==== 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 TRANSFERASE 28-JUN-07 2QFT . COMPND 2 MOLECULE: 3-PHOSPHOSHIKIMATE 1-CARBOXYVINYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.SCHONBRUNN,M.L.HEALY-FRIED . 427 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 328 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 13.6 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 41 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 0 0 1 3 2 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 2 0 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 PARALLEL BRIDGES PER LADDER . 1 1 3 7 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 5 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 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 0 181 0, 0.0 2,-0.1 0, 0.0 403,-0.0 0.000 360.0 360.0 360.0 117.7 81.0 -0.9 35.0 2 2 A E + 0 0 114 402,-0.0 403,-2.6 2,-0.0 2,-0.3 -0.415 360.0 168.9 -78.3 158.6 80.9 2.4 36.8 3 3 A S E -A 404 0A 64 401,-0.3 2,-0.3 402,-0.2 401,-0.2 -0.979 22.4-149.9-161.7 162.5 79.1 2.7 40.1 4 4 A L E -A 403 0A 45 399,-2.0 399,-3.2 -2,-0.3 2,-0.5 -0.994 11.1-143.8-139.5 147.1 78.7 5.0 43.0 5 5 A T E -A 402 0A 74 -2,-0.3 2,-0.5 397,-0.2 397,-0.2 -0.944 10.3-150.0-114.5 128.0 78.0 4.3 46.6 6 6 A L E -A 401 0A 27 395,-3.0 395,-1.5 -2,-0.5 3,-0.1 -0.866 12.6-140.0 -98.2 126.7 75.8 6.5 48.7 7 7 A Q - 0 0 134 -2,-0.5 392,-0.1 393,-0.2 388,-0.0 -0.434 42.4 -76.2 -78.4 155.6 76.5 6.8 52.4 8 8 A P - 0 0 57 0, 0.0 2,-0.6 0, 0.0 388,-0.2 -0.260 44.9-142.4 -53.1 137.8 73.6 6.9 54.9 9 9 A I - 0 0 15 386,-2.8 417,-0.1 388,-0.3 3,-0.1 -0.929 9.8-164.3-107.2 115.7 71.9 10.3 54.9 10 10 A A - 0 0 59 415,-0.7 2,-0.3 -2,-0.6 416,-0.2 0.821 69.1 -12.5 -71.5 -31.1 70.8 11.3 58.4 11 11 A R E -C 425 0B 83 414,-1.3 414,-3.3 2,-0.1 2,-0.4 -0.978 58.6-139.9-164.7 151.8 68.5 14.1 57.3 12 12 A V E +C 424 0B 0 244,-1.7 246,-0.5 -2,-0.3 2,-0.3 -0.977 30.7 148.9-122.6 145.3 67.6 16.2 54.3 13 13 A D + 0 0 59 410,-2.1 2,-0.3 -2,-0.4 247,-0.2 -0.908 26.9 64.9-169.6 140.0 66.9 19.9 54.2 14 14 A G E -d 260 0C 22 245,-2.3 247,-2.5 -2,-0.3 2,-0.4 -0.943 68.1 -63.0 144.4-164.0 67.3 22.7 51.8 15 15 A T E -d 261 0C 72 -2,-0.3 2,-0.4 245,-0.2 247,-0.2 -0.987 29.9-164.2-131.8 136.1 66.4 24.2 48.5 16 16 A I E -d 262 0C 0 245,-2.8 247,-2.8 -2,-0.4 2,-0.8 -0.983 13.6-147.2-121.5 128.2 66.9 22.8 45.0 17 17 A N E -d 263 0C 111 -2,-0.4 247,-0.1 