==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUN-06 2HJP . COMPND 2 MOLECULE: PHOSPHONOPYRUVATE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VARIOVORAX SP.; . AUTHOR C.C.H.CHEN,O.HERZBERG . 283 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14947.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 1 0 2 0 1 1 2 1 1 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 4 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 M 0 0 161 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.8 48.4 38.4 17.5 2 2 A T > - 0 0 71 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.276 360.0-104.5 -75.0 166.7 46.4 37.8 20.7 3 3 A K H > S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.920 121.9 53.9 -61.0 -38.2 48.2 36.2 23.6 4 4 A N H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 109.7 47.4 -63.7 -38.7 46.5 32.9 23.0 5 5 A Q H > S+ 0 0 75 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.921 108.7 55.1 -65.2 -47.1 47.6 32.9 19.4 6 6 A A H X S+ 0 0 31 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.895 110.9 44.3 -52.1 -44.5 51.1 33.8 20.5 7 7 A L H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.935 114.1 48.8 -69.5 -43.9 51.3 30.7 22.8 8 8 A R H X S+ 0 0 38 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.919 110.7 52.4 -61.4 -39.3 49.8 28.4 20.2 9 9 A A H X S+ 0 0 36 -4,-3.3 4,-2.3 2,-0.2 -2,-0.2 0.932 108.6 49.5 -62.2 -45.1 52.3 29.8 17.6 10 10 A A H X S+ 0 0 2 -4,-2.0 4,-0.8 -5,-0.2 5,-0.4 0.943 113.6 47.1 -60.6 -45.1 55.2 29.1 20.0 11 11 A L H < S+ 0 0 19 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.912 116.9 41.2 -64.4 -40.9 53.9 25.5 20.5 12 12 A D H < S+ 0 0 124 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.767 107.4 66.9 -78.0 -23.1 53.3 24.8 16.8 13 13 A S H < S- 0 0 59 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.703 98.9-128.4 -72.7 -19.7 56.6 26.5 15.9 14 14 A G < + 0 0 71 -4,-0.8 -3,-0.1 -3,-0.5 -1,-0.1 0.359 65.2 130.6 89.4 -16.0 58.9 24.0 17.4 15 15 A R - 0 0 155 -5,-0.4 2,-0.6 1,-0.1 -1,-0.3 -0.405 67.9-108.3 -68.3 153.5 60.8 26.8 19.3 16 16 A L - 0 0 47 -3,-0.1 2,-0.4 -2,-0.1 209,-0.2 -0.796 34.2-148.6 -87.3 124.9 61.3 26.1 23.1 17 17 A F E -a 225 0A 18 207,-2.9 209,-2.7 -2,-0.6 2,-0.4 -0.771 6.7-153.6 -98.2 130.4 59.0 28.4 25.1 18 18 A T E -a 226 0A 21 -2,-0.4 20,-2.2 207,-0.2 19,-0.7 -0.864 10.7-175.1-107.2 138.1 60.1 29.6 28.6 19 19 A A E -ab 227 38A 0 207,-2.1 209,-2.7 -2,-0.4 2,-0.4 -0.999 9.4-153.7-132.3 134.6 57.7 30.6 31.3 20 20 A M E -ab 228 39A 28 18,-2.2 20,-2.8 -2,-0.4 209,-0.1 -0.868 22.5-110.2-111.5 137.7 58.8 32.0 34.8 21 21 A A E - b 0 40A 0 207,-1.9 2,-0.3 -2,-0.4 20,-0.2 -0.233 34.2-176.1 -58.8 148.7 56.9 31.8 38.0 22 22 A A - 0 0 3 18,-1.6 