==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 06-MAR-07 2EHH . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR T.S.KUMAREVEL,P.KARTHE,S.KURAMITSU,S.YOKOYAMA,RIKEN . 1174 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41307.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 866 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 152 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.0 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 . 4 0.3 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 . 92 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 453 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 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 4 0 4 0 0 4 7 1 3 12 5 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 8 16 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 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 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 M 0 0 117 0, 0.0 2,-0.8 0, 0.0 179,-0.0 0.000 360.0 360.0 360.0 -23.6 -4.5 4.5 5.0 2 2 A F + 0 0 12 156,-0.1 2,-0.3 199,-0.0 198,-0.1 -0.754 360.0 122.6 -81.5 114.5 -1.3 3.2 6.6 3 3 A Q + 0 0 73 -2,-0.8 198,-0.3 2,-0.1 2,-0.1 -0.927 32.3 38.9-159.4 177.5 0.2 1.2 3.8 4 4 A G E S-a 201 0A 0 196,-2.4 198,-2.3 -2,-0.3 2,-0.7 -0.392 99.8 -8.0 79.4-147.3 3.2 0.7 1.5 5 5 A S E +a 202 0A 0 29,-0.2 31,-2.2 196,-0.2 32,-1.3 -0.838 64.5 175.6 -97.8 108.4 6.8 1.0 2.4 6 6 A I E -ab 203 37A 0 196,-2.4 198,-3.2 -2,-0.7 2,-0.5 -0.946 19.1-143.5-114.5 130.1 7.3 2.3 5.9 7 7 A V E -ab 204 38A 0 30,-2.3 32,-3.0 -2,-0.4 2,-1.4 -0.814 8.9-142.9-100.5 129.8 10.8 2.6 7.5 8 8 A A E - b 0 39A 2 196,-3.4 2,-0.2 -2,-0.5 200,-0.1 -0.762 38.9-143.1 -84.4 94.7 11.5 1.9 11.1 9 9 A L - 0 0 3 30,-2.0 33,-0.5 -2,-1.4 32,-0.3 -0.405 1.1-129.1 -70.4 135.5 14.1 4.6 11.3 10 10 A I - 0 0 2 -2,-0.2 35,-0.3 195,-0.1 34,-0.1 -0.335 22.1-122.2 -72.0 162.5 17.3 4.3 13.4 11 11 A T - 0 0 4 33,-0.5 9,-0.1 31,-0.1 -1,-0.1 -0.927 25.3-137.2-112.8 106.3 18.1 7.2 15.7 12 12 A P - 0 0 0 0, 0.0 7,-2.5 0, 0.0 2,-0.3 -0.334 20.0-161.4 -62.0 140.3 21.6 8.6 14.9 13 13 A F E +I 18 0B 0 250,-0.3 250,-0.4 252,-0.3 2,-0.3 -0.932 15.2 170.2-125.1 149.2 23.8 9.4 17.9 14 14 A K E > S-I 17 0B 67 3,-2.7 3,-1.7 -2,-0.3 251,-0.0 -0.901 72.4 -0.8-159.6 127.3 26.8 11.6 18.2 15 15 A E T 3 S- 0 0 161 -2,-0.3 3,-0.1 1,-0.3 250,-0.0 0.818 128.5 -62.2 62.8 28.3 28.7 12.8 21.3 16 16 A G T 3 S+ 0 0 38 1,-0.3 2,-0.3 250,-0.1 -1,-0.3 0.628 120.5 100.0 72.7 12.8 26.2 10.8 23.3 17 17 A E E < S-I 14 0B 115 -3,-1.7 -3,-2.7 0, 0.0 -1,-0.3 -0.856 88.8 -82.2-126.8 161.3 23.4 13.0 22.0 18 18 A V E -I 13 0B 8 -2,-0.3 2,-1.4 -5,-0.2 -5,-0.3 -0.486 42.2-133.6 -64.0 128.3 20.8 12.6 19.3 19 19 A D > + 0 0 13 -7,-2.5 4,-2.2 -2,-0.2 3,-0.2 -0.672 29.0 177.7 -87.3 86.4 22.5 13.5 