245,-0.2 245,-0.1 -0.861 37.2-125.1 -93.5 112.1 66.5 25.0 41.8 18 18 A L - 0 0 8 245,-2.2 2,-0.1 -2,-0.8 3,-0.1 -0.143 8.2-118.8 -65.2 150.2 65.2 22.5 39.3 19 19 A P - 0 0 29 0, 0.0 223,-2.9 0, 0.0 26,-0.2 -0.424 53.9 -78.8 -76.4 162.1 66.7 21.6 36.0 20 20 A G B -G 241 0D 2 24,-0.3 2,-0.3 221,-0.3 221,-0.3 -0.182 51.9 -91.3 -64.9 156.3 64.2 22.3 33.1 21 21 A S > - 0 0 0 219,-2.8 4,-2.5 22,-0.2 24,-0.4 -0.508 25.1-153.2 -68.5 126.2 61.3 20.1 32.1 22 22 A K H > S+ 0 0 14 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.925 96.1 51.1 -63.5 -44.9 62.2 17.5 29.5 23 23 A S H > S+ 0 0 9 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.910 115.3 40.2 -60.2 -47.2 58.6 17.3 28.3 24 24 A V H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.921 113.1 57.2 -69.3 -41.5 58.3 21.1 27.9 25 25 A S H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.920 107.9 43.5 -56.6 -50.1 61.8 21.4 26.4 26 26 A N H X S+ 0 0 3 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.842 115.2 48.4 -71.7 -29.6 61.4 19.0 23.6 27 27 A R H X S+ 0 0 10 -4,-1.3 4,-2.8 -5,-0.2 5,-0.3 0.936 112.3 49.7 -70.1 -45.3 58.0 20.3 22.6 28 28 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.876 110.4 50.5 -62.5 -37.1 59.2 23.9 22.7 29 29 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.937 112.9 44.3 -66.2 -45.6 62.2 23.1 20.6 30 30 A L H X S+ 0 0 1 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.944 116.4 46.4 -65.3 -45.5 60.2 21.4 17.8 31 31 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.898 111.9 51.4 -64.5 -38.9 57.5 24.1 17.8 32 32 A A H < S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.3 46,-0.2 0.895 109.6 50.9 -63.4 -38.1 60.2 26.9 17.8 33 33 A A H < S+ 0 0 0 -4,-2.1 45,-3.1 1,-0.2 46,-0.2 0.874 114.4 43.0 -66.8 -36.5 61.9 25.1 14.8 34 34 A L H < S+ 0 0 4 -4,-2.0 46,-1.9 43,-0.2 197,-0.3 0.773 102.5 89.6 -79.2 -27.5 58.6 24.9 12.9 35 35 A A S < S- 0 0 0 -4,-2.1 44,-2.5 44,-0.2 2,-0.4 -0.056 80.0-111.9 -70.2 167.6 57.5 28.5 13.8 36 36 A H B S+h 232 0E 74 195,-1.9 197,-2.8 42,-0.2 2,-0.1 -0.849 80.9 24.8 -97.3 135.6 58.1 31.8 12.1 37 37 A G S S- 0 0 45 -2,-0.4 40,-2.2 40,-0.3 2,-0.5 -0.324 96.5 -57.8 102.9 175.1 60.3 34.1 14.0 38 38 A K E -I 76 0F 102 38,-0.2 2,-0.4 -2,-0.1 197,-0.3 -0.842 45.7-162.2-101.4 126.1 63.1 33.8 16.6 39 39 A T E -I 75 0F 0 36,-2.3 36,-2.9 -2,-0.5 2,-0.6 -0.901 5.7-156.9-108.4 135.6 62.3 32.1 19.9 40 40 A V E -Ij 74 