==== 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 LIGASE 17-MAY-07 2PZB . COMPND 2 MOLECULE: NH(3)-DEPENDENT NAD(+) SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR H.M.MCDONALD,P.S.PRUETT,C.DEIVANAYAGAM,I.I.PROTASEVICH,W.M.C . 996 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44052.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 686 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 6.4 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 . 26 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 490 49.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 3.2 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 4 0 0 6 4 6 0 2 2 2 5 0 1 0 8 0 0 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 0 4 4 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 4 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 0 139 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 144.8 41.1 -15.4 95.6 2 2 A T > - 0 0 73 1,-0.1 4,-2.0 4,-0.0 3,-0.4 -0.415 360.0-109.1 -71.5 156.0 42.6 -12.6 93.5 3 3 A L H > S+ 0 0 47 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.893 121.2 57.3 -55.3 -38.5 43.8 -9.7 95.5 4 4 A Q H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.906 107.0 47.6 -58.4 -42.1 40.9 -7.6 94.2 5 5 A E H > S+ 0 0 31 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.843 110.8 51.5 -68.5 -33.8 38.5 -10.2 95.5 6 6 A Q H X S+ 0 0 91 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.921 110.6 48.9 -68.5 -43.4 40.2 -10.3 98.9 7 7 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.941 110.5 49.8 -61.3 -49.3 40.0 -6.5 99.1 8 8 A M H X>S+ 0 0 2 -4,-2.4 5,-1.7 1,-0.2 4,-0.9 0.913 112.7 47.7 -57.1 -43.9 36.3 -6.4 98.2 9 9 A K H <5S+ 0 0 150 -4,-2.0 3,-0.2 1,-0.2 -1,-0.2 0.891 112.4 49.1 -65.1 -39.2 35.5 -9.0 100.8 10 10 A A H <5S+ 0 0 52 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.868 118.6 38.6 -68.2 -36.8 37.6 -7.2 103.5 11 11 A L H <5S- 0 0 14 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.464 105.7-127.4 -92.8 -2.8 35.9 -3.8 102.7 12 12 A H T <5 + 0 0 129 -4,-0.9 2,-0.3 -3,-0.2 -3,-0.2 0.782 51.3 158.8 61.4 31.0 32.4 -5.4 102.2 13 13 A V < - 0 0 7 -5,-1.7 -1,-0.2 -6,-0.2 170,-0.1 -0.664 27.7-151.1 -87.4 140.1 32.0 -3.8 98.8 14 14 A Q - 0 0 94 168,-0.5 3,-0.1 -2,-0.3 746,-0.1 -0.875 15.5-136.5-111.3 144.1 29.5 -5.3 96.3 15 15 A P S S+ 0 0 11 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.840 94.3 26.1 -65.6 -34.0 29.7 -5.1 92.5 16 16 A V S S- 0 0 74 -3,-0.0 2,-0.3 2,-0.0 973,-0.0 -0.997 72.8-176.1-134.8 131.2 26.0 -4.3 92.2 17 17 A I - 0 0 34 -2,-0.4 3,-0.1 -3,-0.1 0, 0.0 -0.864 25.4-135.7-125.1 160.8 23.7 -2.7 94.7 18 18 A D > - 0 0 95 -2,-0.3 4,-2.8 1,-0.2 3,-0.3 -0.944 18.3-152.8-114.3 103.1 20.0 -1.9 94.9 19 19 A P H > S+ 0 0 33 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.869 93.4 48.0 -43.4 -52.3 19.8 1.7 96.3 20 20 A K H > S+ 0 0 131 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.912 115.3 45.6 -59.3 -42.5 16.4 1.3 97.9 21 21 A A H > S+ 0 0 50 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.858 111.6 52.9 -68.9 -35.1 17.5 -1.9 99.5 22 22 A E H X S+ 0 0 8 