16.0 20 20 A Y H > S+ 0 0 57 -2,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.797 75.4 55.6 -62.6 -32.7 19.8 15.8 14.5 21 21 A E H > S+ 0 0 134 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 111.7 44.9 -68.9 -36.6 21.8 16.7 11.3 22 22 A A H > S+ 0 0 11 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.892 112.9 51.0 -70.8 -38.9 22.1 13.0 10.5 23 23 A L H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.923 109.2 52.1 -63.4 -43.5 18.4 12.4 11.4 24 24 A G H X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.913 110.8 46.1 -59.2 -44.0 17.5 15.3 9.1 25 25 A N H X S+ 0 0 116 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.831 108.7 56.6 -68.4 -31.0 19.5 13.8 6.2 26 26 A L H X S+ 0 0 4 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.902 106.8 50.5 -65.4 -40.6 18.0 10.4 6.9 27 27 A I H X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.928 111.3 46.3 -63.9 -45.1 14.6 12.0 6.5 28 28 A E H X S+ 0 0 58 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.883 106.3 61.6 -63.9 -38.0 15.5 13.6 3.1 29 29 A F H < S+ 0 0 49 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.921 109.2 40.9 -53.5 -46.6 17.0 10.3 2.1 30 30 A H H ><>S+ 0 0 0 -4,-1.8 5,-1.4 1,-0.2 3,-0.8 0.824 108.6 59.6 -75.3 -30.4 13.6 8.6 2.4 31 31 A V H ><5S+ 0 0 40 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.942 112.6 38.9 -63.2 -45.3 11.7 11.5 0.8 32 32 A D T 3<5S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.374 111.4 59.8 -89.3 10.0 13.7 11.2 -2.4 33 33 A N T < 5S- 0 0 27 -3,-0.8 -1,-0.2 -4,-0.2 182,-0.2 0.197 113.9-103.3-118.7 15.7 13.8 7.4 -2.4 34 34 A G T < 5 + 0 0 36 -3,-0.8 -29,-0.2 1,-0.2 -3,-0.1 0.443 61.7 156.7 82.8 0.6 10.1 6.7 -2.5 35 35 A T < - 0 0 5 -5,-1.4 -1,-0.2 -6,-0.2 -29,-0.2 -0.374 33.4-151.0 -63.0 135.6 9.4 5.7 1.2 36 36 A D - 0 0 50 -31,-2.2 35,-1.8 1,-0.2 2,-0.3 0.838 69.3 -3.0 -78.0 -34.4 5.8 6.2 2.1 37 37 A A E -bc 6 71A 4 -32,-1.3 -30,-2.3 33,-0.2 2,-0.4 -0.996 58.2-134.3-157.4 157.6 6.3 6.9 5.8 38 38 A I E -bc 7 72A 2 33,-2.6 35,-3.2 -2,-0.3 2,-0.6 -0.959 10.3-154.9-119.6 132.2 8.9 7.1 8.5 39 39 A L E -bc 8 73A 1 -32,-3.0 -30,-2.0 -2,-0.4 3,-0.3 -0.936 18.6-167.9-104.3 117.2 8.4 5.6 12.0 40 40 A V E + c 0 74A 3 33,-2.6 35,-2.6 -2,-0.6 -30,-0.1 -0.827 62.7 19.2-108.6 148.2 10.6 7.4 14.5 41 41 A C S S+ 0 0 2 -32,-0.3 -1,-0.2 -2,-0.3 2,-0.1 0.837 88.4 135.4 67.4 35.0 11.4 6.3 18.1 42 42 A G S >S- 0 0 5 -33,-0.5 5,-1.9 -3,-0.3 3,-0.3 -0.274 77.5 -80.5 -97.0-169.9 10.5 2.7 17.4 43 43 A T T > 5S+ 0 0 5 1,-0.3 3,-1.7 2,-0.2 -2,-0.0 0.910 135.4 50.3 -59.0 -42.9 12.5 -0.4 18.5 44 44 A T T 3 5S+ 0 0 2 1,-0.3 -33,-0.5 2,-0.1 -1,-0.3 0.771 105.4 58.4 -66.8 -24.6 14.8 0.1 15.6 45 45 A G T 3 5S- 0 0 0 -3,-0.3 -1,-0.3 -35,-0.3 -2,-0.2 0.262 116.3-116.3 -88.0 11.6 15.2 3.7 16.7 46 46 A E T X 