==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-NOV-00 1G69 . COMPND 2 MOLECULE: THIAMIN PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR D.H.PEAPUS,H.-J.CHIU,N.CAMPOBASSO,J.J.REDDICK,T.P.BEGLEY, . 454 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19795.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 15.2 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 . 21 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.6 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 2 0 5 3 0 2 2 0 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 9 6 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 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 0 0 2 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 10 A H 0 0 99 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 102.2 33.4 30.7 15.8 2 11 A G - 0 0 15 1,-0.2 2,-0.5 93,-0.0 318,-0.2 -0.187 360.0 -41.2-103.2-162.4 36.5 32.5 14.6 3 12 A I - 0 0 32 316,-1.8 2,-0.2 315,-0.1 -1,-0.2 -0.515 67.4-129.6 -66.2 116.3 37.2 35.1 11.9 4 13 A R - 0 0 73 -2,-0.5 111,-0.4 1,-0.1 -1,-0.1 -0.479 27.5-178.1 -73.1 135.7 35.0 34.1 8.9 5 14 A M S S+ 0 0 85 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.227 74.3 37.3-113.0 8.2 36.6 33.8 5.5 6 15 A T S S- 0 0 87 109,-0.2 3,-0.1 3,-0.0 -1,-0.1 -0.973 97.8 -86.3-153.5 156.2 33.3 32.9 3.8 7 16 A R - 0 0 105 -2,-0.3 109,-0.1 1,-0.1 -2,-0.1 -0.369 56.4 -98.4 -64.6 145.6 29.7 33.9 4.1 8 17 A I - 0 0 13 107,-0.3 -1,-0.1 108,-0.1 2,-0.1 -0.357 42.0-110.5 -65.5 145.5 27.8 31.9 6.7 9 18 A S > - 0 0 61 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.439 17.1-121.8 -76.6 153.8 25.8 29.0 5.3 10 19 A R H > S+ 0 0 102 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.913 112.7 53.9 -58.4 -44.8 22.0 29.2 5.4 11 20 A E H > S+ 0 0 145 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.940 111.7 42.0 -56.6 -52.8 21.9 25.9 7.4 12 21 A M H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 112.9 53.5 -63.5 -43.8 24.2 27.2 10.1 13 22 A M H X S+ 0 0 1 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.919 108.3 50.9 -57.7 -43.0 22.5 30.6 10.3 14 23 A K H < S+ 0 0 55 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.864 108.8 51.3 -64.6 -33.5 19.2 28.9 10.8 15 24 A E H >< S+ 0 0 111 -4,-1.7 3,-1.1 1,-0.2 4,-0.2 0.918 108.2 52.1 -68.4 -42.0 20.6 26.8 13.6 16 25 A L H 3< S+ 0 0 17 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.792 101.2 61.2 -64.2 -30.4 22.0 29.8 15.4 17 26 A L T >< S+ 0 0 0 -4,-1.5 3,-0.6 1,-0.2 179,-0.3 0.644 75.0 100.5 -73.5 -14.1 18.7 31.7 15.3 18 27 A S T < S+ 0 0 10 -3,-1.1 178,-2.2 -4,-0.5 2,-0.5 0.842 101.2 6.8 -36.0 -65.0 16.9 29.0 17.4 19 28 A V E 3 S-a 196 0A 0 -3,-0.4 26,-2.0 -4,-0.2 27,-1.3 -0.853 79.6-176.2-128.8 91.9 17.0 30.8 20.7 20 29 A Y E < -ab 197 46A 2 176,-2.7 178,-1.6 -3,-0.6 2,-0.4 -0.782 7.7-162.0 -97.2 96.0 18.3 34.3 20.0 21 30 A F E -ab 198 47A 1 25,-2.0 27,-2.3 -2,-0.9 2,-0.4 -0.626 6.1-171.0 -82.3 131.3 18.7 36.2 23.3 22 31 A I E + b 0 48A 5 176,-2.4 2,-0.3 -2,-0.4 181,-0.2 -0.971 15.6 159.6-121.4 135.6 19.0 40.0 22.9 23 32 A M E - b 0 49A 0 25,-2.2 27,-1.8 -2,-0.4 2,-0.3 -0.976 25.2-175.7-163.8 149.4 19.9 42.2 25.9 24 33 A G > - 0 0 0 -2,-0.3 3,-1.9 25,-0.2 27,-0.2 -0.848 48.3 -99.8-130.9 165.4 21.2 45.5 27.2 25 34 A S G > S+ 0 0 22 -2,-0.3 3,-0.9 1,-0.3 26,-0.1 0.772 120.0 59.1 -60.9 -27.7 21.9 46.5 30.8 26 35 A N G 3 S+ 0 0 62 1,-0.2 -1,-0.3 26,-0.1 30,-0.1 0.354 90.6 72.2 -84.1 5.8 18.6 48.4 31.0 27 36 A N G < S+ 0 0 8 -3,-1.9 2,-0.3 1,-0.1 -1,-0.2 0.398 99.5 42.5 -99.6 1.4 16.6 45.3 30.3 28 37 A T < - 0 0 25 -3,-0.9 176,-0.1 2,-0.1 175,-0.1 -0.987 59.7-146.3-147.0 154.5 17.1 43.6 33.6 29 38 A K S S+ 0 0 209 -2,-0.3 175,-0.1 174,-0.3 -1,-0.1 0.501 85.2 76.1 -94.0 -9.0 17.2 44.5 37.3 30 39 A A S S- 0 0 55 173,-0.3 -2,-0.1 1,-0.1 3,-0.1 -0.214 107.7 -63.7 -91.3-175.8 19.9 41.9 37.9 31 40 A D > - 0 0 93 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.617 49.8-139.0 -72.3 121.0 23.6 42.0 37.1 32 41 A P H > S+ 0 0 27 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.893 97.6 43.2 -46.2 -58.0 23.8 42.3 33.2 33 42 A V H > S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.889 112.0 55.7 -61.6 -37.8 26.7 40.0 32.5 34 43 A T H > S+ 0 0 44 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 106.9 49.6 -60.7 -42.4 25.4 37.5 35.0 35 44 A V H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.922 110.6 50.0 -63.2 -42.9 22.1 37.3 33.2 36 45 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.933 110.4 50.7 -60.7 -44.9 23.8 36.8 29.8 37 46 A Q H X S+ 0 0 100 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.912 111.5 47.5 -58.8 -44.3 25.9 34.0 31.4 38 47 A K H X S+ 0 0 93 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.884 110.3 51.9 -65.6 -39.6 22.8 32.3 32.7 39 48 A A H X>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 4,-1.1 0.900 112.3 46.4 -63.7 -41.2 21.0 32.6 29.4 40 49 A L H <5S+ 0 0 13 -4,-2.4 3,-0.5 3,-0.2 -2,-0.2 0.921 111.4 51.2 -67.1 -43.5 24.0 31.1 27.6 41 50 A K H <5S+ 0 0 137 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.877 107.9 53.8 -60.9 -38.3 24.3 28.3 30.2 42 51 A G H <5S- 0 0 6 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.778 132.4 -86.5 -68.0 -27.8 20.6 27.5 29.7 43 52 A G T <5 + 0 0 8 -4,-1.1 -3,-0.2 -3,-0.5 -2,-0.1 0.575 61.5 164.6 133.3 14.1 21.0 27.2 26.0 44 53 A A < - 0 0 3 -5,-2.2 -24,-0.2 1,-0.2 -1,-0.2 -0.402 22.4-158.6 -59.9 136.1 20.7 30.4 24.1 45 54 A T S S+ 0 0 17 -26,-2.0 2,-0.3 1,-0.2 -25,-0.2 0.565 70.9 15.8 -95.1 -10.8 22.1 29.8 20.6 46 55 A L E -b 20 0A 0 -27,-1.3 -25,-2.0 32,-0.2 2,-0.4 -0.969 65.8-153.8-159.2 147.0 23.0 33.4 19.7 47 56 A Y E -bc 21 80A 0 32,-1.7 34,-2.9 -2,-0.3 2,-0.5 -0.993 1.0-158.3-132.7 137.3 23.3 36.6 21.6 48 57 A Q E -bc 22 81A 5 -27,-2.3 -25,-2.2 -2,-0.4 2,-0.9 -0.962 14.4-141.9-117.4 121.8 22.9 40.2 20.5 49 58 A F E +bc 23 82A 1 32,-3.3 34,-2.5 -2,-0.5 2,-0.5 -0.723 28.7 172.0 -80.6 106.4 24.5 43.1 22.4 50 59 A R + 0 0 35 -27,-1.8 2,-0.6 -2,-0.9 34,-0.1 -0.848 6.2 159.1-124.5 93.3 21.9 45.8 22.3 51 60 A E + 0 0 6 -2,-0.5 2,-0.3 32,-0.2 -27,-0.1 -0.889 25.4 110.9-120.3 97.5 22.9 48.7 24.6 52 61 A K + 0 0 78 -2,-0.6 3,-0.2 6,-0.0 -26,-0.1 -0.969 29.9 66.7-158.2 170.2 21.2 52.0 23.8 53 62 A G S > S- 0 0 57 -2,-0.3 3,-1.3 1,-0.2 -27,-0.0 -0.281 91.3 -58.5 100.7 171.1 18.7 54.6 25.0 54 63 A G T 3 S+ 0 0 86 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 0.709 132.9 48.2 -63.6 -23.2 18.6 57.0 27.9 55 64 A D T 3 S+ 0 0 142 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.411 95.0 98.3 -98.2 2.0 19.0 54.3 30.5 56 65 A A S < S- 0 0 14 -3,-1.3 2,-0.1 1,-0.1 -3,-0.1 -0.392 80.5 -97.7 -89.2 165.7 21.9 52.5 28.9 57 66 A L - 0 0 68 -2,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.436 42.9-166.1 -75.1 154.6 25.6 52.6 29.5 58 67 A T >> + 0 0 108 -2,-0.1 4,-1.2 -6,-0.1 3,-0.9 -0.850 41.3 0.4-136.4 171.6 27.6 54.8 27.2 59 68 A G H 3> S- 0 0 49 -2,-0.3 4,-2.0 1,-0.2 3,-0.3 -0.099 124.3 -8.1 52.7-139.3 31.2 55.4 26.2 60 69 A E H 3> S+ 0 0 143 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.835 134.3 57.8 -60.2 -36.4 34.0 53.4 27.9 61 70 A A H <> S+ 0 0 54 -3,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.906 108.0 47.1 -62.7 -40.5 31.6 51.8 30.3 62 71 A R H X S+ 0 0 40 -4,-1.2 4,-2.4 -3,-0.3 -2,-0.2 0.900 111.5 50.7 -67.4 -40.9 29.5 50.5 27.4 63 72 A I H X S+ 0 0 47 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.923 110.1 49.4 -63.3 -44.2 32.6 49.2 25.6 