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.929 110.1 47.2 -64.9 -45.8 20.8 -0.3 100.6 23 23 A I H X S+ 0 0 21 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.908 113.7 49.5 -60.2 -42.6 18.9 2.5 102.3 24 24 A R H X S+ 0 0 97 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.929 112.4 46.7 -61.7 -48.5 16.6 0.0 103.9 25 25 A K H X S+ 0 0 98 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.887 115.4 45.2 -63.0 -41.8 19.5 -2.1 105.2 26 26 A R H X S+ 0 0 16 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.846 110.9 51.5 -75.6 -32.0 21.4 0.9 106.5 27 27 A V H X S+ 0 0 2 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.866 113.0 48.0 -69.5 -33.9 18.4 2.5 108.2 28 28 A D H X S+ 0 0 57 -4,-1.9 4,-3.1 -5,-0.2 -2,-0.2 0.887 107.1 55.3 -70.6 -40.3 17.8 -0.9 109.9 29 29 A F H X S+ 0 0 82 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.922 111.7 44.8 -56.1 -45.8 21.4 -1.1 110.9 30 30 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.920 113.6 48.5 -65.2 -47.2 21.0 2.3 112.6 31 31 A K H X S+ 0 0 11 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.896 111.2 51.7 -61.7 -40.2 17.7 1.4 114.2 32 32 A D H X S+ 0 0 83 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.881 107.7 50.4 -66.1 -38.7 19.1 -1.9 115.5 33 33 A Y H X S+ 0 0 67 -4,-1.8 4,-2.1 -5,-0.2 6,-0.3 0.885 107.0 54.8 -68.6 -35.9 22.2 -0.4 117.1 34 34 A V H X>S+ 0 0 7 -4,-1.8 4,-1.8 1,-0.2 5,-0.9 0.949 112.2 44.3 -58.8 -48.0 20.0 2.1 118.9 35 35 A K H <5S+ 0 0 114 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.929 112.4 51.0 -63.2 -47.1 18.0 -0.7 120.4 36 36 A K H <5S+ 0 0 162 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.835 117.9 37.8 -61.4 -35.3 21.0 -2.9 121.3 37 37 A T H <5S- 0 0 15 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.691 102.1-124.7 -90.9 -22.0 22.8 -0.1 123.2 38 38 A G T <5 + 0 0 55 -4,-1.8 -3,-0.2 -5,-0.2 -4,-0.1 0.609 56.4 156.0 85.5 11.4 19.8 1.6 124.8 39 39 A A < - 0 0 7 -5,-0.9 -1,-0.2 -6,-0.3 112,-0.2 -0.266 48.4-133.5 -70.1 160.5 20.8 4.9 123.2 40 40 A K - 0 0 95 110,-3.2 34,-1.6 1,-0.2 2,-0.3 0.298 66.4 -69.7 -96.7 4.2 18.2 7.7 122.6 41 41 A G E -a 74 0A 0 109,-0.4 111,-3.0 32,-0.3 2,-0.3 -0.986 62.9 -55.3 144.9-153.1 19.3 8.4 119.1 42 42 A F E -ab 75 152A 0 32,-1.8 34,-2.5 -2,-0.3 2,-0.3 -0.876 21.0-159.5-133.5 162.2 22.2 9.9 117.1 43 43 A V E +ab 76 153A 0 109,-2.3 111,-2.3 -2,-0.3 2,-0.3 -0.984 18.6 176.1-136.2 140.8 24.4 13.0 116.7 44 44 A L E -a 77 0A 3 32,-1.8 34,-2.6 -2,-0.3 2,-0.4 -0.980 31.3-122.3-151.2 138.0 26.5 13.8 113.6 45 45 A G E -a 78 0A 13 109,-0.4 2,-0.6 -2,-0.3 34,-0.2 -0.677 26.6-150.5 -79.5 127.6 28.7 16.6 112.4 46 46 A I + 0 0 2 32,-2.9 34,-0.4 -2,-0.4 47,-0.1 -0.898 27.0 162.8-104.0 114.9 27.4 18.0 109.1 47 47 A S - 0 0 78 -2,-0.6 42,-0.3 2,-0.2 -1,-0.1 0.560 59.7-105.4-107.3 -13.9 30.1 19.4 106.9 48 48 A G S S+ 0 0 6 1,-0.4 2,-0.1 41,-0.2 -2,-0.1 0.296 79.7 134.3 100.4 -7.2 28.4 19.6 103.5 49 49 A G > - 0 0 29 1,-0.1 4,-2.0 153,-0.0 -1,-0.4 -0.410 68.8-115.3 -74.7 153.7 30.5 16.6 102.5 50 50 A Q H > S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.893 110.7 53.8 -55.9 -44.8 28.8 13.8 100.7 51 51 A D H > S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.918 