5 + 0 0 3 -3,-1.7 3,-1.5 1,-0.1 4,-0.4 0.823 53.2 164.0 58.7 37.3 16.5 2.6 20.1 47 47 A S G > < + 0 0 21 -5,-1.9 3,-1.3 1,-0.3 -4,-0.1 0.799 64.8 70.0 -56.0 -31.1 13.5 4.1 22.0 48 48 A P G 3 S+ 0 0 21 0, 0.0 -1,-0.3 0, 0.0 325,-0.2 0.860 107.6 36.6 -56.6 -34.1 14.4 2.0 25.1 49 49 A T G < S+ 0 0 14 -3,-1.5 2,-0.4 218,-0.1 -2,-0.2 0.339 96.6 99.3-100.7 5.6 17.5 4.1 25.6 50 50 A L S < S- 0 0 11 -3,-1.3 2,-0.1 -4,-0.4 -4,-0.0 -0.760 76.7-119.8 -91.5 138.3 16.0 7.5 24.5 51 51 A T > - 0 0 69 -2,-0.4 4,-2.4 1,-0.1 3,-0.5 -0.406 26.5-108.9 -73.7 155.6 14.9 9.8 27.3 52 52 A F H > S+ 0 0 92 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.851 123.0 50.1 -50.9 -37.2 11.2 10.7 27.4 53 53 A E H > S+ 0 0 139 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.837 106.3 52.5 -73.0 -34.8 12.3 14.2 26.3 54 54 A E H > S+ 0 0 17 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.879 106.5 57.0 -67.9 -34.8 14.4 13.0 23.4 55 55 A H H X S+ 0 0 17 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.948 110.5 41.5 -58.7 -51.6 11.3 11.0 22.3 56 56 A E H X S+ 0 0 50 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.866 115.2 51.0 -67.4 -33.5 9.3 14.2 22.1 57 57 A K H X S+ 0 0 93 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.902 111.5 47.0 -70.0 -41.4 12.1 16.2 20.6 58 58 A V H X S+ 0 0 2 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.911 114.2 47.3 -66.6 -42.5 12.7 13.6 17.8 59 59 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.960 114.4 46.2 -63.2 -50.7 9.0 13.3 17.0 60 60 A E H X S+ 0 0 70 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.907 114.9 48.9 -58.2 -42.0 8.6 17.1 16.9 61 61 A F H X S+ 0 0 32 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.910 109.9 50.1 -64.6 -45.6 11.7 17.4 14.8 62 62 A A H X S+ 0 0 2 -4,-2.8 4,-2.9 2,-0.2 5,-0.4 0.903 109.6 51.1 -61.9 -42.7 10.7 14.7 12.3 63 63 A V H X S+ 0 0 28 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.935 112.6 46.6 -61.2 -45.7 7.3 16.2 11.8 64 64 A K H < S+ 0 0 130 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.911 117.2 42.5 -63.3 -44.6 8.9 19.6 11.1 65 65 A R H < S+ 0 0 98 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.958 117.3 43.8 -69.4 -51.1 11.5 18.3 8.7 66 66 A A H >< S- 0 0 0 -4,-2.9 3,-1.7 -5,-0.2 -2,-0.2 0.937 84.6-175.8 -58.2 -46.1 9.3 15.8 6.8 67 67 A A T 3< - 0 0 67 -4,-2.4 -3,-0.1 -5,-0.4 -4,-0.1 0.911 69.2 -50.4 48.0 57.1 6.6 18.6 6.6 68 68 A G T 3 S+ 0 0 75 2,-0.4 -1,-0.3 -5,-0.3 3,-0.1 0.348 113.8 109.6 70.6 -7.1 3.9 16.5 4.9 69 69 A R S < S+ 0 0 118 -3,-1.7 2,-0.3 1,-0.2 -2,-0.1 0.786 94.9 7.9 -69.8 -25.7 6.2 15.2 2.1 70 70 A I S S- 0 0 13 -32,-0.0 -2,-0.4 -4,-0.0 -1,-0.2 -0.977 94.4 -94.0-149.9 150.4 6.0 11.8 3.8 71 71 A K E -c 37 0A 86 -35,-1.8 -33,-2.6 -2,-0.3 2,-0.5 -0.335 32.3-149.0 -68.3 150.0 