236F 6 195,-2.6 197,-3.0 -2,-0.4 2,-0.4 -0.954 11.6-166.2-111.9 114.5 64.4 32.5 23.0 41 41 A L E -Ij 73 237F 0 32,-3.2 32,-2.5 -2,-0.6 2,-0.3 -0.856 4.6-169.5 -99.6 131.7 64.0 29.6 25.4 42 42 A T E + j 0 238F 39 195,-2.5 197,-2.9 -2,-0.4 30,-0.2 -0.901 67.4 25.2-120.9 155.1 65.3 30.0 28.9 43 43 A N S S+ 0 0 51 28,-0.4 29,-0.2 -2,-0.3 -22,-0.2 0.746 81.2 169.6 64.3 26.4 65.7 27.3 31.6 44 44 A L - 0 0 1 27,-2.8 -24,-0.3 -3,-0.2 2,-0.3 -0.390 38.5-108.8 -63.9 143.8 65.9 24.7 28.8 45 45 A L - 0 0 5 -24,-0.4 2,-0.7 -26,-0.2 -1,-0.1 -0.612 20.3-151.5 -77.8 134.7 67.0 21.3 30.1 46 46 A D + 0 0 60 -2,-0.3 2,-0.3 366,-0.1 25,-0.1 -0.936 50.5 116.8-104.1 105.1 70.5 20.1 29.2 47 47 A S S > S- 0 0 0 -2,-0.7 4,-2.9 366,-0.1 3,-0.3 -0.951 79.3 -88.6-158.2 170.7 70.2 16.3 29.2 48 48 A D H > S+ 0 0 38 362,-2.9 4,-2.5 -2,-0.3 5,-0.2 0.920 122.0 53.3 -55.4 -47.4 70.5 13.4 26.7 49 49 A D H > S+ 0 0 1 362,-1.9 4,-1.0 361,-0.2 -1,-0.2 0.861 114.8 40.7 -59.8 -35.7 66.9 13.6 25.6 50 50 A V H > S+ 0 0 0 -3,-0.3 4,-2.7 361,-0.3 -1,-0.2 0.889 111.0 57.5 -79.2 -38.2 67.1 17.3 24.8 51 51 A R H X S+ 0 0 86 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.891 104.7 52.4 -59.1 -38.2 70.5 17.0 23.2 52 52 A H H X S+ 0 0 16 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.894 109.7 48.3 -66.5 -37.2 69.2 14.4 20.7 53 53 A M H X S+ 0 0 0 -4,-1.0 4,-2.4 -5,-0.2 -2,-0.2 0.929 112.2 49.7 -65.4 -43.8 66.4 16.8 19.7 54 54 A L H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.923 110.9 49.3 -60.6 -44.2 69.0 19.7 19.3 55 55 A N H X S+ 0 0 85 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.869 110.0 51.8 -64.0 -35.2 71.2 17.4 17.2 56 56 A A H X S+ 0 0 3 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.921 109.0 49.2 -67.5 -42.7 68.2 16.5 15.0 57 57 A L H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 4,-0.4 0.916 110.3 52.0 -63.3 -41.3 67.3 20.1 14.5 58 58 A T H ><5S+ 0 0 76 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.937 109.9 48.6 -58.5 -46.4 71.0 20.8 13.6 59 59 A A H 3<5S+ 0 0 50 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.814 107.8 55.2 -65.1 -29.3 70.9 17.9 11.0 60 60 A L T 3<5S- 0 0 16 -4,-1.9 23,-0.5 -5,-0.1 -1,-0.3 0.467 123.4-104.2 -82.8 -2.3 67.7 19.2 9.5 61 61 A G T < 5 + 0 0 61 -3,-1.5 2,-0.3 -4,-0.4 -3,-0.2 0.585 67.5 149.9 94.0 9.1 69.2 22.6 8.9 62 62 A V < - 0 0 12 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.3 -0.590 38.9-137.4 -77.7 137.1 67.7 24.7 11.7 63 63 A S E +K 76 0F 74 13,-0.5 13,-2.9 -2,-0.3 2,-0.3 -0.817 38.2 140.4 -98.1 132.4 69.9 27.5 13.0 64 64 A Y E -K 75 0F 44 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.983 34.7-138.5-159.7 164.6 70.2 28.2 16.8 65 65 A T E -K 74 0F 86 9,-1.8 9,-2.2 -2,-0.3 2,-0.4 -0.954 12.3-151.0-129.7 151.8 72.7 29.1 19.5 66 66 A L E -K 73 0F 48 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.942 17.9-120.6-122.8 145.2 73.1 27.9 23.1 67 67 A S > - 0 0 40 5,-2.1 3,-2.0 -2,-0.4 5,-0.0 -0.211 43.8 -90.3 -73.3 171.0 74.4 29.6 26.2 68 68 A A T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.862 130.3 41.8 -52.1 -41.7 77.5 28.3 28.0 69 69 A D T 3 S- 0 0 96 1,-0.0 -1,-0.3 3,-0.0 -23,-0.1 0.375 109.4-123.0 -90.8 7.9 75.3 26.1 30.3 70 70 A R S < S+ 0 0 74 -3,-2.0 -2,-0.1 2,-0.2 3,-0.1 0.669 85.2 108.1 60.7 21.5 73.1 25.0 27.4 71 71 A T + 0 0 42 1,-0.1 -27,-2.8 -25,-0.1 2,-0.5 0.484 66.5 61.7-103.9 -8.4 69.9 26.3 29.2 72 72 A R - 0 0 108 -30,-0.2 -5,-2.1 -29,-0.2 2,-0.4 -0.988 65.9-178.5-118.7 127.3 69.3 29.3 27.0 73 73 A C E -IK 41 66F 0 -32,-2.5 -32,-3.2 -2,-0.5 2,-0.7 -0.986 16.8-161.7-130.7 126.9 68.5 28.7 23.3 74 74 A E E -IK 40 65F 67 -9,-2.2 -9,-1.8 -2,-0.4 2,-0.4 -0.920 20.4-167.0-109.3 108.8 67.9 31.2 20.6 75 75 A I E -IK 39 64F 0 -36,-2.9 -36,-2.3 -2,-0.7 2,-0.9 -0.844 19.0-144.6-104.0 130.5 66.2 29.4 17.7 76 76 A I E -IK 38 63F 86 -13,-2.9 -13,-0.5 -2,-0.4 -38,-0.2 -0.810 32.7-127.9 -90.2 108.1 65.7 30.8 14.2 77 77 A G - 0 0 16 -40,-2.2 -40,-0.3 -2,-0.9 -44,-0.2 -0.249 3.3-140.7 -59.1 143.4 62.3 29.4 13.2 78 78 A N - 0 0 82 -45,-3.1 -42,-0.2 -46,-0.2 -44,-0.2 0.640 30.9-130.6 -77.7 -16.7 62.1 27.6 9.8 79 79 A G S S+ 0 0 27 -44,-2.5 -44,-0.2 -46,-0.2 -43,-0.2 0.914 75.5 3.8 67.0 41.9 58.7 29.1 9.0 80 80 A G S S- 0 0 14 -46,-1.9 -2,-0.2 -47,-0.2 -1,-0.1 -0.801 109.4 -13.2 140.4 177.5 57.1 25.8 8.2 81 81 A P - 0 0 36 0, 0.0 2,-0.2 0, 0.0 25,-0.1 -0.067 66.3-117.1 -47.5 142.3 57.7 22.0 8.0 82 82 A L - 0 0 5 23,-0.1 2,-0.3 27,-0.0 26,-0.1 -0.547 34.4-159.4 -83.4 149.8 61.3 20.8 8.3 83 83 A H + 0 0 90 -23,-0.5 2,-0.3 -2,-0.2 28,-0.1 -0.976 24.8 148.8-140.4 150.1 63.0 19.0 5.4 84 84 A A - 0 0 18 -2,-0.3 28,-1.9 26,-0.2 2,-0.2 -0.938 16.5-166.2-165.3 153.4 65.8 16.6 4.4 85 85 A E > + 0 0 112 -2,-0.3 3,-0.7 26,-0.2 69,-0.0 -0.646 56.7 72.1-131.1-171.3 66.3 13.9 1.8 86 86 A G T 3 S- 0 0 66 1,-0.2 