20,-0.2 207,-0.1 24,-0.2 -0.979 22.8-170.1-148.4 136.5 55.4 35.0 39.5 23 23 A H S S+ 0 0 18 -2,-0.3 -1,-0.1 1,-0.1 18,-0.1 0.385 80.5 13.8-104.6 -3.5 53.6 35.6 42.8 24 24 A N S > S- 0 0 52 1,-0.1 4,-1.8 45,-0.0 5,-0.1 -0.963 85.0 -97.9-158.2 168.5 52.4 39.1 41.9 25 25 A P H > S+ 0 0 31 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.816 118.5 57.2 -61.9 -33.7 52.1 41.5 38.8 26 26 A L H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.953 108.8 44.4 -63.1 -50.2 55.3 43.3 39.6 27 27 A V H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.901 112.7 53.1 -60.6 -39.1 57.3 40.0 39.5 28 28 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.915 107.5 52.0 -62.2 -42.3 55.5 39.0 36.3 29 29 A K H X S+ 0 0 51 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.918 108.6 50.2 -60.3 -39.4 56.5 42.4 34.8 30 30 A L H X S+ 0 0 80 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.905 108.7 51.8 -67.0 -38.1 60.1 41.7 35.7 31 31 A A H X>S+ 0 0 6 -4,-2.3 5,-2.1 2,-0.2 4,-0.9 0.921 110.3 49.5 -61.1 -42.8 59.9 38.3 34.1 32 32 A E H ><5S+ 0 0 54 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.933 112.4 47.1 -59.6 -47.0 58.5 39.9 30.9 33 33 A Q H 3<5S+ 0 0 126 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.822 105.5 58.5 -64.9 -33.2 61.3 42.4 30.9 34 34 A A H 3<5S- 0 0 76 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.673 122.1-107.1 -71.4 -16.1 64.0 39.8 31.5 35 35 A G T <<5 + 0 0 59 -3,-1.0 -3,-0.2 -4,-0.9 -2,-0.1 0.607 62.1 155.6 104.8 11.5 62.8 38.2 28.3 36 36 A F < - 0 0 52 -5,-2.1 -1,-0.2 1,-0.1 -17,-0.1 -0.407 46.3-127.8 -70.8 155.2 60.9 35.0 29.3 37 37 A G S S- 0 0 23 -19,-0.7 2,-0.3 1,-0.1 -18,-0.2 0.845 79.3 -9.1 -69.8 -39.0 58.3 33.8 26.9 38 38 A G E -b 19 0A 0 -20,-2.2 -18,-2.2 38,-0.2 2,-0.4 -0.934 69.1-101.1-153.0 175.0 55.4 33.6 29.3 39 39 A I E -bc 20 78A 0 38,-2.6 40,-2.9 -2,-0.3 2,-0.7 -0.839 22.1-144.7-103.4 139.7 54.4 33.8 33.0 40 40 A W E -bc 21 79A 10 -20,-2.8 2,-2.2 -2,-0.4 -18,-1.6 -0.936 8.6-150.8-104.8 112.6 53.7 30.7 35.2 41 41 A G E - c 0 80A 0 38,-3.3 40,-1.5 -2,-0.7 -20,-0.1 -0.447 27.9-161.0 -85.4 67.2 50.9 31.6 37.6 42 42 A S > - 0 0 2 -2,-2.2 4,-2.0 -20,-0.2 5,-0.2 -0.211 25.9-158.2 -53.5 124.0 52.3 29.2 40.2 43 43 A G H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.841 97.9 54.7 -72.0 -29.8 50.0 27.9 43.0 44 44 A F H > S+ 0 0 85 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.955 110.5 45.2 -67.4 -48.6 53.1 27.1 45.0 45 45 A E H > S+ 0 0 0 184,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.927 114.9 46.0 -61.8 -45.2 54.4 30.6 44.7 46 46 A L H X S+ 0 0 2 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.947 115.9 45.4 -68.5 -42.9 51.1 32.3 45.5 47 47 A S H ><>S+ 0 0 3 -4,-2.4 5,-2.0 