==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 28-JAN-00 1EE1 . COMPND 2 MOLECULE: NH(3)-DEPENDENT NAD(+) SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR Y.DEVEDJIEV,J.SYMERSKY,R.SINGH,M.JEDRZEJAS,C.BROUILLETTE, . 517 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21790.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 19 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 232 44.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.1 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 2 0 0 4 0 1 3 0 2 0 2 0 0 0 4 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 2 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 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 2 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 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 S > 0 0 102 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 135.6 34.8 77.0 32.9 2 2 A M H > + 0 0 56 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.895 360.0 50.9 -66.5 -43.6 32.7 73.8 33.2 3 3 A Q H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.950 112.0 48.5 -57.9 -50.6 32.1 74.4 37.0 4 4 A E H > S+ 0 0 130 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.865 113.2 47.3 -58.8 -40.1 31.0 77.9 36.2 5 5 A K H X S+ 0 0 73 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.911 111.5 49.2 -70.0 -44.3 28.6 76.7 33.4 6 6 A I H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 6,-0.2 0.896 109.9 54.2 -62.5 -38.0 27.1 73.9 35.5 7 7 A M H <>S+ 0 0 32 -4,-2.4 5,-2.1 -5,-0.2 4,-0.5 0.934 111.0 43.5 -62.1 -46.4 26.6 76.4 38.3 8 8 A R H ><5S+ 0 0 161 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.931 113.8 50.9 -66.9 -41.3 24.6 78.8 36.1 9 9 A E H 3<5S+ 0 0 56 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.817 114.5 42.4 -67.2 -31.1 22.6 76.1 34.4 10 10 A L T 3<5S- 0 0 15 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.439 110.0-125.3 -93.5 -1.2 21.6 74.5 37.7 11 11 A H T < 5 + 0 0 65 -3,-0.9 2,-0.3 -4,-0.5 -3,-0.2 0.784 46.8 169.4 63.4 37.1 20.9 78.0 39.2 12 12 A V < - 0 0 12 -5,-2.1 -1,-0.2 -6,-0.2 172,-0.1 -0.563 26.1-151.2 -84.1 138.2 23.2 77.6 42.2 13 13 A K - 0 0 69 170,-0.5 172,-0.2 -2,-0.3 3,-0.1 -0.884 8.2-148.6-105.0 131.8 24.1 80.5 44.4 14 14 A P S S+ 0 0 81 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.826 89.2 30.4 -69.9 -26.9 27.5 80.1 46.0 15 15 A S S S- 0 0 102 -3,-0.1 2,-0.3 2,-0.0 173,-0.0 -0.995 76.0-172.7-135.4 127.4 26.2 82.1 49.0 16 16 A I - 0 0 32 -2,-0.4 3,-0.1 -3,-0.1 0, 0.0 -0.858 28.1-136.9-121.1 158.6 22.6 82.2 50.2 17 17 A D > - 0 0 95 -2,-0.3 4,-2.4 1,-0.2 3,-0.3 -0.958 24.4-153.1-107.4 105.0 20.6 84.2 52.8 18 18 A P H > S+ 0 0 30 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.872 91.4 50.4 -47.4 -48.7 18.5 81.3 54.3 19 19 A K H > S+ 0 0 124 