64 73 A K H X S+ 0 0 40 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.864 110.5 50.3 -64.1 -36.6 33.8 47.3 28.7 65 74 A F H X S+ 0 0 13 -4,-1.8 4,-2.4 -5,-0.2 5,-0.2 0.926 109.1 53.0 -66.1 -41.9 30.3 45.8 29.2 66 75 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.904 106.9 51.9 -58.8 -43.4 30.4 44.7 25.6 67 76 A E H X S+ 0 0 8 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.916 110.6 47.7 -60.9 -43.3 33.8 43.0 26.1 68 77 A K H X S+ 0 0 103 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.889 111.7 48.9 -67.7 -38.3 32.5 41.0 29.1 69 78 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.912 111.9 50.1 -66.8 -39.5 29.4 39.9 27.3 70 79 A Q H X S+ 0 0 11 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.897 108.6 52.5 -64.3 -39.3 31.5 38.8 24.3 71 80 A A H X S+ 0 0 53 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.914 107.8 51.8 -62.2 -42.2 33.8 36.9 26.7 72 81 A A H X S+ 0 0 10 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.902 109.7 49.6 -61.0 -41.6 30.8 35.1 28.1 73 82 A C H X>S+ 0 0 1 -4,-2.1 5,-2.3 1,-0.2 4,-1.0 0.922 108.8 52.2 -64.4 -42.7 29.7 34.2 24.6 74 83 A R H ><5S+ 0 0 80 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.905 107.8 51.9 -60.0 -41.8 33.2 32.9 23.7 75 84 A E H 3<5S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.865 113.8 43.7 -63.2 -35.2 33.1 30.7 26.9 76 85 A A H 3<5S- 0 0 51 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.544 111.1-120.6 -86.8 -8.4 29.8 29.2 25.8 77 86 A G T <<5 + 0 0 50 -4,-1.0 -3,-0.2 -3,-0.6 -4,-0.1 0.767 68.9 134.2 73.5 26.2 30.8 28.8 22.2 78 87 A V < - 0 0 17 -5,-2.3 -1,-0.3 -6,-0.2 -32,-0.2 -0.862 59.7-106.7-110.0 140.2 28.0 31.1 21.0 79 88 A P - 0 0 1 0, 0.0 -32,-1.7 0, 0.0 2,-0.6 -0.363 25.3-137.4 -68.9 147.9 28.3 33.9 18.5 80 89 A F E -c 47 0A 1 -34,-0.1 15,-2.2 -32,-0.1 16,-1.1 -0.922 19.9-170.8-108.9 116.3 28.3 37.6 19.6 81 90 A I E -cd 48 96A 0 -34,-2.9 -32,-3.3 -2,-0.6 2,-0.4 -0.909 11.6-144.6-110.8 135.3 26.2 40.0 17.5 82 91 A V E -cd 49 97A 0 14,-2.4 16,-2.6 -2,-0.4 2,-0.4 -0.817 14.0-131.1-101.0 137.5 26.3 43.7 18.0 83 92 A N E S- d 0 98A 11 -34,-2.5 2,-3.0 -2,-0.4 -32,-0.2 -0.753 72.9 -32.0 -89.3 131.2 23.2 45.9 17.4 84 93 A D S S+ 0 0 39 14,-3.2 2,-1.4 -2,-0.4 20,-0.1 -0.169 105.8 105.4 63.3 -49.4 23.5 49.0 15.2 85 94 A D > + 0 0 42 -2,-3.0 4,-2.2 1,-0.2 5,-0.2 -0.492 37.6 172.1 -70.7 88.1 27.1 49.8 16.1 86 95 A V H > S+ 0 0 37 -2,-1.4 4,-2.3 1,-0.2 5,-0.2 0.914 79.9 52.5 -62.7 -44.0 29.2 48.8 13.1 