4.0 10.4 6.7 72 72 A V E -c 38 0A 4 -35,-0.2 25,-2.1 23,-0.2 26,-1.2 -0.984 11.5-172.0-125.0 119.3 5.5 10.5 10.1 73 73 A I E -cd 39 98A 0 -35,-3.2 -33,-2.6 -2,-0.5 2,-0.4 -0.933 13.1-147.5-110.4 132.8 4.5 7.8 12.6 74 74 A A E -cd 40 99A 0 24,-2.7 26,-3.1 -2,-0.4 2,-0.8 -0.861 11.7-133.7-107.8 133.9 5.7 8.2 16.2 75 75 A G E + d 0 100A 6 -35,-2.6 26,-0.2 -2,-0.4 -16,-0.1 -0.742 41.2 156.9 -79.9 115.2 6.6 5.3 18.6 76 76 A T + 0 0 1 24,-2.1 12,-0.3 -2,-0.8 11,-0.2 0.338 32.7 95.9-125.3 5.7 4.7 6.4 21.7 77 77 A G + 0 0 24 23,-0.9 2,-0.2 10,-0.1 26,-0.1 -0.501 30.2 153.1-101.1 169.8 4.1 3.3 23.8 78 78 A G - 0 0 1 24,-0.3 -2,-0.1 -2,-0.2 -1,-0.0 -0.686 62.7 -75.8-158.9-150.5 5.8 1.5 26.7 79 79 A N S S+ 0 0 8 -2,-0.2 2,-0.5 25,-0.2 -2,-0.0 0.156 107.0 80.0-112.9 20.3 4.5 -0.7 29.4 80 80 A A > - 0 0 10 1,-0.1 4,-2.3 483,-0.1 5,-0.2 -0.979 65.1-155.3-127.6 115.4 2.9 2.0 31.5 81 81 A T H > S+ 0 0 3 481,-1.0 4,-2.5 -2,-0.5 5,-0.2 0.923 91.9 52.1 -56.2 -52.5 -0.5 3.3 30.3 82 82 A H H > S+ 0 0 138 480,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.923 113.3 46.1 -51.3 -48.8 -0.4 6.8 31.9 83 83 A E H > S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.900 110.4 52.3 -61.8 -43.9 3.0 7.4 30.2 84 84 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.859 108.0 53.0 -62.8 -35.4 1.8 6.1 26.8 85 85 A V H X S+ 0 0 16 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.957 110.0 47.2 -64.6 -49.5 -1.2 8.4 27.0 86 86 A H H X S+ 0 0 102 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.921 114.5 45.2 -58.6 -47.0 1.0 11.5 27.6 87 87 A L H X S+ 0 0 10 -4,-2.4 4,-2.1 -11,-0.2 -1,-0.2 0.871 113.6 49.8 -66.7 -36.3 3.5 10.6 24.8 88 88 A T H X S+ 0 0 0 -4,-2.1 4,-2.0 -12,-0.3 -1,-0.2 0.881 108.7 53.5 -69.5 -35.4 0.7 9.8 22.4 89 89 A A H X S+ 0 0 34 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.920 108.1 51.1 -62.6 -43.1 -0.9 13.1 23.3 90 90 A H H X S+ 0 0 30 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.927 107.1 51.9 -59.1 -48.5 2.4 14.9 22.5 91 91 A A H <>S+ 0 0 0 -4,-2.1 5,-2.6 1,-0.2 4,-0.3 0.896 111.4 48.2 -55.5 -42.5 2.6 13.2 19.1 92 92 A K H ><5S+ 0 0 87 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.957 110.9 52.5 -61.1 -50.9 -0.9 14.4 18.3 93 93 A E H 3<5S+ 0 0 157 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.849 109.7 46.1 -54.1 -44.1 0.1 17.9 19.5 94 94 A V T 3<5S- 0 0 28 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.353 121.8 -97.4 -87.8 6.9 3.1 18.2 17.3 95 95 A G T < 5 + 0 0 40 -3,-1.5 -3,-0.2 -4,-0.3 -23,-0.2 0.655 59.0 165.0 93.6 15.7 1.5 17.0 14.1 96 96 A A < - 0 0 11 -5,-2.6 -1,-0.2 -6,-0.2 -23,-0.2 -0.393 35.8-139.2 -65.6 144.4 2.4 13.3 13.8 97 97 A D S S- 0 0 58 -25,-2.1 2,-0.3 1,-0.2 -24,-0.2 0.738 77.6 -6.4 -76.6 -23.5 0.3 11.4 11.3 98 98 A G E -d 73 0A 0 -26,-1.2 -24,-2.7 