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.897 112.1 46.5 -60.3 -45.0 15.6 83.5 55.3 20 20 A Q H > S+ 0 0 81 -3,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.893 108.3 56.4 -67.1 -37.7 15.3 85.1 51.9 21 21 A E H X S+ 0 0 6 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.869 108.5 47.4 -60.1 -41.6 15.5 81.7 50.1 22 22 A I H X S+ 0 0 18 -4,-1.8 4,-2.5 -5,-0.2 5,-0.3 0.949 112.9 48.5 -65.3 -46.6 12.5 80.5 52.1 23 23 A E H X S+ 0 0 100 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.924 113.5 47.8 -58.6 -45.7 10.6 83.7 51.3 24 24 A D H X S+ 0 0 49 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.872 114.9 44.4 -60.6 -46.7 11.5 83.4 47.6 25 25 A R H X S+ 0 0 3 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.795 113.7 48.1 -73.8 -32.1 10.5 79.7 47.3 26 26 A V H X S+ 0 0 15 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.901 113.0 50.4 -72.0 -40.9 7.3 80.0 49.3 27 27 A N H X S+ 0 0 67 -4,-2.4 4,-2.9 -5,-0.3 -2,-0.2 0.865 107.7 53.8 -64.7 -36.3 6.5 83.1 47.1 28 28 A F H X S+ 0 0 8 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.940 108.4 48.9 -61.9 -47.7 7.2 81.0 44.0 29 29 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.911 114.5 45.9 -57.9 -43.5 4.8 78.3 45.1 30 30 A K H X S+ 0 0 12 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.918 112.7 49.0 -66.4 -46.7 2.1 80.9 45.8 31 31 A Q H X S+ 0 0 110 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.922 112.0 49.2 -60.5 -43.5 2.6 82.8 42.5 32 32 A Y H X S+ 0 0 12 -4,-2.7 4,-2.1 -5,-0.2 6,-0.3 0.927 110.6 50.1 -62.5 -45.3 2.5 79.5 40.6 33 33 A V H X>S+ 0 0 6 -4,-2.1 4,-1.8 -5,-0.2 5,-1.1 0.931 112.4 47.1 -57.8 -47.8 -0.7 78.4 42.3 34 34 A K H <5S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.903 110.8 51.5 -61.7 -45.1 -2.4 81.8 41.6 35 35 A K H <5S+ 0 0 124 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.877 118.5 36.8 -61.1 -41.2 -1.4 81.8 38.0 36 36 A T H <5S- 0 0 66 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.630 97.9-131.2 -88.5 -17.8 -2.7 78.3 37.3 37 37 A G T <5 + 0 0 61 -4,-1.8 -3,-0.2 -5,-0.2 -4,-0.1 0.721 50.8 160.4 72.2 19.3 -5.8 78.4 39.5 38 38 A A < - 0 0 19 -5,-1.1 -1,-0.2 -6,-0.3 114,-0.2 -0.282 46.8-127.6 -69.5 162.6 -4.7 75.1 40.9 39 39 A K - 0 0 110 112,-2.6 34,-2.0 1,-0.2 2,-0.3 0.507 62.4 -77.2 -91.8 -3.9 -6.2 74.0 44.3 40 40 A G E -a 73 0A 0 111,-0.4 113,-3.0 32,-0.3 2,-0.3 -0.994 59.0 -55.8 147.1-149.2 -2.9 73.3 45.9 41 41 A F E -ab 74 153A 0 32,-1.9 34,-2.6 -2,-0.3 2,-0.4 -0.835 20.7-158.2-136.9 162.2 -0.2 70.6 46.0 42 42 A V E +ab 75 154A 0 111,-1.9 113,-2.2 -2,-0.3 2,-0.3 -0.989 19.1 173.4-138.5 136.6 0.5 66.9 46.6 43 43 A L E -a 76 0A 5 32,-1.9 34,-2.4 -2,-0.4 2,-0.3 -0.963 33.2-120.9-149.8 133.5 3.9 65.5 47.5 44 44 A G E -a 77 0A 14 -2,-0.3 2,-0.6 111,-0.3 34,-0.2 -0.578 27.1-149.2 -72.0 131.3 5.2 