1,-0.2 3,-0.6 0.917 112.3 52.8 -64.8 -37.6 50.4 30.1 48.5 48 48 A A H ><5S+ 0 0 36 -4,-2.8 3,-1.9 -5,-0.3 -1,-0.2 0.933 104.4 55.4 -62.4 -39.4 54.0 30.5 49.7 49 49 A S H 3<5S+ 0 0 54 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.800 109.8 47.5 -65.6 -19.4 53.6 34.3 49.5 50 50 A Y T <<5S- 0 0 128 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.352 114.1-121.7 -97.0 0.3 50.5 33.8 51.8 51 51 A A T < 5S+ 0 0 94 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.916 73.6 119.7 58.0 40.6 52.6 31.7 54.1 52 52 A V S - 0 0 84 0, 0.0 2,-1.7 0, 0.0 4,-0.6 -0.287 30.9-115.9 -65.5 154.3 51.0 25.2 52.3 54 54 A D T 4 S+ 0 0 74 1,-0.2 -10,-0.1 2,-0.1 -11,-0.0 -0.613 83.4 111.6 -84.4 70.2 50.5 24.4 48.6 55 55 A A T 4 S- 0 0 56 -2,-1.7 -1,-0.2 -11,-0.0 61,-0.1 -0.322 103.5 -80.5-141.6 47.6 47.8 21.8 49.6 56 56 A N T 4 S+ 0 0 63 1,-0.1 -2,-0.1 59,-0.1 4,-0.1 0.824 99.7 120.1 55.6 35.5 44.7 23.4 48.2 57 57 A I < + 0 0 101 -4,-0.6 -3,-0.1 2,-0.1 -1,-0.1 0.859 47.1 85.7 -93.6 -39.0 44.4 25.6 51.2 58 58 A L S S- 0 0 36 -5,-0.4 -11,-0.1 1,-0.1 5,-0.0 -0.356 93.9-101.7 -63.4 135.0 44.6 28.9 49.4 59 59 A S > - 0 0 60 1,-0.1 4,-1.5 2,-0.0 5,-0.1 -0.244 18.8-133.5 -55.4 142.3 41.2 30.1 48.2 60 60 A M H > S+ 0 0 45 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.880 107.3 58.5 -65.1 -36.4 40.6 29.5 44.4 61 61 A S H > S+ 0 0 67 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.891 100.6 55.1 -59.2 -37.9 39.3 33.1 44.2 62 62 A T H > S+ 0 0 44 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.956 113.0 42.6 -63.7 -42.0 42.6 34.5 45.5 63 63 A H H X S+ 0 0 8 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.958 113.2 50.6 -70.3 -44.2 44.4 32.7 42.7 64 64 A L H X S+ 0 0 7 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.924 112.4 47.8 -60.3 -44.7 41.9 33.6 40.0 65 65 A E H X S+ 0 0 86 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.875 109.2 53.0 -66.7 -34.6 42.1 37.3 40.9 66 66 A M H X S+ 0 0 35 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.861 107.8 52.3 -64.9 -36.6 45.9 37.2 41.0 67 67 A M H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.922 109.0 50.1 -65.8 -42.9 45.8 35.7 37.4 68 68 A R H X S+ 0 0 92 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.930 111.7 47.2 -55.8 -49.4 43.5 38.6 36.3 69 69 A A H < S+ 0 0 38 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.899 113.8 47.6 -62.2 -43.6 45.8 41.2 37.8 70 70 A I H >X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-1.4 0.946 111.3 50.0 -64.4 -45.8 48.9 39.5 36.2 71 71 A A H 3< S+ 0 0 8 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.842 108.0 54.6 -64.2 -27.9 47.3 39.2 32.8 72 72 A S T 3< S+ 0 0 98 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.568 