29,-0.1 2,-0.4 -0.986 61.8-125.1-163.7 166.1 -0.0 8.3 13.5 99 99 A A E -de 74 129A 0 29,-2.5 31,-2.9 -2,-0.3 2,-0.7 -0.986 13.0-149.4-125.1 128.6 1.2 6.7 16.7 100 100 A L E -de 75 130A 5 -26,-3.1 -24,-2.1 -2,-0.4 -23,-0.9 -0.872 18.0-169.6 -96.4 116.6 2.7 3.2 17.0 101 101 A V E - e 0 131A 0 29,-2.6 31,-2.0 -2,-0.7 -26,-0.1 -0.916 11.2-144.4-114.6 108.8 1.8 1.8 20.4 102 102 A V E - e 0 132A 8 -2,-0.6 -24,-0.3 29,-0.2 31,-0.2 -0.332 27.4-102.5 -70.5 148.9 3.7 -1.4 21.3 103 103 A V - 0 0 0 29,-2.5 -1,-0.1 1,-0.1 31,-0.1 -0.570 59.7 -86.5 -67.0 132.2 1.9 -4.2 23.3 104 104 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 4,-0.2 -0.150 50.3-147.8 -46.2 125.6 3.2 -3.7 26.9 105 105 A Y + 0 0 28 1,-0.1 2,-2.2 2,-0.1 34,-0.2 -0.587 62.7 5.5 -96.3 158.5 6.5 -5.6 27.4 106 106 A Y S S+ 0 0 9 32,-1.3 -1,-0.1 325,-0.6 327,-0.1 -0.205 114.2 67.2 70.0 -49.3 7.8 -7.3 30.5 107 107 A N S S- 0 0 7 -2,-2.2 -1,-0.2 233,-0.0 -2,-0.1 0.529 86.8-148.4 -83.3 -1.9 4.8 -6.9 32.9 108 108 A K - 0 0 64 30,-0.4 433,-0.2 -4,-0.2 -3,-0.1 0.858 14.8-156.0 39.0 64.3 2.7 -9.3 30.8 109 109 A P - 0 0 4 0, 0.0 455,-0.1 0, 0.0 -1,-0.1 -0.175 20.1-103.4 -63.9 161.6 -0.8 -7.8 31.4 110 110 A T > - 0 0 31 453,-0.3 4,-2.3 431,-0.1 5,-0.2 -0.240 39.3 -98.4 -73.5 171.8 -3.9 -10.0 31.0 111 111 A Q H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.866 129.3 53.8 -62.6 -34.1 -6.0 -9.5 27.8 112 112 A R H > S+ 0 0 130 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.919 108.3 50.6 -64.4 -40.5 -8.3 -7.3 29.8 113 113 A G H 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224 224 A G T <<5S+ 0 0 31 -3,-0.9 2,-1.3 -4,-0.6 885,-0.4 0.574 71.6 135.1 87.5 9.5 -0.8 -8.5 -7.3 225 225 A D >< + 0 0 77 -5,-2.5 4,-1.8 -6,-0.2 -1,-0.2 -0.682 18.4 164.1 -93.0 83.7 2.3 -9.4 -9.4 226 226 A F H > + 0 0 5 -2,-1.3 4,-2.5 881,-0.3 -1,-0.2 0.609 68.9 66.7 -79.1 -9.8 3.9 -12.0 -7.1 227 227 A R H > S+ 0 0 184 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.919 110.3 38.0 -71.4 -42.8 6.2 -13.3 -9.8 228 228 A R H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.871 114.5 55.8 -72.4 -37.6 7.9 -9.9 -9.7 229 229 A A H X S+ 0 0 0 -4,-1.8 4,-3.1 1,-0.2 -2,-0.2 0.936 107.6 48.5 -60.0 -47.0 7.5 -9.8 -5.9 230 230 A R H X S+ 0 0 59 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.872 107.5 56.7 -60.7 -37.5 9.3 -13.2 -5.6 231 231 A E H X S+ 0 0 122 -4,-1.4 4,-1.1 1,-0.2 -1,-0.2 0.934 114.2 37.6 -60.4 -46.0 12.1 -11.8 -7.8 232 232 A I H X S+ 0 0 7 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.897 114.9 55.2 -72.0 -42.3 12.7 -8.9 -5.5 233 233 A H H X S+ 0 0 1 -4,-3.1 4,-0.7 1,-0.2 -2,-0.2 0.942 111.9 42.0 -56.0 -52.5 12.1 -10.9 -2.4 234 234 A Y H < S+ 0 0 30 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.779 112.6 54.2 -70.2 -24.6 14.8 -13.6 -3.3 235 235 A