3,-0.1 -2,-0.2 27,-0.1 0.749 117.2 -74.2 70.1 25.8 68.7 11.1 1.0 87 87 A A T 3 - 0 0 35 25,-0.8 26,-0.3 1,-0.2 -1,-0.2 0.869 68.6-160.5 54.2 38.3 67.4 8.9 3.9 88 88 A L E < -l 113 0G 56 24,-1.3 26,-3.1 -3,-0.7 2,-0.6 -0.256 11.2-131.7 -50.3 127.7 69.2 11.2 6.3 89 89 A E E -l 114 0G 125 24,-0.2 2,-0.6 -3,-0.1 26,-0.2 -0.775 19.5-166.9 -94.7 123.9 69.6 9.3 9.6 90 90 A L E -l 115 0G 4 24,-3.1 26,-2.6 -2,-0.6 2,-0.6 -0.938 10.6-151.1-107.3 119.9 68.6 11.0 12.8 91 91 A F E +l 116 0G 98 -2,-0.6 26,-0.2 24,-0.2 -35,-0.1 -0.824 16.0 179.1 -93.6 121.7 69.8 9.2 15.9 92 92 A L > - 0 0 0 24,-2.8 3,-2.6 -2,-0.6 7,-0.2 0.088 22.7-144.7-114.5 24.8 67.5 9.9 18.9 93 93 A G T 3 - 0 0 0 1,-0.3 25,-2.3 -41,-0.1 -1,-0.3 -0.260 67.4 -43.9 52.6-124.1 69.0 7.9 21.7 94 94 A N T 3 S+ 0 0 7 23,-0.2 2,-1.1 26,-0.1 -1,-0.3 -0.120 95.4 137.7-127.8 36.0 66.1 6.5 23.8 95 95 A A X> - 0 0 0 -3,-2.6 4,-2.9 1,-0.2 3,-0.8 -0.689 28.2-179.2 -87.8 95.2 64.1 9.8 23.7 96 96 A G H 3>>S+ 0 0 3 -2,-1.1 4,-2.9 1,-0.2 5,-0.5 0.882 81.2 61.4 -60.3 -38.1 60.5 9.0 23.1 97 97 A T H 3>5S+ 0 0 9 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.820 113.7 36.6 -60.6 -29.3 59.5 12.6 23.2 98 98 A A H <>5S+ 0 0 0 -3,-0.8 4,-2.5 -6,-0.2 5,-0.3 0.886 117.4 49.8 -87.7 -44.9 61.8 13.2 20.2 99 99 A M H X5S+ 0 0 0 -4,-2.9 4,-1.8 -7,-0.2 -2,-0.2 0.941 116.5 40.2 -59.1 -49.4 61.2 9.9 18.4 100 100 A R H X5S+ 0 0 5 -4,-2.9 4,-1.5 -5,-0.2 5,-0.2 0.967 118.3 45.0 -69.1 -48.4 57.4 10.1 18.5 101 101 A S H X< S+ 0 0 0 -4,-1.5 3,-2.0 2,-0.1 -2,-0.2 0.938 116.9 51.1 -77.5 -50.9 54.8 12.7 12.9 105 105 A A H >< S+ 0 0 4 -4,-2.7 3,-1.6 1,-0.3 -2,-0.2 0.883 105.2 55.9 -56.9 -41.2 56.2 16.1 12.1 106 106 A L T 3< S+ 0 0 1 -4,-2.5 -1,-0.3 1,-0.3 49,-0.2 0.417 89.8 76.0 -75.8 3.7 58.6 14.9 9.4 107 107 A C T < S+ 0 0 0 -3,-2.0 50,-2.6 -5,-0.1 2,-0.4 0.471 71.5 108.4 -87.5 -5.5 55.7 13.3 7.6 108 108 A L S < S- 0 0 2 -3,-1.6 2,-0.2 -4,-0.2 50,-0.1 -0.626 89.3 -22.5 -77.0 128.2 54.6 16.8 6.4 109 109 A G S S- 0 0 48 48,-0.5 47,-2.6 -2,-0.4 2,-0.3 -0.479 113.4 -34.4 74.2-145.6 55.3 17.4 2.7 110 110 A S S S+ 0 0 80 45,-0.2 2,-0.3 -2,-0.2 45,-0.2 -0.793 72.2 144.1-109.3 155.3 57.9 15.2 1.1 111 111 A N - 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0 0 27 -2,-0.5 -29,-0.1 23,-0.1 25,-0.1 -0.636 10.2-163.9 -79.6 141.7 71.1 -2.5 38.6 381 381 A T > - 0 0 5 -2,-0.3 3,-2.3 6,-0.0 6,-0.3 0.458 16.3-142.3-113.5 -3.3 69.8 0.5 36.7 