87 96 A E H > S+ 0 0 137 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.905 110.3 48.0 -59.8 -42.3 32.4 50.4 14.5 88 97 A L H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 109.8 52.9 -65.1 -41.7 32.0 48.5 17.8 89 98 A A H X>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.2 4,-0.6 0.903 113.8 42.7 -61.1 -41.1 31.4 45.2 15.9 90 99 A L H <5S+ 0 0 33 -4,-2.3 142,-2.2 3,-0.2 3,-0.5 0.922 113.2 51.9 -71.2 -43.4 34.6 45.7 13.9 91 100 A N H <5S+ 0 0 51 -4,-2.8 -2,-0.2 140,-0.3 139,-0.2 0.859 116.8 38.3 -61.7 -38.6 36.7 46.9 16.9 92 101 A L H <5S- 0 0 1 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.526 107.7-122.1 -89.4 -7.2 35.7 43.9 19.1 93 102 A K T <5 - 0 0 12 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.945 44.7-173.0 62.9 46.6 35.8 41.4 16.2 94 103 A A < - 0 0 1 -5,-2.8 -13,-0.2 -6,-0.2 -1,-0.1 -0.219 33.1-119.0 -65.1 164.3 32.2 40.5 16.9 95 104 A D S S- 0 0 21 -15,-2.2 22,-2.5 1,-0.2 2,-0.3 0.682 82.9 -19.6 -80.8 -16.7 30.7 37.7 14.9 96 105 A G E -de 81 117A 0 -16,-1.1 -14,-2.4 20,-0.2 2,-0.3 -0.987 54.4-121.2-172.5 179.3 28.1 39.9 13.4 97 106 A I E -de 82 118A 0 20,-2.6 22,-2.5 -2,-0.3 2,-0.5 -0.987 14.1-154.0-138.8 143.5 26.0 43.1 13.3 98 107 A H E -de 83 119A 20 -16,-2.6 -14,-3.2 -2,-0.3 2,-0.3 -0.989 19.7-178.9-121.6 126.6 22.2 43.6 13.4 99 108 A I E - e 0 120A 3 20,-2.8 22,-2.4 -2,-0.5 2,-0.2 -0.816 14.9-140.1-124.6 163.8 20.7 46.7 11.8 100 109 A G - 0 0 15 -2,-0.3 4,-0.1 20,-0.2 22,-0.1 -0.507 32.0-102.2-111.4-178.1 17.3 48.3 11.3 101 110 A Q S S+ 0 0 80 1,-0.2 5,-0.1 -2,-0.2 -1,-0.1 0.899 122.0 47.6 -71.6 -44.1 15.6 50.2 8.5 102 111 A E S S+ 0 0 184 3,-0.0 -1,-0.2 -3,-0.0 3,-0.1 0.719 103.6 78.1 -69.6 -21.9 16.0 53.6 10.1 103 112 A D S S- 0 0 64 1,-0.1 -2,-0.1 3,-0.0 -4,-0.0 0.552 101.3 -61.9 -60.2-138.4 19.7 52.7 10.7 104 113 A A - 0 0 60 -20,-0.1 2,-0.5 1,-0.1 -1,-0.1 0.118 69.3 -58.6 -95.0-149.5 22.0 52.9 7.7 105 114 A N > - 0 0 70 1,-0.1 4,-2.5 -3,-0.1 3,-0.2 -0.875 33.8-147.1-101.5 124.4 22.2 51.1 4.3 106 115 A A H > S+ 0 0 8 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.847 100.2 56.0 -56.6 -37.5 22.5 47.3 4.4 107 116 A K H > S+ 0 0 108 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.917 109.3 46.2 -62.8 -42.4 24.6 47.4 1.2 108 117 A E H > S+ 0 0 138 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.921 113.5 48.6 -66.3 -44.2 27.1 49.7 2.9 109 118 A V H X S+ 0 0 6 -4,-2.5 4,-1.9 1,-0.2 3,-0.2 0.934 108.2 53.5 -62.6 -46.5 27.2 47.7 6.1 110 119 A R H X S+ 0 