112.4 40.6 -59.8 -48.8 29.4 11.2 103.4 52 52 A S H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.818 112.4 57.0 -72.2 -28.8 27.8 13.2 106.3 53 53 A T H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.946 114.1 38.5 -64.9 -46.7 25.0 14.4 104.0 54 54 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.946 118.0 47.8 -67.9 -49.9 24.0 10.7 103.3 55 55 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.851 111.0 53.3 -60.2 -35.5 24.7 9.4 106.8 56 56 A G H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.900 108.7 47.5 -67.4 -41.5 22.7 12.3 108.2 57 57 A R H X S+ 0 0 52 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.906 110.7 52.2 -67.1 -39.8 19.6 11.6 106.1 58 58 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.886 109.2 50.9 -63.2 -37.1 19.8 8.0 107.0 59 59 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.889 109.3 49.7 -67.5 -39.7 19.9 8.9 110.6 60 60 A Q H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.910 111.3 48.7 -65.9 -41.4 16.8 11.2 110.3 61 61 A L H X S+ 0 0 36 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.909 110.6 53.6 -64.0 -40.3 14.8 8.5 108.5 62 62 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.910 110.1 43.6 -61.6 -47.4 15.9 6.0 111.2 63 63 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.870 112.3 54.2 -69.6 -33.2 14.7 8.1 114.2 64 64 A E H X S+ 0 0 61 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.911 109.7 47.8 -65.0 -40.0 11.5 8.9 112.4 65 65 A E H X S+ 0 0 42 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.894 110.4 51.5 -66.4 -40.8 10.8 5.2 111.9 66 66 A I H <>S+ 0 0 11 -4,-2.1 5,-2.9 1,-0.2 3,-0.3 0.921 112.7 45.1 -61.9 -44.7 11.5 4.5 115.5 67 67 A R H ><5S+ 0 0 92 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.887 109.7 55.7 -66.7 -37.8 9.1 7.2 116.7 68 68 A N H 3<5S+ 0 0 136 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.763 105.5 53.5 -64.8 -24.6 6.6 5.9 114.1 69 69 A E T 3<5S- 0 0 116 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.294 129.4 -96.5 -92.6 8.2 6.9 2.5 115.7 70 70 A G T < 5S+ 0 0 68 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.534 86.5 120.1 90.8 7.2 6.1 3.9 119.2 71 71 A G < - 0 0 29 -5,-2.9 2,-0.5 -6,-0.2 -1,-0.3 -0.325 64.2-109.4 -96.7-177.9 9.7 4.3 120.3 72 72 A N + 0 0 130 -2,-0.1 2,-0.3 -3,-0.1 -5,-0.0 -0.963 47.9 145.5-116.6 122.3 11.8 7.3 121.5 73 73 A A - 0 0 4 -2,-0.5 2,-0.3 -10,-0.1 -32,-0.3 -0.986 20.3-172.3-155.5 145.9 14.6 8.5 119.2 74 74 A T E -a 41 0A 50 -34,-1.6 -32,-1.8 -2,-0.3 2,-0.5 -0.989 10.5-151.9-140.3 146.6 16.2 11.9 118.3 75 75 A F E -a 42 0A 0 -2,-0.3 25,-1.6 -34,-0.2 2,-0.6 -0.981 8.1-167.8-123.6 125.5 18.7 13.1 115.8 76 76 A I E -ac 43 100A 1 -34,-2.5 -32,-1.8 -2,-0.5 2,-0.4 -0.954 3.7-163.9-114.7 118.0 20.9 16.1 116.4 77 77 A A E -ac 44 101A 0 23,-2.9 25,-2.6 -2,-0.6 2,-0.4 -0.839 9.8-163.1 -97.6 135.7 22.9 17.4 113.4 78 78 A V E -ac 45 102A 0 -34,-2.6 -32,-2.9 -2,-0.4 2,-0.5 -0.982 12.8-150.9-128.2 131.2 25.7 19.8 114.3 79 79 A R E - c 0 103A 64 23,-2.9 25,-2.6 -2,-0.4 -32,-0.1 -0.844 12.4-166.2 -94.9 130.8 27.6 22.2 112.1 80 80 A L + 0 0 14 -2,-0.5 25,-0.1 -34,-0.4 23,-0.1 -0.506 13.1 175.4-121.6 66.5 31.1 22.7 113.3 81 81 A P - 0 0 20 0, 0.0 25,-2.6 0, 0.0 2,-0.8 -0.331 29.5-140.8 -71.5 150.9 32.6 25.7 111.5 82 82 A Y S S- 0 0 39 23,-0.2 2,-3.0 24,-0.2 23,-0.1 -0.924 80.5 -50.9-108.1 98.3 36.1 27.1 112.3 83 83 A K 0 0 108 -2,-0.8 22,-0.1 1,-0.3 25,-0.0 -0.341 360.0 360.0 69.1 -66.3 35.3 30.8 112.1 84 84 A V 0 0 151 -2,-3.0 -1,-0.3 21,-0.0 0, 0.0 0.416 360.0 360.0-145.3 360.0 33.7 30.4 108.7 85 ! 