==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 22-JUL-96 1NSY . COMPND 2 MOLECULE: NAD SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR M.RIZZI,C.NESSI,M.BOLOGNESI,A.GALIZZI,A.CODA . 542 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 18 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 236 43.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 3 0 0 3 1 2 2 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 . 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 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 0 106 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 135.1 35.1 77.3 33.5 2 2 A M H > + 0 0 80 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.903 360.0 46.3 -56.6 -42.9 33.3 74.0 33.7 3 3 A Q H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.874 113.8 49.5 -64.7 -40.1 32.6 74.4 37.4 4 4 A E H > S+ 0 0 111 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.853 110.2 49.3 -71.7 -39.5 31.5 77.9 36.9 5 5 A K H X S+ 0 0 73 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.907 112.6 48.6 -67.0 -41.9 29.1 77.0 34.0 6 6 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.933 107.5 54.7 -63.9 -44.0 27.5 74.2 36.1 7 7 A M H X>S+ 0 0 29 -4,-2.1 5,-2.0 -5,-0.2 4,-0.7 0.922 113.4 42.6 -54.3 -46.5 27.0 76.5 39.0 8 8 A R H ><5S+ 0 0 153 -4,-1.6 3,-0.6 2,-0.2 -2,-0.2 0.920 112.7 50.7 -71.1 -41.4 25.1 78.9 36.8 9 9 A E H 3<5S+ 0 0 82 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.881 115.1 45.1 -62.9 -34.2 23.0 76.3 34.9 10 10 A L H 3<5S- 0 0 15 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.558 109.4-125.2 -86.7 -10.5 22.0 74.8 38.2 11 11 A H T <<5 + 0 0 69 -4,-0.7 2,-0.3 -3,-0.6 -3,-0.2 0.804 48.1 164.7 74.4 30.6 21.3 78.2 39.9 12 12 A V < - 0 0 13 -5,-2.0 -1,-0.2 -6,-0.2 172,-0.1 -0.635 29.5-146.4 -89.5 135.1 23.6 77.9 42.9 13 13 A K - 0 0 71 170,-0.5 172,-0.2 -2,-0.3 3,-0.1 -0.851 9.6-145.6 -99.3 126.8 24.6 80.8 45.1 14 14 A P S S+ 0 0 88 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.864 92.2 25.3 -61.7 -29.3 28.1 80.6 46.5 15 15 A S S S- 0 0 97 -3,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.987 74.2-172.9-141.3 133.7 26.5 82.4 49.5 16 16 A I - 0 0 37 -2,-0.4 3,-0.1 -3,-0.1 0, 0.0 -0.841 27.0-137.4-121.5 162.9 23.0 82.6 50.9 17 17 A D >> - 0 0 93 -2,-0.3 4,-2.7 1,-0.1 3,-0.6 -0.938 24.1-153.5-113.4 101.7 21.0 84.3 53.5 18 18 A P H 3> S+ 0 0 30 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.799 91.3 49.7 -48.0 -41.5 18.8 81.5 55.0 19 19 A K H 3> S+ 0 0 124 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.882 113.1 47.3 -70.1 -35.2 15.9 83.6 56.1 20 20 A Q H <> S+ 0 0 78 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.910 110.2 53.3 -69.2 -42.1 15.7 85.3 52.7 21 21 A E H X S+ 0 0 7 -4,-2.7 4,-2.1 1,-0.2 5,-0.3 0.939 108.3 50.7 -59.6 -45.1 15.9 81.9 50.9 22 22 A I H X S+ 0 0 24 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.931 111.7 47.0 -57.4 -47.4 13.0 80.7 53.0 23 23 A E H X S+ 0 0 76 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.924 112.1 49.9 -61.3 -46.0 10.9 83.8 52.1 24 24 A D H X S+ 0 0 60 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.852 113.2 45.3 -60.4 -43.2 11.7 83.5 48.3 25 25 A R H X S+ 0 0 2 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.866 112.2 49.2 -75.9 -33.7 10.8 79.9 48.1 26 26 A V H X S+ 0 0 16 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.873 113.0 50.7 -71.4 -33.0 7.6 80.1 50.0 27 27 A N H X S+ 0 0 63 -4,-2.0 4,-3.3 -5,-0.2 -2,-0.2 0.915 105.9 53.4 -71.3 -38.7 6.7 83.1 47.8 28 28 A F H X S+ 0 0 5 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.910 108.4 51.4 -58.8 -44.2 7.4 81.2 44.5 29 29 A L H X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.892 113.7 43.6 -61.2 -41.4 5.0 78.5 45.8 30 30 A K H X S+ 0 0 33 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.887 112.7 52.2 -69.7 -41.6 2.3 81.2 46.4 31 31 A Q H X S+ 0 0 110 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.941 111.6 46.6 -60.2 -48.9 3.0 83.0 43.1 32 32 A Y H X S+ 0 0 12 -4,-2.7 4,-2.2 1,-0.2 6,-0.3 0.895 110.2 51.3 -61.4 -44.8 2.7 79.7 41.0 33 33 A V H X>S+ 0 0 10 -4,-1.5 4,-1.1 -5,-0.2 5,-0.6 0.893 110.4 49.3 -65.4 -36.2 -0.5 78.5 42.6 34 34 A K H <5S+ 0 0 182 -4,-1.8 3,-0.4 2,-0.2 -2,-0.2 0.946 110.2 50.4 -68.8 -47.0 -2.2 81.8 42.1 35 35 A K H <5S+ 0 0 121 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.908 118.9 36.7 -55.7 -45.0 -1.2 82.0 38.4 36 36 A T H <5S- 0 0 68 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.541 100.2-132.0 -85.3 -13.9 -2.5 78.5 37.7 37 37 A G T <5 + 0 0 54 -4,-1.1 -3,-0.2 -3,-0.4 -4,-0.1 0.655 49.2 158.7 68.2 16.2 -5.5 78.7 40.0 38 38 A A < - 0 0 20 -5,-0.6 114,-0.2 -6,-0.3 -1,-0.2 -0.150 45.3-128.2 -65.0 160.1 -4.6 75.2 41.5 39 39 A K - 0 0 104 112,-2.2 34,-1.5 1,-0.2 2,-0.3 0.523 62.7 -63.3 -92.8 0.4 -5.9 74.3 44.9 40 40 A G E -a 73 0A 0 111,-0.3 113,-2.6 32,-0.3 2,-0.3 -0.999 59.3 -70.6 153.1-155.4 -2.7 73.2 46.7 41 41 A F E -ab 74 153A 0 32,-2.0 34,-2.3 -2,-0.3 2,-0.4 -0.916 18.7-155.5-140.5 161.0 -0.0 70.7 46.6 42 42 A V E +ab 75 154A 0 111,-2.1 113,-2.3 -2,-0.3 2,-0.3 -0.985 19.3 172.1-135.1 143.9 0.7 67.1 47.2 43 43 A L E -a 76 0A 5 32,-1.7 34,-2.3 -2,-0.4 2,-0.4 -0.972 34.2-116.2-153.8 141.0 4.2 65.6 48.0 44 44 A G E -a 77 0A 14 -2,-0.3 2,-0.8 111,-0.3 34,-0.2 -0.611 27.3-150.3 -75.9 126.1 5.6 62.2 49.1 45 45 A I + 0 0 2 32,-2.6 34,-0.3 -2,-0.4 49,-0.1 -0.882 20.6 173.3-105.2 107.6 7.2 62.5 52.6 46 46 A S - 0 0 59 -2,-0.8 44,-0.2 2,-0.1 -1,-0.1 0.634 48.4-113.0 -87.1 -21.5 10.0 60.0 52.9 47 47 A G S S+ 0 0 0 1,-0.4 2,-0.2 43,-0.2 -2,-0.1 0.434 82.8 114.1 95.1 1.2 11.5 60.8 56.3 48 48 A G S > S- 0 0 17 1,-0.1 4,-1.2 155,-0.0 -1,-0.4 -0.487 81.1 -98.5 -97.6 173.9 14.7 62.1 54.6 49 49 A Q H > S+ 0 0 18 1,-0.2 4,-2.0 153,-0.2 5,-0.2 0.826 111.8 52.4 -59.7 -46.9 15.9 65.7 54.6 50 50 A D H > S+ 0 0 20 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.950 111.2 44.5 -63.1 -50.1 14.8 67.0 51.3 51 51 A S H > S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.787 111.2 56.2 -66.6 -24.2 11.1 66.0 51.5 52 52 A T H X S+ 0 0 0 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.926 111.0 43.4 -72.3 -43.1 11.1 67.3 55.1 53 53 A L H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.953 117.0 44.3 -64.4 -52.8 12.3 70.7 53.9 54 54 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.880 112.0 54.0 -61.4 -39.1 10.0 71.0 50.9 55 55 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.898 108.6 49.1 -63.2 -39.7 7.0 69.7 52.9 56 56 A R H X S+ 0 0 46 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.924 110.0 50.6 -69.7 -36.6 7.6 72.4 55.5 57 57 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.931 110.9 50.7 -61.7 -42.2 7.8 75.1 52.8 58 58 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.924 108.6 49.6 -62.8 -49.7 4.6 73.9 51.3 59 59 A Q H X S+ 0 0 2 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.909 111.6 50.4 -57.2 -41.3 2.8 73.9 54.5 60 60 A L H X S+ 0 0 45 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.888 108.0 52.9 -65.2 -39.5 4.0 77.4 55.2 61 61 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.928 110.2 46.3 -65.4 -40.1 2.9 78.6 51.7 62 62 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.827 110.1 52.9 -73.7 -29.2 -0.7 77.3 52.1 63 63 A E H X S+ 0 0 74 -4,-1.7 4,-1.2 -5,-0.2 -1,-0.2 0.893 112.3 46.5 -70.2 -34.9 -1.1 78.8 55.6 64 64 A S H X S+ 0 0 24 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.873 110.1 52.9 -72.7 -37.6 -0.0 82.1 54.2 65 65 A I H ><>S+ 0 0 14 -4,-2.4 5,-2.2 1,-0.2 3,-0.8 0.970 109.8 48.3 -59.0 -53.3 -2.3 81.8 51.2 66 66 A R H ><5S+ 0 0 95 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.771 105.6 60.1 -60.5 -24.6 -5.3 81.1 53.5 67 67 A E H 3<5S+ 0 0 156 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.840 