112.9 44.5 -81.3 -7.0 46.3 42.9 32.9 73 73 A T T <4 S+ 0 0 61 -3,-1.4 2,-0.2 -4,-0.4 -2,-0.2 0.780 107.4 55.5-103.6 -37.2 49.9 43.9 33.6 74 74 A V < - 0 0 7 -4,-2.1 -45,-0.1 2,-0.1 4,-0.1 -0.626 58.6-151.0-102.3 164.1 52.0 41.8 31.1 75 75 A S S S+ 0 0 81 -2,-0.2 -1,-0.1 2,-0.1 -4,-0.1 0.452 75.5 83.1-105.9 -3.7 51.8 41.5 27.3 76 76 A I S S- 0 0 28 1,-0.1 -38,-0.2 -70,-0.0 -2,-0.1 -0.613 93.8 -78.5-101.2 160.5 53.1 37.9 27.2 77 77 A P - 0 0 6 0, 0.0 -38,-2.6 0, 0.0 2,-0.5 -0.226 37.5-145.7 -58.4 144.6 51.0 34.7 27.7 78 78 A L E -c 39 0A 0 25,-0.4 27,-3.4 -40,-0.2 28,-1.2 -0.942 4.5-159.3-114.0 127.6 50.1 33.6 31.2 79 79 A I E -cd 40 106A 3 -40,-2.9 -38,-3.3 -2,-0.5 2,-0.4 -0.956 18.9-150.7-105.7 114.2 49.9 29.9 32.0 80 80 A A E -cd 41 107A 0 26,-3.2 28,-1.7 -2,-0.6 2,-0.6 -0.776 8.2-136.5 -95.6 135.7 47.7 29.5 35.1 81 81 A D E + d 0 108A 7 -40,-1.5 28,-0.1 -2,-0.4 3,-0.1 -0.741 23.4 175.5 -82.8 114.5 48.1 26.6 37.6 82 82 A I > - 0 0 0 26,-2.6 3,-3.3 -2,-0.6 4,-0.5 0.077 27.3-147.5-110.8 28.0 44.6 25.3 38.5 83 83 A D T 3 S- 0 0 17 1,-0.3 27,-2.5 25,-0.2 -1,-0.3 -0.234 73.5 -16.1 48.4-119.3 45.8 22.4 40.7 84 84 A T T > S- 0 0 2 25,-0.2 3,-0.5 -3,-0.1 -1,-0.3 0.115 105.1 -89.0-100.3 20.9 43.3 19.6 40.3 85 85 A G T < - 0 0 0 -3,-3.3 10,-0.2 23,-0.2 -2,-0.2 0.554 59.8 -91.5 88.3 7.4 40.6 21.7 38.8 86 86 A F T 3 S- 0 0 48 -4,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.799 99.2 -12.8 55.9 33.2 39.1 22.6 42.2 87 87 A G S < S- 0 0 16 -3,-0.5 -1,-0.1 4,-0.1 2,-0.1 -0.991 103.4 -35.4 145.5-154.5 36.7 19.7 42.1 88 88 A N S > S- 0 0 75 -2,-0.3 4,-2.5 1,-0.0 3,-0.4 -0.223 77.7 -72.7 -94.5-168.7 35.5 17.2 39.5 89 89 A A H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.807 131.9 57.8 -56.8 -29.7 34.7 17.7 35.8 90 90 A V H > S+ 0 0 89 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.958 107.8 45.1 -68.1 -44.6 31.7 19.7 36.6 91 91 A N H >> S+ 0 0 71 -3,-0.4 4,-2.6 1,-0.2 3,-0.6 0.929 110.4 57.1 -61.5 -42.6 33.8 22.2 38.7 92 92 A V H 3X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.930 103.7 52.9 -52.7 -47.1 36.3 22.2 35.8 93 93 A H H 3< S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.841 115.5 39.3 -56.6 -36.0 33.5 23.2 33.4 94 94 A Y H << S+ 0 0 164 -4,-1.3 4,-0.5 -3,-0.6 -1,-0.2 0.775 117.9 48.8 -86.0 -29.2 32.6 26.2 35.5 95 95 A V H >X S+ 0 0 8 -4,-2.6 4,-1.5 -10,-0.2 3,-0.8 0.900 99.6 62.0 -80.6 -42.3 36.1 27.1 36.4 96 96 A V H 3X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.3 5,-0.2 0.902 99.7 52.9 -55.5 -46.1 37.9 27.1 33.0 97 97 A P H 3> S+ 0 0 49 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.832 107.4 55.3 -62.6 -29.2 35.8 29.9 31.4 98 98 A Q H <> S+ 0 0 88 -3,-0.8 4,-1.8 -4,-0.5 -2,-0.2 0.936 109.0 45.0 -68.7 -41.3 