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 86 88 A E > 0 0 138 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 163.6 29.5 27.2 104.0 87 89 A D H > + 0 0 98 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.727 360.0 62.4 -76.8 -21.8 26.5 27.0 101.8 88 90 A D H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 103.0 48.8 -68.4 -40.3 27.2 23.3 101.2 89 91 A A H > S+ 0 0 5 -42,-0.3 4,-2.2 2,-0.2 -41,-0.2 0.900 112.8 47.7 -65.5 -41.8 26.6 22.6 104.9 90 92 A Q H X S+ 0 0 72 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.916 110.4 51.5 -65.5 -43.4 23.4 24.6 104.8 91 93 A L H X S+ 0 0 14 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.883 109.8 50.8 -61.3 -37.7 22.2 22.9 101.7 92 94 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 3,-0.3 0.917 107.8 51.9 -66.9 -42.3 22.9 19.6 103.4 93 95 A L H X S+ 0 0 20 -4,-2.2 4,-2.4 1,-0.2 5,-0.4 0.870 106.6 54.1 -62.3 -35.7 20.9 20.6 106.5 94 96 A Q H < S+ 0 0 122 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.820 112.4 44.6 -67.4 -29.9 18.0 21.5 104.3 95 97 A F H < S+ 0 0 30 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.890 114.7 47.4 -79.0 -41.6 18.1 18.0 102.8 96 98 A I H < S- 0 0 0 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.887 80.8-163.6 -68.2 -42.2 18.5 16.2 106.1 97 99 A Q < - 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0 0 10 -3,-2.1 -23,-0.7 -170,-0.1 -1,-0.3 -0.703 56.4-142.1 -93.7 141.6 29.8 1.7 100.1 184 186 A T > - 0 0 4 -2,-0.3 4,-1.9 -24,-0.1 5,-0.2 -0.440 33.8-102.5 -88.1 172.4 32.1 3.3 97.6 185 187 A K H > S+ 0 0 32 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.907 123.5 47.4 -62.8 -41.1 31.9 7.1 97.0 186 188 A R H > S+ 0 0 54 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.850 109.0 52.9 -72.3 -31.3 30.0 6.6 93.8 187 189 A Q H > S+ 0 0 10 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.869 106.7 54.1 -69.2 -33.2 27.6 4.1 95.3 188 190 A G H X S+ 0 0 4 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.872 103.4 56.4 -65.1 -35.2 26.9 6.6 98.0 189 191 A R H X S+ 0 0 60 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.880 104.1 53.6 -61.7 -38.4 26.1 9.0 95.2 190 192 A A H X S+ 0 0 28 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.882 107.8 49.7 -65.3 -39.5 23.5 6.5 94.0 191 193 A L H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.933 108.6 52.0 -65.9 -44.6 21.9 6.4 97.4 192 194 A L H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 4,-0.3 0.855 108.7 51.9 -59.9 -35.5 21.7 10.2 97.6 193 195 A Q H ><5S+ 0 0 114 -4,-1.8 3,-1.7 1,-0.2 -1,-0.2 0.939 108.6 49.6 -65.4 -47.6 20.0 10.3 94.2 194 196 A E H 3<5S+ 0 0 82 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.833 108.5 54.4 -59.5 -32.6 17.4 7.7 95.3 195 197 