62.1 48.5 45 45 A I + 0 0 1 32,-3.0 34,-0.4 -2,-0.3 49,-0.1 -0.929 22.7 171.2-107.7 111.4 6.8 62.3 52.0 46 46 A S - 0 0 54 -2,-0.6 44,-0.3 2,-0.2 -1,-0.1 0.631 52.1-110.0 -92.9 -20.2 9.6 59.8 52.4 47 47 A G S S+ 0 0 0 1,-0.4 2,-0.2 43,-0.2 -2,-0.1 0.403 81.3 122.5 100.3 0.2 11.1 60.9 55.7 48 48 A G S > S- 0 0 18 1,-0.1 4,-1.6 160,-0.1 -1,-0.4 -0.532 77.9-103.0 -92.6 163.0 14.2 62.1 53.9 49 49 A Q H > S+ 0 0 15 153,-0.2 4,-2.3 1,-0.2 5,-0.2 0.844 112.4 52.6 -51.8 -45.2 15.7 65.7 53.9 50 50 A D H > S+ 0 0 26 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.906 111.7 40.5 -65.1 -46.6 14.4 66.8 50.5 51 51 A S H > S+ 0 0 6 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.791 113.4 57.3 -73.5 -25.8 10.7 66.0 50.8 52 52 A T H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.948 112.4 40.7 -66.4 -47.8 10.7 67.2 54.3 53 53 A L H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.952 118.5 44.4 -65.6 -51.2 12.0 70.6 53.2 54 54 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.936 113.6 54.1 -60.0 -41.4 9.8 70.8 50.0 55 55 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.938 107.8 47.3 -58.2 -48.2 6.8 69.6 52.2 56 56 A R H X S+ 0 0 42 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.901 111.1 52.5 -62.9 -37.4 7.3 72.3 54.8 57 57 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.911 108.6 50.1 -64.4 -41.6 7.5 75.0 52.0 58 58 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.869 110.5 49.7 -64.6 -39.2 4.3 73.8 50.4 59 59 A Q H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.907 111.5 48.6 -67.9 -40.4 2.5 73.9 53.8 60 60 A L H X S+ 0 0 44 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.884 111.8 49.5 -66.7 -36.6 3.8 77.4 54.4 61 61 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.946 112.1 48.2 -65.6 -47.0 2.7 78.5 50.9 62 62 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.883 113.0 47.0 -61.4 -42.2 -0.8 77.1 51.3 63 63 A E H X S+ 0 0 73 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.918 111.9 51.3 -68.8 -39.4 -1.2 78.7 54.8 64 64 A S H X S+ 0 0 29 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.899 109.5 50.5 -63.6 -40.4 -0.0 82.0 53.4 65 65 A I H <>S+ 0 0 7 -4,-2.5 5,-2.5 2,-0.2 3,-0.3 0.919 111.9 46.7 -61.8 -46.9 -2.5 81.8 50.5 66 66 A R H ><5S+ 0 0 92 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.893 106.5 58.8 -62.2 -40.1 -5.4 81.0 52.9 67 67 A E H 3<5S+ 0 0 167 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.850 103.7 52.5 -57.6 -36.0 -4.4 83.8 55.1 68 68 A E T 3<5S- 0 0 110 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.468 131.5 -93.4 -79.9 -4.9 -4.8 86.2 52.2 69 69 A G T < 5S+ 0 0 72 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.2 0.448 86.2 128.2 105.5 3.6 -8.3 85.0 51.5 70 70 A G < - 0 0 35 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.3 -0.230 56.9-122.0 -85.5-179.6 -7.4 82.3 49.0 71 71 A D + 0 0 132 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.0 -0.984 46.6 135.6-127.9 119.0 -8.2 78.7 48.8 72 72 A A - 0 0 5 -2,-0.5 2,-0.3 -10,-0.1 -32,-0.3 -0.971 25.3-166.2-161.9 147.7 -5.4 76.1 48.7 73 73 A Q E -a 40 0A 39 -34,-2.0 -32,-1.9 -2,-0.3 2,-0.4 -0.950 10.9-144.3-138.0 160.4 -4.6 72.8 50.3 74 74 A F E -a 41 0A 0 -2,-0.3 27,-1.7 -34,-0.2 2,-0.6 -0.982 7.5-165.7-131.1 121.7 -1.7 70.5 50.7 75 75 A I E -ac 42 101A 0 -34,-2.6 -32,-1.9 -2,-0.4 2,-0.4 -0.927 5.4-163.4-109.8 113.9 -1.8 66.7 50.7 76 76 A A E -ac 43 102A 0 25,-2.7 27,-3.1 -2,-0.6 2,-0.4 -0.834 13.8-158.8 -92.7 133.9 1.3 64.9 51.9 77 77 A V E -ac 44 103A 0 -34,-2.4 -32,-3.0 -2,-0.4 2,-0.5 -0.965 15.4-145.2-123.5 132.5 1.3 61.2 50.9 78 78 A R E - c 0 104A 10 25,-2.7 27,-2.6 -2,-0.4 -32,-0.1 -0.800 17.7-172.3 -89.0 129.3 3.3 58.3 52.4 79 79 A L + 0 0 7 -2,-0.5 27,-0.2 -34,-0.4 25,-0.1 -0.532 14.1 168.9-123.3 61.6 4.2 56.0 49.5 80 80 A P - 0 0 5 0, 0.0 27,-2.3 0, 0.0 2,-0.8 -0.345 36.0-137.6 -73.6 158.8 5.6 52.9 51.1 81 81 A H S S- 0 0 24 25,-0.2 2,-0.4 26,-0.2 25,-0.1 -0.901 77.5 -53.7-111.5 90.0 6.3 49.7 49.2 82 82 A G S S+ 0 0 22 -2,-0.8 2,-0.5 2,-0.1 25,-0.1 -0.602 125.7 4.2 75.5-123.2 5.0 47.3 51.8 83 83 A T S S- 0 0 139 -2,-0.4 2,-0.6 -3,-0.1 -2,-0.1 -0.812 72.7-142.0 -98.8 130.5 6.8 48.2 55.1 84 84 A Q > - 0 0 19 -2,-0.5 3,-2.0 1,-0.1 4,-0.2 -0.845 7.0-144.0 -94.8 122.7 9.2 51.1 55.1 85 85 A Q T 3 S+ 0 0 131 -2,-0.6 3,-0.3 1,-0.3 -1,-0.1 0.835 102.1 35.8 -51.3 -39.7 12.3 50.5 57.1 86 86 A D T >> S+ 0 0 17 1,-0.2 3,-1.9 -40,-0.1 4,-1.3 -0.045 73.2 134.8-108.3 33.3 12.4 54.1 58.3 87 87 A E H <> + 0 0 53 -3,-2.0 4,-2.3 1,-0.3 3,-0.2 0.863 69.4 63.7 -47.2 -38.5 8.6 54.7 58.5 88 88 A D H 3> S+ 0 0 138 -3,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.852 100.1 51.9 -57.1 -34.7 9.3 56.4 61.9 89 89 A D H <> S+ 0 0 16 -3,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.882 107.6 51.6 -68.6 -38.3 11.3 59.1 60.1 90 90 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 -44,-0.3 -43,-0.2 0.895 110.7 48.6 -65.6 -37.5 8.4 59.7 57.6 91 91 A Q H X S+ 0 0 95 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.881 110.1 51.3 -69.9 -36.1 6.1 60.1 60.6 92 92 A L H X S+ 0 0 49 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.941 108.3 52.5 -63.5 -46.7 8.6 62.5 62.2 93 93 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.902 109.0 49.7 -54.6 -44.8 8.6 64.4 58.9 94 94 A L H X S+ 0 0 15 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.898 106.4 54.9 -62.5 -40.5 4.8 64.6 59.0 95 95 A K H < S+ 0 0 157 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.843 115.2 40.8 -61.8 -34.9 4.9 65.9 62.6 96 96 A F H < S+ 0 0 22 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.914 116.2 47.3 -78.2 -47.3 7.2 