36.7 32.1 34.5 99 99 A Y H X>S+ 0 0 1 -4,-1.5 5,-2.1 2,-0.2 4,-0.7 0.928 115.3 48.9 -66.3 -42.5 40.5 31.6 34.0 100 100 A E H ><5S+ 0 0 29 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.965 112.2 47.5 -60.4 -48.8 40.1 32.3 30.3 101 101 A A H 3<5S+ 0 0 79 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.828 104.1 61.8 -63.2 -30.0 38.0 35.4 30.9 102 102 A A H 3<5S- 0 0 7 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.656 125.0-104.3 -68.7 -16.0 40.7 36.5 33.5 103 103 A G T <<5 + 0 0 28 -3,-1.7 -25,-0.4 -4,-0.7 -3,-0.2 0.541 69.3 148.6 106.4 5.3 43.1 36.5 30.5 104 104 A A < - 0 0 1 -5,-2.1 -1,-0.3 1,-0.1 -25,-0.2 -0.480 36.9-155.0 -66.0 144.5 45.1 33.3 31.1 105 105 A S S S+ 0 0 0 -27,-3.4 40,-2.8 1,-0.2 2,-0.3 0.609 74.4 8.4 -97.7 -10.0 46.3 31.7 27.8 106 106 A A E -de 79 145A 0 -28,-1.2 -26,-3.2 38,-0.2 2,-0.3 -0.971 59.9-147.6-160.2 161.1 46.5 28.2 29.4 107 107 A I E -de 80 146A 0 38,-1.7 40,-2.5 -2,-0.3 2,-0.4 -0.927 9.6-149.3-133.1 150.8 45.7 26.2 32.4 108 108 A V E -de 81 147A 2 -28,-1.7 -26,-2.6 -2,-0.3 2,-0.4 -0.999 18.2-178.5-120.3 125.7 47.7 23.2 33.9 109 109 A M E - e 0 148A 0 38,-2.2 40,-3.0 -2,-0.4 2,-0.2 -0.993 12.4-148.4-130.4 129.3 45.5 20.6 35.7 110 110 A E E - e 0 149A 13 -27,-2.5 40,-0.2 -2,-0.4 38,-0.0 -0.649 18.0-125.7-101.1 159.3 47.1 17.5 37.4 111 111 A D + 0 0 0 38,-1.7 12,-2.7 -2,-0.2 17,-0.1 0.133 63.3 128.0 -93.2 24.2 45.7 14.1 37.9 112 112 A K B -I 122 0B 80 10,-0.2 10,-0.3 -29,-0.1 2,-0.1 -0.429 66.6-109.5 -71.4 153.8 46.2 13.8 41.7 113 113 A T - 0 0 33 8,-1.9 -1,-0.1 7,-0.1 3,-0.1 -0.453 43.3-111.9 -77.5 162.1 43.0 12.9 43.6 114 114 A F S S+ 0 0 85 1,-0.2 2,-0.2 -2,-0.1 -58,-0.0 -0.955 88.0 26.6-154.8 133.5 41.6 15.7 45.6 115 115 A P S S- 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -59,-0.1 0.589 99.0-106.1 -77.9 167.8 41.3 16.2 48.5 116 116 A K - 0 0 195 -2,-0.2 2,-0.2 -61,-0.1 -2,-0.1 -0.225 35.9-128.8 -57.6 140.8 44.2 14.1 49.8 117 117 A D 0 0 115 1,-0.1 -1,-0.1 3,-0.1 -4,-0.0 -0.602 360.0 360.0 -94.2 155.7 43.3 10.9 51.5 118 118 A T 0 0 188 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.076 360.0 360.0 -56.1 360.0 44.4 9.6 54.8 119 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 120 126 A Q 0 0 217 0, 0.0 -3,-0.1 0, 0.0 -7,-0.1 0.000 360.0 360.0 360.0 -12.3 44.9 5.5 45.1 121 127 A E + 0 0 126 34,-0.1 -8,-1.9 -9,-0.1 2,-0.3 0.764 360.0 45.9 -70.1 -30.9 47.1 8.6 44.8 122 128 A L B S-I 112 0B 17 -10,-0.3 -10,-0.2 33,-0.1 3,-0.1 -0.776 90.8-106.5-111.0 158.7 45.9 9.6 41.3 123 129 A V - 0 0 11 -12,-2.7 -10,-0.1 -2,-0.3 -1,-0.1 -0.350 53.1 -78.5 -76.9 167.0 42.3 9.7 40.0 124 130 A R > - 0 0 140 1,-0.1 4,-2.6 -4,-0.1 5,-0.2 -0.390 39.3-119.9 -65.1 144.6 41.1 7.1 37.5 125 131 A I