A L T 3<5S- 0 0 38 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.507 116.2-117.8 -80.6 -5.0 16.8 9.9 98.4 196 198 A G T < 5 + 0 0 61 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.726 50.3 170.9 76.7 24.3 16.1 12.9 96.2 197 199 A A < - 0 0 8 -5,-2.5 -1,-0.2 1,-0.1 2,-0.1 -0.328 47.8 -91.0 -67.6 148.2 19.0 15.0 97.3 198 200 A D > - 0 0 62 -107,-0.2 3,-3.1 1,-0.2 4,-0.2 -0.411 37.5-125.3 -57.8 127.7 19.8 18.2 95.4 199 201 A E G > S+ 0 0 126 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.775 107.6 70.3 -49.1 -29.5 22.3 17.1 92.8 200 202 A R G 3 S+ 0 0 137 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.702 84.6 70.3 -63.2 -18.2 24.7 19.8 94.1 201 203 A L G < S+ 0 0 7 -3,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.478 115.4 22.0 -78.3 -1.9 25.1 17.7 97.2 202 204 A Y < 0 0 36 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.152 360.0 360.0-151.0 23.7 27.1 15.2 95.2 203 205 A L 0 0 148 -3,-0.5 -3,-0.1 -4,-0.2 -4,-0.0 -0.492 360.0 360.0-145.6 360.0 28.4 17.0 92.1 204 ! 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 0.0 205 227 A I 0 0 55 0, 0.0 2,-0.1 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 157.8 44.5 7.4 90.7 206 228 A T > - 0 0 73 1,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.424 360.0-104.0 -98.9 174.9 41.1 9.0 90.7 207 229 A Y H > S+ 0 0 72 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.908 120.7 52.1 -65.6 -41.4 37.9 8.2 92.6 208 230 A D H > S+ 0 0 82 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.899 112.6 43.7 -62.5 -42.4 36.4 6.7 89.5 209 231 A Q H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 117.4 46.2 -67.6 -46.6 39.3 4.4 88.8 210 232 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.877 113.4 48.7 -63.7 -39.5 39.6 3.5 92.4 211 233 A D H X S+ 0 0 0 -4,-3.2 4,-1.7 2,-0.2 -1,-0.2 0.799 107.1 55.9 -73.5 -26.8 35.8 2.9 92.7 212 234 A D H <>S+ 0 0 43 -4,-1.6 5,-2.7 -5,-0.2 -2,-0.2 0.950 111.5 44.8 -66.2 -45.4 35.8 0.8 89.5 213 235 A Y H ><5S+ 0 0 4 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.929 113.8 47.8 -62.3 -48.6 38.4 -1.4 91.2 214 236 A L H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.792 107.8 56.8 -65.3 -28.6 36.7 -1.6 94.5 215 237 A E T 3<5S- 0 0 7 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.276 120.5-108.1 -86.6 11.8 33.4 -2.5 92.8 216 238 A G T < 5 + 0 0 1 -3,-1.6 545,-2.3 1,-0.2 546,-0.6 0.657 69.9 145.7 74.0 15.9 35.0 -5.4 91.1 217 239 A K < - 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0 0 29 -5,-3.2 2,-0.5 -6,-0.2 -1,-0.3 -0.324 62.9-110.0 -97.9-177.0 70.1 5.6 116.0 326 72 B N + 0 0 145 -2,-0.1 2,-0.3 2,-0.0 -5,-0.0 -0.969 48.7 142.7-117.6 124.3 68.0 8.8 116.4 327 73 B A - 0 0 4 -2,-0.5 2,-0.3 -10,-0.1 -32,-0.3 -0.971 22.6-170.1-160.4 147.0 65.2 8.7 119.0 328 74 B T E -e 295 0C 49 -34,-1.6 -32,-1.9 -2,-0.3 2,-0.5 -0.984 10.0-152.0-139.5 145.9 63.6 11.1 121.5 329 75 B F E -e 296 0C 0 -2,-0.3 24,-1.6 -34,-0.2 23,-0.6 -0.984 9.1-167.8-123.7 124.2 61.1 10.7 124.3 330 76 B I E -eg 297 353C 2 -34,-2.4 -32,-1.7 -2,-0.5 2,-0.4 -0.947 3.3-163.8-114.0 116.4 58.9 13.6 125.4 331 77 B A E -eg 298 354C 0 22,-3.0 24,-2.7 -2,-0.6 2,-0.4 -0.806 9.3-163.6 -96.0 135.8 56.9 13.2 128.6 332 78 B V E -eg 299 355C 0 -34,-2.5 -32,-3.1 -2,-0.4 2,-0.5 -0.983 12.9-151.3-129.3 132.2 54.0 15.6 129.1 333 79 B R E - g 0 356C 50 22,-3.0 24,-2.8 -2,-0.4 -32,-0.1 -0.856 12.3-167.0 -96.3 131.1 52.2 16.5 132.3 334 80 B L + 0 0 9 -2,-0.5 24,-0.2 -34,-0.4 2,-0.1 -0.592 12.7 174.9-124.0 70.4 48.6 17.5 131.5 335 81 B P - 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0 0 85 -5,-2.9 2,-0.4 -6,-0.2 -1,-0.2 -0.427 58.2-100.9 -87.3 165.5 38.3 -16.1 81.0 975 240 D T + 0 0 139 -2,-0.1 -1,-0.1 6,-0.0 -5,-0.1 -0.733 43.1 176.0 -89.8 132.4 40.5 -13.1 80.8 976 241 D V - 0 0 22 -2,-0.4 5,-0.1 1,-0.1 -10,-0.0 -0.844 43.3 -68.7-128.1 165.7 40.0 -10.7 77.9 977 242 D P > - 0 0 66 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.216 47.3-117.1 -55.7 146.5 41.5 -7.4 77.0 978 243 D A H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.881 112.9 53.1 -51.2 -47.1 40.6 -4.5 79.4 979 244 D D H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.860 110.6 48.1 -60.0 -37.3 38.8 -2.5 76.7 980 245 D V H > S+ 0 0 3 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.950 111.3 48.4 -68.1 -50.1 36.7 -5.4 75.8 981 246 D A H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.864 109.5 55.5 -58.2 -36.8 35.7 -6.3 79.3 982 247 D E H X S+ 0 0 81 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.898 106.1 48.9 -64.8 -42.1 34.9 -2.6 79.9 983 248 D K H X S+ 0 0 105 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.931 114.4 47.0 -63.3 -44.3 32.4 -2.5 77.0 984 249 D I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.933 113.6 46.0 -63.7 -48.2 30.7 -5.6 78.2 985 250 D E H X S+ 0 0 6 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.902 112.9 49.9 -64.4 -40.0 30.5 -4.5 81.8 986 251 D K H X S+ 0 0 160 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.919 111.8 49.2 -64.1 -41.8 29.2 -1.1 80.9 987 252 D R H X S+ 0 0 87 -4,-2.2 4,-1.1 -5,-0.2 3,-0.4 0.938 111.1 48.8 -61.9 -47.6 26.6 -2.7 78.7 988 253 D Y H < S+ 0 0 20 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.872 107.3 57.5 -59.8 -38.2 25.5 -5.0 81.4 989 254 D T H < S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.846 97.7 61.3 -62.3 -37.7 25.3 -2.1 83.9 990 255 D V H < 0 0 85 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.959 360.0 360.0 -55.6 -58.0 22.8 -0.2 81.7 991 256 D S < 0 0 42 -4,-1.1 5,-0.1 -70,-0.2 6,-0.1 -0.267 360.0 360.0 -53.5 360.0 20.0 -2.8 81.8 992 ! 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 0.0 993 264 D A >> 0 0 74 0, 0.0 4,-0.9 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 -84.0 17.3 -12.4 83.5 994 265 D S H 3> + 0 0 51 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.847 360.0 70.1 -61.7 -35.5 15.0 -12.1 80.5 995 266 D M H 3> S+ 0 0 151 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.856 95.5 55.9 -50.2 -37.6 13.9 -8.6 81.6 996 267 D F H X> S+ 0 0 52 -3,-0.9 4,-1.4 1,-0.2 3,-0.7 0.963 107.6 46.5 -59.4 -53.6 17.4 -7.6 80.6 997 268 D D H 3X S+ 0 0 0 -4,-0.9 4,-1.9 1,-0.3 3,-0.3 0.897 107.6 57.1 -57.3 -43.5 17.0 -8.9 77.1 998 269 D D H 3X S+ 0 0 66 -4,-2.6 4,-1.8 1,-0.2 -1,-0.3 0.811 102.3 56.1 -60.6 -29.6 13.6 -7.2 76.8 999 270 D W H