0 30 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.886 109.6 49.9 -55.5 -38.5 27.7 44.4 4.2 111 120 A A H < S+ 0 0 81 -4,-1.6 3,-0.4 1,-0.2 -1,-0.2 0.856 111.2 48.7 -68.8 -34.6 30.7 46.0 2.4 112 121 A A H < S+ 0 0 39 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.756 112.6 46.3 -77.3 -25.9 32.2 47.3 5.7 113 122 A I H >< S- 0 0 1 -4,-1.9 3,-1.6 1,-0.3 2,-0.3 0.409 85.6-155.2-101.0 2.7 31.9 44.0 7.6 114 123 A G T 3< S- 0 0 26 -4,-0.6 -1,-0.3 -3,-0.4 -109,-0.1 -0.432 72.8 -14.5 63.8-123.1 33.3 41.5 5.0 115 124 A D T 3 S+ 0 0 58 -111,-0.4 -107,-0.3 -2,-0.3 -1,-0.2 0.129 99.4 129.9-102.3 19.8 31.9 38.0 5.7 116 125 A M S < S- 0 0 14 -3,-1.6 -20,-0.2 -6,-0.2 2,-0.2 -0.249 72.6 -84.5 -66.9 160.6 30.6 38.8 9.2 117 126 A I E -e 96 0A 3 -22,-2.5 -20,-2.6 -110,-0.1 2,-0.5 -0.504 46.5-162.3 -70.0 133.9 27.0 37.8 10.0 118 127 A L E -e 97 0A 0 -22,-0.2 19,-3.0 -2,-0.2 20,-1.4 -0.973 8.7-176.0-124.8 120.9 24.5 40.5 9.0 119 128 A G E -ef 98 138A 0 -22,-2.5 -20,-2.8 -2,-0.5 2,-0.4 -0.913 4.6-166.3-114.1 141.9 21.0 40.7 10.3 120 129 A V E -ef 99 139A 5 18,-1.9 20,-1.9 -2,-0.4 2,-0.3 -0.993 19.0-129.9-131.4 131.6 18.4 43.2 9.1 121 130 A A E - 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0 0 18 -5,-2.0 -1,-0.3 1,-0.1 -2,-0.1 -0.687 22.6-173.5 -80.3 123.1 64.2 47.9 1.5 400 1180 B S + 0 0 36 -2,-0.5 -1,-0.1 -3,-0.1 3,-0.1 0.282 30.5 137.3-103.5 10.6 61.7 49.6 3.9 401 1181 B I - 0 0 5 1,-0.1 -34,-0.1 -7,-0.1 -35,-0.1 -0.221 68.4 -92.9 -57.1 143.0 59.8 46.6 5.3 402 1182 B P - 0 0 6 0, 0.0 -34,-2.1 0, 0.0 2,-0.4 -0.395 49.8-162.9 -59.8 134.0 59.1 46.8 9.0 403 1183 B I E -o 368 0B 0 -36,-0.2 20,-3.0 18,-0.2 21,-0.5 -0.968 16.5-175.4-126.2 136.5 61.9 45.0 10.9 404 1184 B V E -op 369 424B 2 -36,-2.1 -34,-2.6 -2,-0.4 2,-0.2 -0.996 19.7-139.0-128.0 134.4 62.2 43.7 14.4 405 1185 B G E -op 370 425B 0 19,-2.0 21,-2.4 -2,-0.4 2,-0.3 -0.644 22.0-175.9 -90.5 152.4 65.4 42.2 15.8 406 1186 B I E + p 0 426B 56 -36,-2.1 -33,-2.1 -2,-0.2 21,-0.1 -0.997 32.5 74.8-148.5 148.7 65.4 39.1 18.0 407 1187 B G S S- 0 0 8 19,-0.5 -33,-1.8 -2,-0.3 -31,-0.1 0.516 100.8 -9.8 114.7 103.2 67.9 37.0 20.0 408 1188 B G S S+ 0 0 23 1,-0.2 2,-0.4 -35,-0.1 5,-0.1 0.729 81.9 164.5 58.0 26.2 69.6 37.8 23.3 409 1189 B I + 0 0 5 17,-0.3 21,-0.3 -35,-0.1 2,-0.2 -0.616 8.0 172.6 -81.9 130.4 68.4 41.4 23.3 410 1190 B T > - 0 0 52 -2,-0.4 4,-0.8 17,-0.1 3,-0.4 -0.736 50.3 -98.7-125.2 173.7 68.7 43.2 26.6 411 1191 B I T 4 S+ 0 0 47 -2,-0.2 4,-0.4 1,-0.2 3,-0.2 0.818 