H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.900 113.9 47.7 -52.4 -48.5 42.3 7.6 33.9 126 132 A E H > S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.861 108.9 54.6 -65.5 -36.1 38.8 7.8 32.6 127 133 A E H > S+ 0 0 64 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.951 111.2 44.7 -64.3 -43.4 37.8 10.3 35.3 128 134 A F H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.890 108.1 57.2 -68.2 -34.8 40.7 12.6 34.3 129 135 A Q H X S+ 0 0 42 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.912 106.0 51.9 -57.2 -41.5 39.9 12.2 30.7 130 136 A G H X S+ 0 0 32 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.881 108.9 50.0 -60.8 -42.1 36.5 13.5 31.6 131 137 A K H X S+ 0 0 5 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.916 112.4 45.5 -63.0 -42.4 38.0 16.5 33.3 132 138 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.931 112.9 50.4 -68.0 -43.9 40.3 17.4 30.4 133 139 A A H X S+ 0 0 41 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.893 109.9 51.8 -61.8 -38.7 37.4 17.0 27.9 134 140 A A H X S+ 0 0 15 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.886 110.2 49.8 -62.2 -39.0 35.3 19.3 30.2 135 141 A A H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.929 113.2 43.7 -67.1 -47.0 38.1 21.8 30.1 136 142 A T H < S+ 0 0 31 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.824 114.5 50.8 -68.1 -30.7 38.4 21.8 26.3 137 143 A A H < S+ 0 0 73 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.869 110.9 50.6 -69.1 -38.2 34.6 21.8 25.9 138 144 A A H < S+ 0 0 16 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.759 87.0 97.5 -74.6 -24.9 34.4 24.9 28.3 139 145 A R < - 0 0 51 -4,-1.4 3,-0.1 1,-0.1 -43,-0.0 -0.367 55.5-160.6 -68.1 145.1 37.0 27.1 26.6 140 146 A A S S+ 0 0 88 1,-0.2 2,-0.6 -43,-0.1 -1,-0.1 0.881 77.6 56.2 -90.0 -50.6 35.7 29.7 24.2 141 147 A D S > S- 0 0 52 1,-0.1 3,-1.8 2,-0.0 -1,-0.2 -0.759 74.7-148.0 -86.6 120.0 38.7 30.5 22.2 142 148 A R T 3 S+ 0 0 217 -2,-0.6 -1,-0.1 1,-0.3 -3,-0.1 0.739 95.7 65.6 -59.2 -21.2 40.1 27.3 20.6 143 149 A D T 3 S+ 0 0 50 2,-0.1 -1,-0.3 -3,-0.0 -135,-0.1 0.694 74.6 105.2 -72.7 -20.5 43.7 28.8 20.9 144 150 A F S < S- 0 0 0 -3,-1.8 2,-0.4 1,-0.1 -38,-0.2 -0.434 73.8-127.1 -60.3 138.5 43.5 28.7 24.7 145 151 A V E -e 106 0A 0 -40,-2.8 -38,-1.7 -2,-0.1 2,-0.6 -0.766 17.9-159.1-104.4 130.3 45.7 25.8 25.8 146 152 A V E -e 107 0A 0 -2,-0.4 29,-3.2 27,-0.2 30,-1.0 -0.906 12.8-169.3-109.9 117.8 44.8 22.9 28.1 147 153 A I E -ef 108 176A 4 -40,-2.5 -38,-2.2 -2,-0.6 2,-0.5 -0.895 8.5-152.4-109.5 124.6 47.8 21.2 29.7 148 154 A A E -ef 109 177A 0 28,-2.2 30,-2.6 -2,-0.5 2,-0.6 -0.851 8.6-149.0 -99.4 129.1 47.4 17.9 31.5 149 155 A R E -ef 110 178A 23 -40,-3.0 -38,-1.7 -2,-0.5 2,-0.6 -0.833 