68.7 61.5 97 97 A I H < S- 0 0 0 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.898 83.5-161.1 -62.8 -40.8 5.5 69.5 58.2 98 98 A K < - 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0 0 2 -3,-2.0 -23,-1.1 -26,-0.2 -24,-0.7 -0.657 51.2-142.5 -82.9 135.1 19.8 74.4 46.2 185 185 A T > - 0 0 1 -2,-0.3 4,-1.9 -25,-0.2 5,-0.1 -0.397 32.0-101.0 -82.3 173.8 22.8 72.3 47.1 186 186 A K H > S+ 0 0 7 42,-0.2 4,-1.9 1,-0.2 5,-0.1 0.898 122.7 45.5 -64.8 -43.5 22.4 69.6 49.8 187 187 A R H > S+ 0 0 53 41,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.817 111.4 53.4 -71.7 -30.5 24.1 71.6 52.6 188 188 A Q H > S+ 0 0 9 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.894 107.9 51.2 -69.0 -36.2 22.1 74.7 51.6 189 189 A G H X S+ 0 0 4 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.912 109.4 49.8 -63.4 -43.3 18.9 72.6 51.9 190 190 A R H X S+ 0 0 74 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.903 107.5 54.9 -61.1 -42.1 20.0 71.4 55.3 191 191 A T H X S+ 0 0 56 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.877 107.6 49.9 -59.7 -39.0 20.6 75.1 56.2 192 192 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.922 109.6 50.3 -65.9 -43.7 17.0 75.9 55.2 193 193 A L H X>S+ 0 0 0 -4,-2.2 5,-2.7 2,-0.2 4,-0.6 0.853 109.4 51.3 -62.4 -37.3 15.6 73.0 57.3 194 194 A K H ><5S+ 0 0 114 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.921 109.3 50.6 -65.3 -42.9 17.7 74.3 60.3 195 195 A E H 3<5S+ 0 0 77 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.864 109.2 51.7 -59.9 -38.7 16.1 77.8 59.7 196 196 A L H 3<5S- 0 0 35 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.564 117.8-114.5 -76.0 -9.3 12.7 76.2 59.7 197 197 A G T <<5 + 0 0 58 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.758 51.6 173.2 81.8 28.8 13.4 74.4 63.0 198 198 A A < - 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0 0 48 9,-0.8 -1,-0.1 -2,-0.3 10,-0.1 0.767 29.5-160.9 -85.7 -37.7 16.6 56.3 47.3 210 210 A D + 0 0 36 8,-0.6 9,-0.1 5,-0.1 -2,-0.0 0.863 43.9 131.5 54.2 48.6 15.6 53.1 49.0 211 211 A L + 0 0 32 4,-0.2 2,-0.4 7,-0.1 -76,-0.2 0.532 39.9 89.9-105.3 -8.9 14.4 51.4 45.8 212 212 A L - 0 0 32 3,-0.4 6,-0.1 1,-0.1 5,-0.1 -0.743 53.7-160.2 -99.0 138.9 16.1 48.0 46.0 213 213 A D S S+ 0 0 81 -2,-0.4 -1,-0.1 1,-0.2 -84,-0.0 0.866 98.8 47.9 -77.2 -36.1 14.6 44.9 47.5 214 214 A E S S+ 0 0 146 1,-0.3 -1,-0.2 0, 0.0 -2,-0.0 0.857 127.6 23.2 -72.1 -39.5 18.1 43.4 47.8 215 215 A K S > S- 0 0 111 3,-0.0 3,-1.1 0, 0.0 -3,-0.4 -0.585 80.4-174.1-129.5 71.7 19.7 46.4 49.3 216 216 A P T 3 S+ 0 0 61 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.305 72.4 18.3 -64.4 148.0 17.0 48.6 51.0 217 217 A Q T 3 S+ 0 0 47 1,-0.2 2,-0.2 -5,-0.1 -11,-0.1 0.719 82.1 173.2 64.0 23.3 18.2 51.9 52.4 218 218 A Q < - 0 0 48 -3,-1.1 -9,-0.8 -6,-0.1 -8,-0.6 -0.467 