382 382 A Y T 3 - 0 0 59 1,-0.3 3,-0.1 5,-0.1 -35,-0.1 0.751 66.5 -67.2 52.9 34.6 68.7 -0.9 33.2 383 383 A N T 3 S+ 0 0 116 1,-0.2 2,-0.5 2,-0.1 -1,-0.3 0.841 105.2 134.3 53.8 35.2 69.9 2.2 31.3 384 384 A D X> - 0 0 0 -3,-2.3 3,-1.8 1,-0.1 4,-1.5 -0.896 51.3-157.3-125.4 103.0 67.1 3.9 33.1 385 385 A H H 3> S+ 0 0 1 -2,-0.5 4,-2.2 23,-0.5 5,-0.2 0.829 95.2 54.2 -40.5 -43.0 67.7 7.3 34.7 386 386 A R H 3> S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.778 99.4 58.6 -73.4 -23.6 64.8 6.8 37.1 387 387 A M H <> S+ 0 0 0 -3,-1.8 4,-2.1 -6,-0.3 -1,-0.2 0.937 110.1 45.8 -66.7 -41.8 66.0 3.5 38.5 388 388 A A H X S+ 0 0 0 -4,-1.5 4,-1.1 -7,-0.3 -2,-0.2 0.945 117.0 43.4 -63.7 -45.8 69.1 5.3 39.6 389 389 A M H X S+ 0 0 0 -4,-2.2 4,-0.6 1,-0.2 3,-0.2 0.906 113.4 50.1 -70.6 -39.0 67.2 8.2 41.1 390 390 A C H >< S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.933 112.2 47.3 -65.1 -41.8 64.5 6.2 42.8 391 391 A F H >< S+ 0 0 0 -4,-2.1 3,-1.7 -5,-0.3 4,-0.3 0.683 91.9 77.1 -78.4 -11.4 67.0 3.8 44.4 392 392 A S H >< S+ 0 0 0 -4,-1.1 3,-1.6 1,-0.3 -1,-0.3 0.827 84.6 69.3 -61.7 -27.4 69.2 6.7 45.6 393 393 A L G X< S+ 0 0 1 -3,-1.2 3,-2.1 -4,-0.6 -1,-0.3 0.691 77.1 78.1 -65.6 -18.7 66.4 7.1 48.3 394 394 A V G < S+ 0 0 0 -3,-1.7 5,-0.4 1,-0.3 -1,-0.3 0.836 82.5 67.9 -58.2 -30.5 67.5 3.8 49.9 395 395 A A G < S+ 0 0 0 -3,-1.6 -386,-2.8 -4,-0.3 2,-1.2 0.553 74.5 85.5 -68.1 -7.4 70.4 5.8 51.5 396 396 A L S < S+ 0 0 0 -3,-2.1 -1,-0.2 -388,-0.2 2,-0.2 -0.298 90.3 61.4 -87.2 49.6 67.8 7.7 53.6 397 397 A S S S- 0 0 15 -2,-1.2 -388,-0.3 2,-0.3 -24,-0.0 -0.724 110.5 -77.0-149.7-164.0 68.2 4.8 56.1 398 398 A D S S+ 0 0 160 -2,-0.2 -3,-0.1 -390,-0.1 -2,-0.0 0.485 105.7 74.1 -87.4 -4.0 70.9 3.1 58.1 399 399 A T S S- 0 0 16 -5,-0.4 -2,-0.3 -392,-0.1 -24,-0.1 -0.868 74.4-131.6-116.0 144.3 72.4 1.3 55.1 400 400 A P - 0 0 41 0, 0.0 2,-0.3 0, 0.0 -23,-0.3 -0.302 23.1-151.5 -76.5 171.8 74.5 2.6 52.2 401 401 A V E -A 6 0A 0 -395,-1.5 -395,-3.0 -25,-0.2 2,-0.5 -0.991 6.3-141.1-144.3 144.5 73.5 1.6 48.7 402 402 A T E -Ab 5 378A 11 -25,-2.1 -23,-3.4 -2,-0.3 2,-0.5 -0.944 14.2-158.5-110.3 128.5 75.5 1.1 45.6 403 403 A I E -Ab 4 379A 0 -399,-3.2 -399,-2.0 -2,-0.5 2,-0.2 -0.934 11.5-140.4-108.0 119.7 74.0 2.4 42.3 404 404 A L E S+A 3 0A 21 -25,-2.6 -401,-0.3 -2,-0.5 4,-0.1 -0.512 80.1 4.7 -78.4 149.0 75.4 0.9 39.0 405 405 A D S > S+ 0 0 42 -403,-2.6 3,-2.2 -2,-0.2 -1,-0.2 0.885 