123.5 55.1 -64.6 -27.5 68.1 46.8 27.7 412 1192 B D T 4 S+ 0 0 155 1,-0.2 -1,-0.2 2,-0.1 -3,-0.1 0.789 117.2 30.2 -77.1 -30.3 71.9 47.2 27.5 413 1193 B N T 4 S+ 0 0 36 -3,-0.4 4,-0.5 1,-0.1 -1,-0.2 0.253 94.1 93.3-114.6 14.2 72.3 46.1 23.9 414 1194 B A S >X S+ 0 0 0 -4,-0.8 3,-1.3 -3,-0.2 4,-1.2 0.906 71.6 67.0 -72.7 -44.5 69.0 47.1 22.4 415 1195 B A H >> S+ 0 0 7 -4,-0.4 4,-2.7 1,-0.3 3,-0.5 0.871 94.6 56.5 -45.8 -50.2 70.0 50.6 21.1 416 1196 B P H 3> S+ 0 0 52 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.828 101.9 58.0 -54.9 -32.3 72.4 49.3 18.4 417 1197 B V H <4>S+ 0 0 0 -3,-1.3 5,-1.9 -4,-0.5 4,-0.4 0.919 110.7 41.6 -64.7 -42.6 69.6 47.2 16.9 418 1198 B I H X<5S+ 0 0 1 -4,-1.2 3,-1.5 -3,-0.5 -1,-0.2 0.908 112.2 54.6 -70.4 -42.1 67.5 50.4 16.4 419 1199 B Q H 3<5S+ 0 0 135 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.848 101.7 59.3 -60.6 -33.4 70.5 52.4 15.2 420 1200 B A T 3<5S- 0 0 14 -4,-2.0 -1,-0.3 -5,-0.2 -25,-0.2 0.666 132.4 -89.5 -69.4 -16.5 71.2 49.7 12.5 421 1201 B G T < 5S+ 0 0 11 -3,-1.5 -18,-0.2 -4,-0.4 -3,-0.2 0.404 78.8 140.8 124.3 -2.6 67.7 50.4 11.1 422 1202 B A < - 0 0 0 -5,-1.9 -1,-0.3 -6,-0.2 -18,-0.2 -0.342 47.9-141.0 -69.9 155.5 65.3 48.1 13.0 423 1203 B D S S- 0 0 9 -20,-3.0 2,-0.3 1,-0.2 -19,-0.2 0.429 75.6 -21.2 -95.9 -0.5 61.9 49.4 14.0 424 1204 B G E - p 0 404B 0 -21,-0.5 -19,-2.0 -7,-0.1 2,-0.4 -0.975 62.3-106.7 175.1 176.3 61.9 47.6 17.3 425 1205 B V E -ip 248 405B 0 -178,-2.1 -176,-2.8 -179,-0.4 2,-0.4 -0.956 20.8-155.6-127.1 146.3 63.4 44.8 19.4 426 1206 B S E +ip 249 406B 2 -21,-2.4 -19,-0.5 -2,-0.4 -17,-0.3 -0.928 20.0 169.3-120.2 147.2 61.7 41.6 20.5 427 1207 B M E -i 250 0B 6 -178,-1.6 -176,-2.3 -2,-0.4 -17,-0.1 -0.993 26.4-176.5-155.8 158.7 62.7 39.6 23.6 428 1208 B I S >> S+ 0 0 20 -2,-0.3 4,-3.0 -178,-0.2 3,-1.6 0.581 85.1 31.8-117.6 -80.2 61.8 36.7 25.9 429 1209 B S H 3> S+ 0 0 42 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.787 105.3 69.6 -55.1 -37.6 64.1 36.2 28.9 430 1210 B A H 34 S+ 0 0 26 -21,-0.3 -1,-0.3 1,-0.2 -19,-0.1 0.798 122.1 17.3 -53.7 -28.0 65.1 39.9 29.4 431 1211 B I H X4 S+ 0 0 0 -3,-1.6 3,-1.2 2,-0.1 -2,-0.2 0.773 123.4 55.9-109.7 -45.6 61.5 40.5 30.5 432 1212 B S H 3< S+ 0 0 2 -4,-3.0 -173,-0.3 1,-0.3 -174,-0.3 0.780 118.3 35.1 -62.4 -28.0 60.1 37.0 31.3 433 1213 B Q T 3< S+ 0 0 123 -4,-2.1 -1,-0.3 -5,-0.3 2,-0.1 0.250 90.9 118.1-110.9 12.3 62.9 36.3 33.8 434 1214 B A < - 0 0 32 -3,-1.2 4,-0.1 1,-0.1 -3,-0.1 -0.466 70.0-129.3 -76.5 149.7 63.4 