34.4-115.6 -63.9 127.3 21.3 51.9 50.2 219 219 A S B > -F 208 0C 20 -2,-0.2 4,-1.5 -11,-0.2 3,-0.4 -0.333 9.1-127.7 -68.2 146.9 23.0 55.3 50.6 220 220 A D H > S+ 0 0 12 -13,-2.5 4,-3.1 1,-0.2 3,-0.3 0.921 110.9 56.5 -56.7 -47.7 23.3 57.7 47.7 221 221 A E H > S+ 0 0 54 -14,-0.3 4,-2.9 1,-0.2 5,-0.2 0.852 101.9 58.5 -55.3 -34.0 27.0 58.0 48.3 222 222 A T H 4 S+ 0 0 93 -3,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.942 113.8 35.6 -60.9 -50.0 27.3 54.2 48.0 223 223 A E H < S+ 0 0 93 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.894 123.3 45.4 -72.2 -38.1 25.8 54.2 44.5 224 224 A L H < S- 0 0 17 -4,-3.1 -2,-0.2 2,-0.2 -3,-0.2 0.830 86.2-143.8 -75.6 -42.0 27.5 57.6 43.4 225 225 A G S < S+ 0 0 66 -4,-2.9 2,-0.3 1,-0.3 -3,-0.1 0.638 73.7 83.8 84.6 8.5 31.1 57.2 44.7 226 226 A I S S- 0 0 21 -5,-0.2 -1,-0.3 -6,-0.1 2,-0.2 -0.968 78.9-119.6-137.9 148.9 31.3 60.9 45.6 227 227 A S > - 0 0 29 -2,-0.3 4,-2.2 1,-0.1 3,-0.3 -0.578 21.1-118.2 -88.9 159.6 30.1 62.5 48.8 228 228 A Y H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 -42,-0.2 0.814 114.8 59.6 -64.8 -26.1 27.5 65.2 49.0 229 229 A D H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.891 106.1 44.7 -70.4 -36.0 30.1 67.5 50.5 230 230 A E H > S+ 0 0 68 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.917 113.9 51.2 -72.6 -38.5 32.3 67.2 47.5 231 231 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.925 111.8 47.0 -62.4 -45.5 29.3 67.7 45.2 232 232 A D H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 6,-0.2 0.887 108.3 53.9 -65.4 -41.7 28.3 70.8 47.1 233 233 A D H <>S+ 0 0 42 -4,-2.1 5,-2.9 2,-0.2 4,-0.4 0.937 111.7 47.4 -58.0 -44.3 31.8 72.3 47.1 234 234 A Y H ><5S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.964 114.1 45.3 -60.5 -52.5 31.8 71.9 43.4 235 235 A L H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.849 109.7 55.6 -61.8 -34.9 28.3 73.4 42.9 236 236 A E T 3<5S- 0 0 26 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.511 119.2-110.1 -79.6 1.7 29.1 76.2 45.3 237 237 A G T < 5 + 0 0 40 -3,-1.7 -3,-0.2 -4,-0.4 2,-0.2 0.683 65.4 150.0 82.8 15.7 32.1 77.2 43.2 238 238 A K < - 0 0 108 -5,-2.9 2,-0.4 -6,-0.2 -1,-0.3 -0.555 58.9-102.4 -79.4 146.5 34.8 76.1 45.7 239 239 A E - 0 0 198 -2,-0.2 2,-0.2 1,-0.0 -1,-0.1 -0.616 52.1-175.6 -70.3 121.5 38.1 74.9 44.1 240 240 A V - 0 0 30 -2,-0.4 2,-0.1 1,-0.1 -10,-0.0 -0.719 32.0 -78.8-114.3 170.4 37.9 71.1 44.4 241 241 A S >> - 0 0 75 -2,-0.2 4,-1.8 1,-0.1 3,-1.7 -0.383 40.2-116.8 -67.1 148.3 40.3 68.3 43.6 242 242 A A H 3> S+ 0 0 78 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.750 114.7 64.6 -57.7 -26.9 40.6 67.4 39.9 243 243 A K H 3> S+ 0 0 140 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.813 104.8 45.0 -67.6 -28.9 39.2 63.9 40.9 244 244 A V H <> S+ 0 0 4 -3,-1.7 4,-2.8 2,-0.2 5,-0.3 