Y H < S+ 0 0 121 -4,-1.1 3,-0.4 -5,-0.3 4,-0.3 0.920 115.4 39.8 -72.0 -41.7 17.2 -10.9 -4.5 236 236 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 3,-0.5 0.474 88.3 98.5 -85.3 -3.9 16.9 -9.1 -1.2 237 237 A H H X S+ 0 0 2 -4,-0.7 4,-2.2 1,-0.2 5,-0.2 0.886 79.9 52.8 -53.9 -45.1 16.9 -12.3 1.0 238 238 A D H > S+ 0 0 75 -3,-0.4 4,-2.2 -4,-0.4 -1,-0.2 0.881 111.7 47.2 -59.4 -38.1 20.6 -12.1 1.8 239 239 A L H > S+ 0 0 0 -3,-0.5 4,-1.8 -4,-0.3 -2,-0.2 0.933 109.1 53.8 -68.1 -45.7 20.1 -8.5 3.0 240 240 A F H < S+ 0 0 6 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.883 113.5 43.2 -56.2 -41.1 17.0 -9.4 5.1 241 241 A K H >< S+ 0 0 83 -4,-2.2 3,-1.9 -5,-0.2 -1,-0.2 0.942 110.5 51.6 -73.7 -47.4 18.9 -12.2 6.9 242 242 A V H >< S+ 0 0 10 -4,-2.2 3,-1.8 1,-0.3 4,-0.3 0.802 97.4 68.2 -61.9 -28.1 22.2 -10.4 7.6 243 243 A L T 3< S+ 0 0 0 -4,-1.8 9,-0.5 1,-0.3 -1,-0.3 0.600 106.8 42.2 -67.5 -7.5 20.3 -7.4 9.2 244 244 A F T 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27.3 -64.6 143.2 -5.6 -34.9 12.7 1132 249 E P T 3> S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 5,-0.4 -0.854 103.1 81.4 -92.9 25.4 -7.0 -37.2 11.3 1133 250 E I H <> S+ 0 0 0 -3,-2.5 4,-1.8 1,-0.2 23,-0.2 0.960 101.5 36.8 -56.9 -51.9 -9.7 -37.5 14.0 1134 251 E P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.925 117.3 49.8 -69.5 -40.2 -11.8 -34.6 12.7 1135 252 E V H > S+ 0 0 0 -9,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.894 112.2 47.5 -66.8 -36.3 -11.3 -35.2 8.9 1136 253 E K H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.909 112.4 50.6 -68.8 -37.1 -12.1 -38.9 9.2 1137 254 E T H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.4 -2,-0.2 0.887 109.2 51.6 -64.5 -37.4 -15.2 -37.9 11.2 1138 255 E A H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.895 108.1 51.2 -65.3 -40.4 -16.1 -35.4 8.5 1139 256 E C H <>S+ 0 0 0 -4,-2.1 5,-3.1 2,-0.2 6,-0.5 0.824 108.7 52.4 -65.8 -31.9 -15.7 -38.2 5.9 1140 257 E W H ><5S+ 0 0 41 -4,-1.7 3,-2.3 4,-0.2 -2,-0.2 0.937 106.1 52.4 -68.4 -46.6 -18.1 -40.3 8.0 1141 258 E M H 3<5S+ 0 0 0 -4,-2.3 35,-2.9 1,-0.3 36,-2.5 0.825 108.0 52.6 -58.0 -31.2 -20.7 -37.6 8.1 1142 259 E L T 3<5S- 0 0 28 -4,-1.5 -1,-0.3 33,-0.3 -2,-0.2 0.434 120.5-114.0 -83.8 -0.2 -20.4 -37.4 4.3 1143 260 E G T < 5S+ 0 0 42 -3,-2.3 -3,-0.2 2,-0.2 -2,-0.1 0.722 83.3 119.7 76.0 23.7 -21.1 -41.1 4.2 1144 261 E M S - 0 0 42 -2,-0.2 3,-2.1 4,-0.1 -218,-0.1 -0.952 52.0 -77.2-112.7 128.3 -7.6 -47.5 15.8 1151 268 E L T 3 S+ 0 0 52 -2,-0.5 -482,-1.0 1,-0.4 -481,-0.5 -0.265 117.3 43.5 -57.1 149.0 -6.4 -46.8 19.4 1152 269 E P T 3 S+ 0 0 0 0, 0.0 -1,-0.4 0, 0.0 -454,-0.3 -0.988 112.1 72.9 -68.7 -1.0 -4.6 -44.7 20.5 1153 270 E L < - 0 0 7 -3,-2.1 2,-0.3 -456,-0.1 -4,-0.1 -0.532 69.0-172.9 -78.3 149.4 -6.8 -42.6 18.2 1154 271 