100.4 52.3 -69.5 -41.3 -4.3 84.1 55.7 68 68 A E T <<5S- 0 0 131 -4,-1.4 -1,-0.2 -3,-0.8 -2,-0.2 0.410 131.9 -96.1 -76.7 4.6 -4.7 86.5 52.8 69 69 A G T < 5S+ 0 0 70 -3,-0.8 -3,-0.2 1,-0.2 -2,-0.1 0.478 85.3 128.1 95.3 6.6 -8.2 85.0 52.3 70 70 A G < - 0 0 38 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.2 -0.101 56.0-122.0 -82.3-176.6 -7.3 82.4 49.6 71 71 A D + 0 0 124 2,-0.0 2,-0.3 -4,-0.0 -1,-0.0 -0.997 46.3 135.0-132.6 127.0 -8.0 78.7 49.6 72 72 A A - 0 0 3 -2,-0.4 2,-0.3 -10,-0.1 -32,-0.3 -0.940 25.9-163.8-163.4 155.5 -5.2 76.2 49.3 73 73 A Q E -a 40 0A 46 -34,-1.5 -32,-2.0 -2,-0.3 2,-0.4 -0.975 11.2-138.1-147.7 162.5 -4.4 73.0 51.0 74 74 A F E -a 41 0A 0 -2,-0.3 27,-1.8 -34,-0.2 2,-0.6 -0.982 8.1-166.1-130.2 119.6 -1.4 70.5 51.5 75 75 A I E -ac 42 101A 0 -34,-2.3 -32,-1.7 -2,-0.4 2,-0.5 -0.935 6.6-163.0-108.7 120.8 -1.6 66.7 51.4 76 76 A A E -ac 43 102A 0 25,-2.8 27,-3.0 -2,-0.6 2,-0.4 -0.859 14.5-163.1 -98.4 130.6 1.5 65.0 52.8 77 77 A V E -ac 44 103A 0 -34,-2.3 -32,-2.6 -2,-0.5 2,-0.4 -0.968 17.4-145.0-127.8 133.2 1.7 61.3 51.7 78 78 A R E - c 0 104A 9 25,-2.5 27,-2.3 -2,-0.4 -32,-0.1 -0.738 14.9-172.4 -88.6 133.1 3.7 58.3 53.0 79 79 A L + 0 0 8 -2,-0.4 27,-0.1 -34,-0.3 -1,-0.1 -0.492 13.9 171.4-127.6 58.8 4.6 55.9 50.1 80 80 A P - 0 0 0 0, 0.0 27,-1.6 0, 0.0 2,-1.0 -0.342 36.6-136.1 -67.3 148.5 6.1 52.8 51.7 81 81 A H S S- 0 0 26 25,-0.2 2,-0.5 26,-0.2 25,-0.1 -0.809 78.4 -56.5-102.7 83.7 6.9 49.7 49.7 82 82 A G S S+ 0 0 19 -2,-1.0 2,-0.6 2,-0.1 25,-0.1 -0.635 126.1 6.8 80.3-122.4 5.4 47.4 52.4 83 83 A T S S- 0 0 137 -2,-0.5 2,-0.5 -3,-0.1 -2,-0.1 -0.830 76.9-145.0 -95.8 120.1 7.2 48.1 55.7 84 84 A Q > - 0 0 23 -2,-0.6 3,-1.5 1,-0.1 4,-0.2 -0.766 8.2-140.0 -87.3 130.3 9.5 51.0 55.5 85 85 A Q T 3 S+ 0 0 133 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.857 99.3 37.5 -61.1 -33.5 12.6 50.5 57.6 86 86 A D T >> S+ 0 0 17 1,-0.2 3,-1.8 -40,-0.1 4,-1.2 -0.044 70.7 135.9-109.2 38.3 12.8 54.0 58.9 87 87 A E H <> + 0 0 48 -3,-1.5 4,-2.4 1,-0.3 5,-0.2 0.815 67.4 66.8 -50.8 -32.7 9.1 54.7 59.2 88 88 A D H 3> S+ 0 0 133 -3,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.869 99.3 48.3 -62.6 -37.5 9.9 56.3 62.6 89 89 A D H <> S+ 0 0 16 -3,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.821 109.2 53.8 -69.0 -33.4 11.8 59.1 60.9 90 90 A A H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.892 108.1 49.6 -69.8 -35.2 8.9 59.7 58.5 91 91 A Q H X S+ 0 0 82 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.904 110.0 51.1 -70.9 -35.5 6.5 60.0 61.4 92 92 A L H X S+ 0 0 51 