5.6-150.5-101.8 123.7 49.9 17.2 34.2 150 156 A V E + f 0 179A 0 28,-2.6 30,-1.7 -2,-0.6 3,-0.3 -0.857 16.7 177.9 -97.9 116.6 50.8 13.6 34.8 151 157 A E > + 0 0 5 -2,-0.6 4,-2.9 1,-0.2 5,-0.3 0.369 51.3 106.6 -95.4 -2.5 51.8 12.8 38.5 152 158 A A T 4>S+ 0 0 0 2,-0.2 5,-3.0 1,-0.2 6,-0.7 0.806 78.2 51.0 -52.0 -36.7 52.3 9.0 37.9 153 159 A L T >45S+ 0 0 9 -3,-0.3 3,-1.6 27,-0.2 5,-0.2 0.979 114.9 43.9 -64.9 -49.2 56.2 9.2 38.1 154 160 A I T 345S+ 0 0 53 26,-0.4 -2,-0.2 1,-0.3 -1,-0.2 0.883 110.6 54.6 -60.0 -40.2 55.9 11.2 41.4 155 161 A A T 3<5S- 0 0 18 -4,-2.9 -1,-0.3 3,-0.1 -2,-0.2 0.442 116.1-118.0 -75.6 -0.4 53.2 8.8 42.7 156 162 A G T < 5S+ 0 0 61 -3,-1.6 -3,-0.2 -5,-0.3 -2,-0.1 0.762 74.4 132.5 69.6 29.6 55.6 6.0 42.0 157 163 A L < - 0 0 80 -5,-3.0 4,-0.4 1,-0.2 -4,-0.2 0.555 64.1-117.8 -90.2 -5.4 53.4 4.2 39.5 158 164 A G > - 0 0 35 -6,-0.7 4,-1.6 -5,-0.2 -1,-0.2 -0.115 24.6 -74.3 96.0 165.1 56.2 3.8 37.0 159 165 A Q H > S+ 0 0 52 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.892 122.1 56.9 -67.1 -47.7 57.0 4.9 33.4 160 166 A Q H > S+ 0 0 162 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 112.3 43.4 -52.3 -47.0 54.5 2.6 31.5 161 167 A E H > S+ 0 0 25 -4,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.867 111.1 54.1 -67.8 -41.0 51.6 4.1 33.5 162 168 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.945 113.7 43.0 -60.1 -46.8 52.9 7.7 33.2 163 169 A V H X S+ 0 0 16 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.897 111.8 53.4 -67.5 -37.7 53.0 7.2 29.4 164 170 A R H X S+ 0 0 114 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.919 112.1 45.7 -60.6 -43.7 49.6 5.5 29.4 165 171 A R H X S+ 0 0 19 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.934 109.9 53.0 -66.2 -46.4 48.1 8.4 31.2 166 172 A G H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.928 111.3 47.1 -53.3 -46.1 49.7 11.0 29.0 167 173 A Q H X S+ 0 0 86 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.885 110.7 51.5 -65.8 -37.3 48.3 9.3 25.9 168 174 A A H X S+ 0 0 10 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.894 111.4 48.0 -66.0 -39.5 44.9 9.0 27.4 169 175 A Y H <>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 4,-0.4 0.864 110.5 49.8 -69.8 -39.9 44.9 12.7 28.2 170 176 A E H ><5S+ 0 0 39 -4,-2.3 3,-1.2 -5,-0.2 -1,-0.2 0.911 109.6 53.0 -64.3 -37.3 46.1 13.7 24.8 171 177 A E H 3<5S+ 0 0 154 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.875 106.8 53.4 -66.0 -29.9 43.3 11.5 23.4 172 178 A A T 3<5S- 0 0 20 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.534 135.0 -85.0 -81.7 -5.8 40.8 13.5 25.7 173 179 A G T < 5S+ 0 0 26 -3,-1.2 -27,-0.2 -4,-0.4 -3,-0.2 0.438 70.2 156.0 120.8 -3.8 42.0 16.8 24.2 174 180 A A < - 