39.8 35.2 435 1215 B E S S+ 0 0 209 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.0 0.863 109.0 29.8 -65.9 -32.7 62.7 40.3 38.9 436 1216 B D S > S+ 0 0 81 1,-0.1 4,-2.4 2,-0.0 -1,-0.3 -0.787 70.3 178.1-128.5 84.4 60.5 43.2 37.9 437 1217 B P H > S+ 0 0 10 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.842 81.6 56.1 -56.1 -36.8 58.9 42.5 34.4 438 1218 B E H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.958 111.2 41.4 -61.8 -51.5 56.9 45.7 34.5 439 1219 B S H > S+ 0 0 32 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.873 112.1 56.6 -65.1 -35.1 60.0 47.9 35.0 440 1220 B A H X S+ 0 0 7 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.941 109.7 45.3 -60.7 -45.8 62.0 45.8 32.5 441 1221 B A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.908 112.6 51.2 -63.4 -42.4 59.3 46.6 29.9 442 1222 B R H X S+ 0 0 94 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.919 109.4 49.8 -61.8 -44.7 59.3 50.2 30.9 443 1223 B K H X S+ 0 0 110 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.897 111.5 49.3 -61.4 -41.2 63.0 50.5 30.6 444 1224 B F H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.2 5,-0.3 0.952 110.9 50.5 -62.0 -48.4 62.9 48.9 27.1 445 1225 B R H X S+ 0 0 81 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.909 111.6 46.6 -56.7 -46.6 60.1 51.3 26.1 446 1226 B E H X S+ 0 0 111 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.919 114.2 47.7 -63.4 -44.2 62.0 54.4 27.2 447 1227 B E H X S+ 0 0 55 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.928 114.2 45.6 -63.6 -46.7 65.3 53.2 25.5 448 1228 B I H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.916 112.4 50.4 -64.7 -43.5 63.6 52.3 22.2 449 1229 B Q H X S+ 0 0 89 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.924 108.0 54.2 -60.3 -45.0 61.6 55.5 22.0 450 1230 B T H < S+ 0 0 85 -4,-2.2 4,-0.4 1,-0.2 3,-0.2 0.913 113.0 41.7 -56.8 -45.3 64.7 57.6 22.7 451 1231 B Y H < S+ 0 0 86 -4,-1.8 -1,-0.2 1,-0.2 3,-0.2 0.731 108.4 59.0 -78.0 -20.5 66.6 56.0 19.8 452 1232 B K H >< S+ 0 0 46 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.774 102.4 54.4 -78.1 -23.4 63.6 56.0 17.4 453 1233 B T T 3< S+ 0 0 116 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.649 92.0 77.2 -80.6 -15.1 63.4 59.8 17.7 454 1234 B G T 3 0 0 68 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.083 360.0 360.0 -83.8 25.5 67.0 60.1 16.7 455 1235 B R < 0 0 167 -3,-0.6 -36,-0.0 0, 0.0 -3,-0.0 -0.926 360.0 360.0-155.3 360.0 66.3 59.5 13.0