71.6 179.5 45.8 54.9 75.9 3.1 36.0 406 406 A P G > S+ 0 0 9 0, 0.0 3,-1.7 0, 0.0 11,-0.1 0.732 70.5 73.0 -57.2 -24.1 75.0 6.3 37.9 407 407 A K G > S+ 0 0 138 1,-0.3 3,-2.1 2,-0.2 4,-0.1 0.602 72.3 85.6 -68.1 -9.3 75.6 8.4 34.7 408 408 A C G X S+ 0 0 16 -3,-2.2 3,-1.5 1,-0.3 -23,-0.5 0.712 70.9 77.5 -65.0 -14.5 72.4 7.0 33.3 409 409 A T G X> S+ 0 0 3 -3,-1.7 4,-3.0 1,-0.3 3,-1.6 0.728 72.0 84.5 -65.0 -18.1 70.6 9.8 35.2 410 410 A A G <4 + 0 0 20 -3,-2.1 -362,-2.9 1,-0.3 -1,-0.3 0.607 64.2 84.3 -59.5 -14.0 71.9 12.1 32.3 411 411 A K G <4 S- 0 0 12 -3,-1.5 -362,-1.9 -364,-0.2 -361,-0.3 0.912 125.2 -12.0 -55.7 -38.8 68.8 11.1 30.2 412 412 A T T <4 S+ 0 0 0 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.2 0.463 144.3 32.9-136.2 -9.2 66.9 13.8 32.1 413 413 A F >< + 0 0 4 -4,-3.0 3,-1.9 -5,-0.1 -2,-0.2 -0.482 51.2 172.7-157.8 74.0 69.1 15.0 35.0 414 414 A P T 3 S+ 0 0 56 0, 0.0 3,-0.3 0, 0.0 -4,-0.2 0.841 84.8 48.3 -53.1 -38.4 72.9 14.9 34.6 415 415 A D T 3> S+ 0 0 109 1,-0.2 4,-2.2 -6,-0.1 3,-0.3 0.221 74.9 121.5 -92.7 18.9 73.5 16.6 38.0 416 416 A Y H <> S+ 0 0 0 -3,-1.9 4,-2.5 1,-0.2 5,-0.2 0.878 71.7 46.2 -48.9 -53.9 71.2 14.5 40.0 417 417 A F H > S+ 0 0 32 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.861 111.7 49.8 -65.1 -34.7 73.7 13.1 42.6 418 418 A E H > S+ 0 0 90 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.894 112.2 50.5 -69.3 -34.7 75.3 16.4 43.3 419 419 A Q H X S+ 0 0 19 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.912 109.7 49.1 -67.8 -40.7 71.8 17.9 43.8 420 420 A L H >X S+ 0 0 2 -4,-2.5 4,-0.7 -5,-0.2 3,-0.6 0.922 110.5 52.1 -62.7 -41.9 70.8 15.1 46.2 421 421 A A H >< S+ 0 0 59 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.880 99.0 65.5 -61.2 -35.7 74.1 15.8 48.1 422 422 A R H 3< S+ 0 0 136 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.849 110.6 34.9 -55.5 -39.1 73.2 19.5 48.4 423 423 A I H << S+ 0 0 0 -4,-1.1 -410,-2.1 -3,-0.6 2,-0.4 0.444 94.1 107.6 -97.0 0.4 70.2 18.7 50.6 424 424 A S E << -C 12 0B 31 -3,-1.0 2,-0.3 -4,-0.7 -412,-0.2 -0.664 51.5-170.5 -81.6 126.6 71.9 15.8 52.4 425 425 A Q E -C 11 0B 66 -414,-3.3 -414,-1.3 -2,-0.4 -415,-0.7 -0.883 27.8-153.7-121.1 151.8 72.8 16.7 56.0 426 426 A A 0 0 99 -2,-0.3 -1,-0.1 -416,-0.2 -414,-0.1 0.733 360.0 360.0 -92.2 -23.9 74.8 14.9 58.6 427 427 A A 0 0 106 -416,-0.1 -2,-0.1 -417,-0.0 -1,-0.0 0.644 360.0 360.0-124.0 360.0 73.1 16.5 61.6