26.3 531 529 A S H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.975 109.7 42.6 -69.9 -49.0 28.3 77.7 22.7 532 530 A T H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.927 114.4 52.9 -58.4 -45.5 29.1 74.2 23.9 533 531 A R H X S+ 0 0 42 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.922 110.3 45.4 -57.6 -46.5 26.6 74.7 26.8 534 532 A Q H X S+ 0 0 84 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.806 109.5 55.5 -73.0 -26.6 23.7 75.7 24.5 535 533 A L H X S+ 0 0 114 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.922 109.3 47.5 -66.6 -43.2 24.5 72.9 22.1 536 534 A I H X S+ 0 0 10 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.913 112.0 50.4 -62.1 -42.5 24.2 70.4 24.9 537 535 A A H X S+ 0 0 22 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.889 107.8 53.1 -63.5 -38.8 20.9 72.1 26.0 538 536 A K H X S+ 0 0 144 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.825 109.4 49.0 -67.0 -33.3 19.5 71.9 22.4 539 537 A V H < S+ 0 0 93 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.916 109.4 52.3 -69.9 -41.4 20.2 68.2 22.3 540 538 A K H < S+ 0 0 111 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.670 112.2 45.1 -64.5 -26.3 18.5 67.6 25.7 541 539 A N H < 0 0 121 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.910 360.0 360.0 -90.0 -48.6 15.3 69.4 24.8 542 540 A K < 0 0 241 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.1 0.603 360.0 360.0 -11.7 360.0 14.6 67.9 21.3