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0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.423 57.8-105.0 -65.3 151.8 67.0 49.5 43.9 262 268 A S > - 0 0 48 1,-0.1 4,-1.4 -3,-0.1 3,-0.2 -0.314 16.0-114.8 -77.5 162.1 65.9 53.2 44.4 263 269 A V H > S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.908 119.2 58.4 -60.0 -42.0 62.4 54.4 45.2 264 270 A K H > S+ 0 0 142 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.890 101.2 54.7 -55.3 -36.3 62.4 56.1 41.8 265 271 A E H > S+ 0 0 92 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.883 109.0 47.2 -65.1 -39.0 63.1 52.7 40.1 266 272 A I H X S+ 0 0 78 -4,-1.4 4,-1.8 -3,-0.3 -2,-0.2 0.924 108.3 55.5 -68.3 -41.9 60.0 51.2 41.8 267 273 A I H <>S+ 0 0 62 -4,-2.6 5,-1.7 1,-0.2 -2,-0.2 0.884 108.2 48.9 -58.8 -34.7 57.9 54.2 40.8 268 274 A E H ><5S+ 0 0 129 -4,-1.9 3,-1.7 -5,-0.2 5,-0.2 0.900 108.0 53.1 -70.0 -38.6 58.9 53.6 37.2 269 275 A L H 3<5S+ 0 0 42 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.776 101.4 63.5 -67.0 -23.5 58.0 49.9 37.4 270 276 A Q T 3<5S- 0 0 142 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.488 122.0-105.0 -77.8 -4.5 54.6 51.1 38.7 271 277 A G T <>5 + 0 0 23 -3,-1.7 4,-2.5 -4,-0.1 5,-0.2 0.765 64.6 155.4 87.1 26.5 53.8 52.8 35.4 272 278 A D H >< + 0 0 37 -5,-1.7 4,-2.6 1,-0.2 5,-0.2 0.876 69.9 57.3 -52.8 -41.6 54.4 56.4 36.7 273 279 A E H > S+ 0 0 129 -5,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.942 107.8 45.0 -54.2 -54.7 55.1 57.6 33.2 274 280 A R H > S+ 0 0 201 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.949 111.9 53.5 -56.4 -48.5 51.8 56.4 31.8 275 281 A M H X S+ 0 0 93 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.884 106.5 52.0 -58.2 -39.3 50.1 57.9 34.8 276 282 A R H X S+ 0 0 126 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.869 108.6 51.0 -66.1 -32.8 51.7 61.3 34.2 277 283 A A H X S+ 0 0 34 -4,-1.9 4,-2.7 -3,-0.3 5,-0.2 0.956 111.7 48.2 -67.0 -43.5 50.6 61.3 30.6 278 284 A V H X S+ 0 0 73 -4,-2.6 4,-2.6 1,-0.2 5,-0.5 0.941 113.6 45.8 -61.8 -46.7 47.0 60.5 31.8 279 285 A E H X S+ 0 0 93 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.919 112.9 51.6 -61.5 -44.2 47.1 63.3 34.4 280 286 A A H < S+ 0 0 74 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.890 118.6 35.3 -63.1 -36.9 48.6 65.7 31.9 281 287 A R H < S+ 0 0 166 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.747 132.1 21.0 -94.9 -13.2 45.9 65.0 29.3 282 288 A Y H < S+ 0 0 174 -4,-2.6 2,-0.9 -5,-0.2 -3,-0.2 0.575 90.3 93.0-128.7 -13.0 42.8 64.4 31.4 283 289 A L < 0 0 122 -4,-1.9 -1,-0.1 -5,-0.5 -4,-0.0 -0.779 360.0 360.0 -87.9 109.5 43.1 66.0 34.9 284 290 A K 0 0 228 -2,-0.9 -1,-0.2 -3,-0.0 -5,-0.0 0.375 360.0 360.0-132.6 360.0 41.5 69.4 34.5