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.920 108.0 52.9 -65.1 -43.3 8.9 62.4 63.0 93 93 A A H X S+ 0 0 0 -4,-2.8 4,-3.3 2,-0.2 5,-0.3 0.922 107.7 50.6 -57.4 -44.0 8.9 64.4 59.8 94 94 A L H X S+ 0 0 17 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.917 108.1 53.8 -61.8 -38.7 5.1 64.6 59.7 95 95 A K H < S+ 0 0 140 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.834 113.8 41.3 -64.5 -33.9 5.1 65.8 63.2 96 96 A F H < S+ 0 0 28 -4,-1.8 -2,-0.2 -3,-0.1 -1,-0.2 0.881 117.3 46.7 -78.0 -43.0 7.5 68.6 62.3 97 97 A I H < S- 0 0 0 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.884 84.9-160.4 -66.1 -41.9 5.8 69.5 59.0 98 98 A K < - 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0 0 3 -3,-1.5 -24,-0.9 -172,-0.1 -23,-0.8 -0.671 53.3-141.1 -80.1 135.8 20.3 74.7 47.0 185 185 A T > - 0 0 2 -2,-0.3 4,-1.6 -25,-0.2 5,-0.1 -0.308 32.2-101.1 -83.0 171.0 23.3 72.5 47.9 186 186 A K H > S+ 0 0 8 42,-0.2 4,-1.9 2,-0.2 3,-0.2 0.977 124.3 44.7 -59.8 -47.9 22.9 69.6 50.5 187 187 A R H > S+ 0 0 48 41,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.906 110.1 54.2 -62.5 -39.7 24.5 71.7 53.2 188 188 A Q H > S+ 0 0 11 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.856 107.6 53.0 -63.2 -29.5 22.5 74.8 52.4 189 189 A G H X S+ 0 0 5 -4,-1.6 4,-2.1 -3,-0.2 -1,-0.2 0.897 106.1 50.7 -70.0 -40.3 19.4 72.7 52.7 190 190 A R H X S+ 0 0 74 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.911 106.9 56.6 -63.4 -39.0 20.5 71.6 56.1 191 191 A T H X S+ 0 0 57 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.884 106.0 49.4 -60.3 -36.9 21.0 75.2 57.0 192 192 A L H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.928 110.1 50.2 -70.1 -40.5 17.3 76.0 56.1 193 193 A L H <>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 4,-0.4 0.894 109.9 51.0 -63.7 -38.4 16.1 73.1 58.2 194 194 A K H ><5S+ 0 0 124 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.941 109.3 51.7 -63.7 -43.4 18.2 74.4 61.1 195 195 A E H 3<5S+ 0 0 110 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.858 109.9 48.4 -60.7 -34.8 16.6 77.8 60.5 196 196 A L T 3<5S- 0 0 41 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.452 117.8-112.8 -83.7 -6.7 13.1 76.3 60.6 197 197 A G T < 5 + 0 0 55 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.785 51.6 172.7 81.6 35.2 13.9 74.4 63.8 198 198 A A < - 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0 0 48 9,-0.6 10,-0.1 -2,-0.3 -1,-0.1 0.711 31.7-160.2 -84.6 -25.0 16.9 56.6 47.9 210 210 A D + 0 0 43 8,-0.7 9,-0.1 5,-0.1 -2,-0.0 0.876 41.0 136.9 48.5 54.7 16.2 53.1 49.4 211 211 A L + 0 0 33 4,-0.2 2,-0.3 