E T - 0 0 18 -2,-0.2 -4,-0.1 -3,-0.1 3,-0.1 -0.882 30.0 -86.3-136.8 165.9 -10.4 -42.1 19.4 1155 272 E E - 0 0 86 -2,-0.3 -22,-0.1 1,-0.1 -454,-0.0 -0.338 59.7 -90.8 -68.9 157.1 -13.6 -40.6 18.1 1156 273 E M - 0 0 10 -23,-0.2 -1,-0.1 1,-0.1 -27,-0.0 -0.161 48.4 -90.9 -63.6 163.4 -14.1 -36.9 18.8 1157 274 E S > - 0 0 45 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.458 40.5-111.2 -71.7 150.3 -15.7 -35.7 21.9 1158 275 E P H > S+ 0 0 104 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.905 117.7 51.6 -50.9 -42.4 -19.5 -35.3 21.5 1159 276 E E H > S+ 0 0 150 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.911 111.3 44.4 -61.7 -46.9 -19.1 -31.5 21.8 1160 277 E N H > S+ 0 0 31 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.870 110.7 55.5 -67.4 -36.3 -16.4 -31.2 19.2 1161 278 E E H X S+ 0 0 20 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.921 107.7 48.9 -61.8 -43.7 -18.2 -33.5 16.8 1162 279 E N H X S+ 0 0 102 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.880 110.0 51.7 -64.4 -36.2 -21.3 -31.3 17.0 1163 280 E K H X S+ 0 0 110 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.886 109.1 51.0 -67.3 -36.3 -19.2 -28.2 16.3 1164 281 E L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 3,-0.3 0.950 108.1 51.5 -64.0 -48.8 -17.7 -30.0 13.3 1165 282 E R H X S+ 0 0 50 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.907 106.7 54.9 -55.0 -43.5 -21.1 -30.8 11.9 1166 283 E E H X S+ 0 0 123 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.884 108.5 48.3 -58.6 -40.0 -22.2 -27.2 12.3 1167 284 E V H X S+ 0 0 34 -4,-1.6 4,-1.0 -3,-0.3 -1,-0.2 0.912 110.4 50.1 -68.7 -42.0 -19.2 -26.1 10.2 1168 285 E L H <>S+ 0 0 0 -4,-2.3 5,-1.7 1,-0.2 3,-0.5 0.882 108.6 52.9 -64.2 -36.8 -19.9 -28.6 7.4 1169 286 E K H ><5S+ 0 0 103 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.871 101.5 60.6 -65.3 -34.9 -23.5 -27.6 7.3 1170 287 E K H 3<5S+ 0 0 147 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.823 104.4 49.2 -60.3 -31.7 -22.4 -24.0 6.8 1171 288 E Y T 3<5S- 0 0 12 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.342 114.7-123.1 -89.0 6.2 -20.6 -25.1 3.7 1172 289 E N T < 5 + 0 0 144 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.890 47.6 173.8 52.9 46.4 -23.9 -26.8 2.6 1173 290 E L < - 0 0 28 -5,-1.7 2,-1.6 1,-0.1 -1,-0.2 -0.596 41.6-108.6 -84.5 144.5 -22.2 -30.2 2.3 1174 291 E P - 0 0 106 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.541 41.8-166.6 -74.5 89.0 -24.4 -33.3 1.6 1175 292 E L + 0 0 49 -2,-1.6 -33,-0.3 1,-0.1 -34,-0.1 -0.615 20.3 175.7 -81.3 134.3 -24.2 -35.1 5.0 1176 293 E K 0 0 71 -35,-2.9 -34,-0.2 -2,-0.3 -1,-0.1 0.611 360.0 360.0-107.6 -22.6 -25.4 -38.7 5.1 1177 294 E N 0 0 85 -36,-2.5 -35,-0.2 -37,-0.1 -36,-0.2 0.246 360.0 360.0-128.4 360.0 -24.5 -39.4 8.7