0.941 114.2 47.4 -78.1 -51.3 35.9 65.5 41.9 245 245 A S H X S+ 0 0 24 -4,-1.8 4,-2.9 1,-0.2 5,-0.3 0.939 112.6 49.9 -53.9 -51.5 35.6 67.8 38.8 246 246 A E H X S+ 0 0 145 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.939 114.0 44.0 -56.2 -48.7 36.5 64.9 36.5 247 247 A A H X S+ 0 0 41 -4,-1.4 4,-2.2 -5,-0.2 -2,-0.2 0.958 117.8 43.5 -63.6 -49.8 33.9 62.6 38.0 248 248 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.856 112.0 50.9 -65.6 -39.7 31.1 65.1 38.2 249 249 A E H X S+ 0 0 53 -4,-2.9 4,-1.9 -5,-0.3 -1,-0.2 0.890 111.8 49.3 -68.5 -32.0 31.6 66.7 34.8 250 250 A K H X S+ 0 0 144 -4,-1.7 4,-1.7 -5,-0.3 -2,-0.2 0.933 112.9 46.2 -68.7 -47.7 31.5 63.3 33.2 251 251 A R H X S+ 0 0 64 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.886 110.3 54.8 -61.8 -41.4 28.3 62.3 35.1 252 252 A Y H < S+ 0 0 5 -4,-2.5 3,-0.4 1,-0.2 4,-0.2 0.917 107.9 48.5 -60.1 -46.1 26.7 65.6 34.2 253 253 A S H >< S+ 0 0 78 -4,-1.9 3,-0.8 1,-0.2 4,-0.2 0.873 110.5 51.2 -64.5 -37.1 27.3 65.2 30.4 254 254 A M H 3< S+ 0 0 106 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.716 112.2 45.5 -75.1 -19.0 25.9 61.7 30.4 255 255 A T T >< S+ 0 0 9 -4,-1.2 3,-1.8 -3,-0.4 4,-0.5 0.230 74.1 110.4-108.2 14.5 22.7 62.6 32.2 256 256 A E G X S+ 0 0 31 -3,-0.8 3,-1.8 1,-0.3 4,-0.4 0.859 70.8 67.3 -57.0 -33.4 21.9 65.7 30.2 257 257 A H G > S+ 0 0 60 1,-0.3 3,-0.7 -3,-0.3 -1,-0.3 0.792 95.2 56.8 -59.4 -25.1 18.9 63.8 28.7 258 258 A K G < S+ 0 0 58 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.628 106.5 48.6 -80.6 -15.8 17.3 63.8 32.1 259 259 A R G < S+ 0 0 32 -3,-1.8 2,-0.3 -4,-0.5 -1,-0.2 0.306 106.4 65.1-107.0 9.0 17.4 67.6 32.3 260 260 A Q S < S- 0 0 72 -3,-0.7 3,-0.1 -4,-0.4 249,-0.1 -0.865 88.3-101.7-128.2 160.5 15.9 68.2 28.9 261 261 A V S S- 0 0 51 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.297 73.5 -58.1 -70.2 162.4 12.5 67.6 27.2 262 262 A P - 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0 0 97 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.2 -0.429 60.6 -89.8 -80.8 158.3 -2.1 79.1 6.2 488 239 B E + 0 0 194 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.492 52.4 172.9 -70.5 135.9 -4.9 81.5 7.0 489 240 B V - 0 0 35 -2,-0.2 -9,-0.0 -6,-0.1 2,-0.0 -0.867 37.4 -81.1-136.1 168.1 -7.5 80.3 9.4 490 241 B S > - 0 0 67 -2,-0.3 4,-2.5 1,-0.1 3,-0.3 -0.321 36.8-115.4 -70.4 157.7 -10.5 81.9 11.2 491 242 B A H > S+ 0 0 74 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.822 118.6 60.4 -60.3 -29.9 -10.0 84.0 14.3 492 243 B K H > S+ 0 0 168 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.916 107.6 42.3 -64.7 -44.5 -12.0 81.2 16.0 493 244 B V H > S+ 0 0 3 -3,-0.3 4,-2.8 2,-0.2 5,-0.3 0.982 117.9 46.3 -65.3 -54.2 -9.4 78.6 15.1 494 245 B S H X S+ 0 0 22 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.904 113.9 46.0 -52.4 -55.1 -6.4 80.9 15.9 495 246 B E H X S+ 0 0 144 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.902 114.2 50.8 -59.8 -39.2 -7.7 82.1 19.3 496 247 B A H X S+ 0 0 40 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.934 114.8 40.9 -63.8 -51.2 -8.7 78.6 20.3 497 248 B L H X S+ 0 0 7 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.906 113.8 52.1 -66.1 -43.3 -5.3 77.1 19.5 498 249 B E H X S+ 0 0 49 -4,-3.0 4,-2.0 -5,-0.3 -1,-0.2 0.859 111.8 47.4 -64.5 -31.3 -3.3 79.9 20.9 499 250 B K H X S+ 0 0 142 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.932 114.3 45.3 -73.3 -48.5 -5.2 79.7 24.2 500 251 B R H X S+ 0 0 74 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.894 111.4 56.0 -62.6 -37.6 -4.8 75.9 24.4 501 252 B Y H >< S+ 0 0 10 -4,-2.9 3,-0.6 2,-0.2 4,-0.4 0.950 109.4 43.0 -61.2 -52.5 -1.1 76.3 23.5 502 253 B S H >< S+ 0 0 75 -4,-2.0 3,-1.2 1,-0.2 4,-0.3 0.916 112.0 56.0 -63.9 -35.1 -0.3 78.7 26.3 503 254 B M H 3< S+ 0 0 103 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.766 111.8 42.8 -67.4 -24.5 -2.4 76.5 28.7 504 255 B T T XX S+ 0 0 2 -4,-1.4 3,-2.3 -3,-0.6 4,-0.6 0.296 75.4 110.8-106.0 14.1 -0.3 73.5 27.9 505 256 B E G X4 S+ 0 0 28 -3,-1.2 3,-1.6 -4,-0.4 4,-0.4 0.854 71.5 67.3 -55.3 -32.9 3.2 75.0 27.9 506 257 B H G 34 S+ 0 0 59 -4,-0.3 3,-0.5 1,-0.3 -1,-0.3 0.744 94.9 56.0 -61.0 -23.6 3.8 73.0 31.1 507 258 B K G <4 S+ 0 0 49 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.698 107.7 48.1 -82.7 -16.7 3.7 69.8 29.1 508 259 B R S << S+ 0 0 28 -3,-1.6 2,-0.3 -4,-0.6 -1,-0.2 0.297 107.7 61.3-106.4 10.6 6.4 71.0 26.7 509 260 B Q S S- 0 0 71 -3,-0.5 3,-0.1 -4,-0.4 -249,-0.1 -0.830 90.0 -98.8-129.9 163.8 8.9 72.2 29.3 510 261 B V S S- 0 0 52 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.401 73.8 -59.3 -72.5 162.8 10.8 70.5 32.1 511 262 B P - 0 0 19 0, 0.0 -333,-0.2 0, 0.0 -1,-0.2 -0.124 68.6-103.4 -47.8 137.6 9.1 71.1 35.5 512 263 B A B -e 178 0B 1 -335,-1.6 -333,-3.0 -3,-0.1 2,-0.3 -0.307 39.7-178.4 -65.3 145.4 8.8 74.7 36.4 513 264 B S > - 0 0 4 -335,-0.2 3,-2.1 -3,-0.1 -332,-0.0 -0.867 45.6 -99.6-134.3 168.3 11.2 76.5 38.8 514 265 B M T 3 S+ 0 0 39 -335,-0.4 -2,-0.1 -2,-0.3 -336,-0.0 0.635 121.3 62.9 -64.6 -15.6 11.2 80.0 40.1 515 266 B F T 3 S+ 0 0 68 2,-0.0 2,-0.3 -504,-0.0 -1,-0.3 0.431 86.8 93.0 -87.7 -3.2 14.1 80.7 37.6 516 267 B D < - 0 0 35 -3,-2.1 -4,-0.0 1,-0.1 3,-0.0 -0.756 51.6-172.4 -94.1 146.6 11.8 79.9 34.6 517 268 B D > + 0 0 124 -2,-0.3 3,-1.8 1,-0.1 -1,-0.1 0.695 65.9 83.7-106.5 -29.8 9.8 82.6 32.8 518 269 B W T 3 S+ 0 0 56 1,-0.3 -1,-0.1 2,-0.2 -13,-0.1 0.685 87.9 58.1 -53.3 -23.1 7.5 80.8 30.4 519 270 B W T 3 0 0 23 1,-0.2 -1,-0.3 -14,-0.1 -2,-0.1 0.581 360.0 360.0 -87.4 -11.0 4.9 80.2 33.1 520 271 B K < 0 0 162 -3,-1.8 -1,-0.2 -4,-0.0 -2,-0.2 0.822 360.0 360.0 -81.7 360.0 4.2 83.8 34.1