7,-0.1 -76,-0.1 0.598 40.7 93.9-102.6 -14.5 14.8 51.5 46.3 212 212 A L - 0 0 40 3,-0.4 5,-0.2 1,-0.1 6,-0.1 -0.590 49.6-166.6 -91.0 143.9 16.5 48.1 46.6 213 213 A D S S+ 0 0 74 -2,-0.3 -1,-0.1 -85,-0.1 -84,-0.0 0.809 95.2 48.3 -90.0 -34.8 15.2 44.9 48.1 214 214 A E S S+ 0 0 158 1,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.831 128.3 23.4 -75.9 -27.6 18.6 43.3 48.1 215 215 A K S > S- 0 0 133 3,-0.0 3,-1.1 0, 0.0 -3,-0.4 -0.519 84.6-168.2-138.5 68.0 20.4 46.2 49.6 216 216 A P T 3 + 0 0 67 0, 0.0 -3,-0.1 0, 0.0 -5,-0.0 -0.133 69.2 13.1 -59.5 150.9 17.8 48.3 51.5 217 217 A Q T 3 S+ 0 0 46 1,-0.2 2,-0.2 -5,-0.2 -4,-0.0 0.745 80.8 175.4 51.4 32.2 18.7 51.8 52.8 218 218 A Q < - 0 0 50 -3,-1.1 -8,-0.7 -6,-0.1 -9,-0.6 -0.476 31.3-118.8 -67.9 131.1 21.8 51.9 50.7 219 219 A S B >> -F 208 0C 19 -2,-0.2 4,-1.7 -11,-0.2 3,-0.7 -0.407 9.4-126.8 -74.2 145.4 23.4 55.4 51.1 220 220 A D H 3> S+ 0 0 6 -13,-1.8 4,-3.7 1,-0.2 5,-0.3 0.903 108.3 62.7 -55.8 -46.2 23.8 57.6 48.1 221 221 A E H 3> S+ 0 0 57 -14,-0.3 4,-2.5 1,-0.2 5,-0.3 0.850 102.0 52.2 -52.8 -31.9 27.5 58.1 48.9 222 222 A T H <4 S+ 0 0 98 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.958 113.0 42.4 -68.3 -51.0 28.0 54.3 48.4 223 223 A E H < S+ 0 0 100 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.957 120.9 43.6 -60.2 -49.8 26.3 54.4 45.0 224 224 A L H < S- 0 0 13 -4,-3.7 -2,-0.2 2,-0.2 -1,-0.2 0.842 89.1-140.4 -69.3 -38.0 28.0 57.6 43.9 225 225 A G S < S+ 0 0 70 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.1 0.564 76.9 80.4 87.0 2.4 31.6 57.1 45.1 226 226 A I S S- 0 0 21 -5,-0.3 -1,-0.3 -6,-0.2 2,-0.2 -0.962 78.2-118.1-137.8 154.7 31.8 60.8 46.2 227 227 A S >> - 0 0 25 -2,-0.3 4,-2.2 1,-0.1 3,-0.7 -0.581 22.0-116.7 -97.9 157.8 30.5 62.5 49.4 228 228 A Y H 3> S+ 0 0 7 1,-0.2 4,-2.5 -2,-0.2 -41,-0.2 0.780 114.4 60.3 -61.6 -24.4 28.0 65.2 49.7 229 229 A D H 3> S+ 0 0 79 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.858 106.0 44.2 -72.9 -31.7 30.6 67.4 51.1 230 230 A E H <> S+ 0 0 63 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.888 113.8 52.7 -75.2 -37.1 32.8 67.2 48.0 231 231 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.936 110.1 47.9 -61.3 -46.6 29.7 67.7 45.9 232 232 A D H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.854 108.5 53.0 -65.4 -35.0 28.8 70.8 47.8 233 233 A D H <>S+ 0 0 50 -4,-1.4 5,-2.9 2,-0.2 4,-0.3 0.909 110.5 48.4 -67.4 -39.4 32.2 72.4 47.7 234 234 A Y H ><5S+ 0 0 1 -4,-2.0 3,-1.8 2,-0.2 -2,-0.2 0.978 115.6 43.5 -60.9 -56.8 32.2 72.0 43.8 235 235 A L H 3<5S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.862 110.2 57.2 -56.5 -44.6 28.7 73.5 43.5 236 236 A E T 3<5S- 0 0 16 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.528 118.6-108.7 -70.7 0.7 29.6 76.3 46.0 237 237 A G T < 5 + 0 0 42 -3,-1.8 2,-0.2 -4,-0.3 -3,-0.2 0.635 67.5 148.2 83.0 16.2 32.6 77.4 43.9 238 238 A K < - 0 0 99 -5,-2.9 2,-0.5 -6,-0.2 -1,-0.3 -0.593 58.3-103.3 -85.4 148.0 35.3 76.2 46.2 239 239 A E + 0 0 191 -2,-0.2 2,-0.2 1,-0.0 -1,-0.1 -0.581 51.9 177.3 -69.2 111.0 38.7 74.9 44.9 240 240 A V - 0 0 31 -2,-0.5 2,-0.1 1,-0.1 -10,-0.0 -0.600 35.4 -76.4-113.2 175.3 38.4 71.1 45.1 241 241 A S >> - 0 0 50 -2,-0.2 3,-1.9 1,-0.1 4,-1.7 -0.395 38.9-113.6 -75.5 151.9 40.8 68.4 44.1 242 242 A A H 3> S+ 0 0 79 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.857 116.7 61.3 -47.5 -38.2 41.3 67.5 40.4 243 243 A K H 3> S+ 0 0 144 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.742 104.6 45.4 -65.8 -23.5 39.8 64.1 41.3 244 244 A V H <> S+ 0 0 5 -3,-1.9 4,-2.4 2,-0.2 5,-0.2 0.913 113.7 48.7 -81.8 -49.7 36.4 65.6 42.5 245 245 A S H X S+ 0 0 31 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.951 111.0 51.1 -55.8 -49.9 36.1 67.9 39.5 246 246 A E H X S+ 0 0 114 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.940 113.3 43.3 -53.1 -53.5 36.9 65.1 37.0 247 247 A A H X S+ 0 0 40 -4,-1.1 4,-1.7 -5,-0.2 -1,-0.2 0.826 115.8 47.9 -62.4 -39.4 34.3 62.7 38.4 248 248 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.903 112.4 46.9 -67.7 -48.3 31.6 65.3 38.8 249 249 A E H X S+ 0 0 49 -4,-2.6 4,-1.9 -5,-0.2 5,-0.2 0.838 110.7 52.9 -65.6 -32.9 32.0 66.7 35.3 250 250 A K H X S+ 0 0 126 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.953 112.5 45.9 -65.7 -46.7 32.0 63.2 33.7 251 251 A R H X S+ 0 0 80 -4,-1.7 4,-0.8 -5,-0.2 -2,-0.2 0.847 108.9 54.8 -65.2 -37.7 28.8 62.4 35.5 252 252 A Y H >< S+ 0 0 6 -4,-2.2 3,-1.0 1,-0.2 4,-0.2 0.949 107.4 48.3 -65.1 -47.2 27.1 65.6 34.6 253 253 A S H >< S+ 0 0 76 -4,-1.9 3,-1.0 1,-0.2 4,-0.3 0.890 109.0 54.8 -64.9 -32.1 27.6 65.3 30.9 254 254 A M H 3< S+ 0 0 120 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.701 111.6 43.4 -73.7 -16.2 26.3 61.8 30.9 255 255 A T T XX S+ 0 0 16 -3,-1.0 3,-2.1 -4,-0.8 4,-0.6 0.194 74.2 112.4-111.1 10.4 23.0 62.7 32.6 256 256 A E G X4 S+ 0 0 35 -3,-1.0 3,-2.0 1,-0.3 4,-0.2 0.892 71.7 66.4 -54.2 -33.1 22.2 65.8 30.6 257 257 A H G >4 S+ 0 0 64 1,-0.3 3,-0.8 -4,-0.3 -1,-0.3 0.773 93.2 57.5 -60.8 -26.0 19.4 63.9 29.1 258 258 A K G <4 S+ 0 0 59 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.694 107.2 50.8 -77.2 -15.4 17.7 63.8 32.5 259 259 A R G << S+ 0 0 40 -3,-2.0 2,-0.3 -4,-0.6 -1,-0.2 0.239 104.5 57.8-106.1 6.8 17.7 67.5 32.6 260 260 A Q S < S- 0 0 61 -3,-0.8 3,-0.1 -4,-0.2 272,-0.1 -0.879 89.7 -97.3-126.7 166.0 16.2 68.4 29.1 261 261 A V S S- 0 0 54 -2,-0.3 -2,-0.1 1,-0.2 272,-0.1 -0.349 74.0 -58.2 -74.1 163.7 12.8 67.6 27.5 262 262 A P - 0 0 27 0, 0.0 188,-0.2 0, 0.0 -1,-0.2 -0.118 68.0-103.9 -50.4 139.2 13.1 64.6 25.1 263 263 A A B -g 450 0D 1 186,-1.6 188,-2.6 -3,-0.1 2,-0.3 -0.379 39.1-179.2 -68.6 141.1 15.6 65.0 22.3 264 264 A S > - 0 0 5 186,-0.2 3,-1.5 -2,-0.1 189,-0.0 -0.791 46.0 -99.5-129.8 169.8 14.6 65.8 18.7 265 265 A M T 3 S+ 0 0 32 186,-0.4 -2,-0.0 -2,-0.3 185,-0.0 0.647 120.5 63.5 -66.0 -15.1 16.7 66.4 15.6 266 266 A F T 3 S+ 0 0 63 2,-0.0 2,-0.3 17,-0.0 -1,-0.3 0.498 84.2 92.3 -85.6 -7.0 16.3 70.1 16.1 267 267 A D < - 0 0 41 -3,-1.5 4,-0.1 1,-0.1 -4,-0.0 -0.722 53.0-168.4 -92.7 141.4 18.1 70.1 19.5 268 268 A D > + 0 0 124 -2,-0.3 3,-2.0 2,-0.1 -1,-0.1 0.675 68.1 85.8 -97.2 -28.5 21.9 70.7 19.6 269 269 A W T 3 S+ 0 0 78 1,-0.3 -1,-0.1 2,-0.2 -13,-0.1 0.749 88.7 52.7 -49.9 -29.5 22.7 69.8 23.2 270 270 A W T 3 0 0 19 1,-0.1 -1,-0.3 -14,-0.0 -2,-0.1 0.688 360.0 360.0 -85.7 -14.3 23.1 66.1 22.4 271 271 A K < 0 0 223 -3,-2.0 -2,-0.2 -4,-0.1 -1,-0.1 0.990 360.0 360.0 -78.4 360.0 25.6 66.6 19.5 272 !* 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 0.0 273 1 B S > 0 0 95 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 143.8 2.6 86.6 15.0 274 2 B M H > + 0 0 74 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.916 360.0 46.7 -61.5 -39.6 1.4 84.2 17.6 275 3 B Q H > S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.872 113.5 49.2 -67.2 -36.3 0.8 81.7 14.8 276 4 B E H > S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.896 110.8 50.2 -70.7 -37.9 4.3 82.5 13.4 277 5 B K H X S+ 0 0 61 -4,-3.3 4,-2.9 2,-0.2 -2,-0.2 0.962 112.1 46.3 -62.4 -53.2 5.9 82.1 16.9 278 6 B I H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 6,-0.2 0.901 110.0 54.1 -54.5 -44.7 4.2 78.7 17.5 279 7 B M H <>S+ 0 0 31 -4,-2.1 5,-2.1 1,-0.2 4,-0.4 0.914 113.2 43.3 -57.7 -48.2 5.2 77.4 14.0 280 8 B R H ><5S+ 0 0 178 -4,-2.0 3,-0.8 2,-0.2 -2,-0.2 0.904 113.6 50.3 -67.6 -42.5 8.8 78.3 14.7 281 9 B E H 3<5S+ 0 0 87 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.881 114.6 44.3 -63.3 -38.7 8.8 76.9 18.3 282 10 B L T 3<5S- 0 0 17 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.434 108.2-125.1 -86.5 0.2 7.3 73.6 17.1 283 11 B H T < 5 + 0 0 70 -3,-0.8 2,-0.3 -4,-0.4 -3,-0.2 0.796 49.0 164.7 61.1 34.6 9.6 73.3 14.1 284 12 B V < - 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