==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-JUN-00 1F5V . COMPND 2 MOLECULE: OXYGEN-INSENSITIVE NADPH NITROREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.KOBORI,H.SASAKI,W.C.LEE,S.ZENNO,K.SAIGO,M.E.P.MURPHY, . 480 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 10.0 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 . 25 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 4 0 2 6 0 2 2 0 2 0 0 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 PARALLEL BRIDGES PER LADDER . 2 0 0 0 4 0 0 2 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 1 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 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 0 115 0, 0.0 266,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -17.2 -20.5 -1.3 10.8 2 2 A T > - 0 0 21 1,-0.1 4,-2.6 268,-0.1 5,-0.2 -0.913 360.0-107.5-134.7 160.7 -21.0 -0.2 7.2 3 3 A P H > S+ 0 0 114 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.870 121.7 52.6 -57.7 -34.0 -21.4 -2.1 3.9 4 4 A T H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.897 109.5 46.8 -68.8 -40.9 -17.9 -0.9 3.0 5 5 A I H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.902 111.2 51.5 -68.2 -39.1 -16.3 -2.2 6.2 6 6 A E H X S+ 0 0 138 -4,-2.6 4,-0.7 2,-0.2 -2,-0.2 0.914 111.2 50.0 -61.8 -41.9 -18.2 -5.5 5.9 7 7 A L H >< S+ 0 0 45 -4,-2.0 3,-1.3 -5,-0.2 4,-0.3 0.959 111.1 46.9 -59.5 -55.0 -16.8 -5.8 2.3 8 8 A I H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.919 113.6 48.5 -54.6 -46.7 -13.2 -5.0 3.4 9 9 A C H 3< S+ 0 0 43 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.565 104.2 61.3 -73.5 -8.1 -13.5 -7.6 6.3 10 10 A G T << S+ 0 0 33 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.364 77.9 135.4 -98.0 4.5 -14.9 -10.2 4.0 11 11 A H < + 0 0 17 -3,-1.3 2,-0.3 -4,-0.3 -3,-0.1 -0.219 24.2 169.5 -59.3 138.4 -11.8 -10.3 1.8 12 12 A R - 0 0 81 154,-0.1 114,-0.5 114,-0.1 2,-0.3 -0.978 40.7-109.5-143.5 140.6 -10.2 -13.6 0.6 13 13 A S B -a 126 0A 27 -2,-0.3 2,-0.5 112,-0.1 114,-0.2 -0.608 34.7-149.0 -73.8 131.1 -7.5 -13.8 -2.0 14 14 A I + 0 0 3 112,-2.1 142,-0.1 -2,-0.3 3,-0.1 -0.902 25.0 171.0-106.5 129.3 -9.1 -15.4 -5.1 15 15 A R + 0 0 106 -2,-0.5 2,-0.4 1,-0.1 -1,-0.1 0.266 61.3 64.4-121.7 10.0 -6.9 -17.6 -7.4 16 16 A H + 0 0 97 142,-0.1 145,-2.4 56,-0.1 2,-0.3 -0.989 62.3 179.5-136.5 125.5 -9.4 -19.1 -9.8 17 17 A F B -F 160 0B 6 -2,-0.4 2,-0.1 143,-0.2 56,-0.0 -0.866 26.0-119.5-126.4 158.5 -11.4 -17.0 -12.2 18 18 A T - 0 0 48 141,-2.2 141,-0.2 -2,-0.3 56,-0.1 -0.335 35.9-107.7 -84.6 174.3 -14.0 -17.5 -14.9 19 19 A D S S+ 0 0 157 -2,-0.1 -1,-0.1 139,-0.1 54,-0.0 0.355 80.5 115.5 -88.0 7.7 -13.3 -16.5 -18.5 20 20 A E - 0 0 98 139,-0.1 139,-0.6 1,-0.1 54,-0.2 -0.583 61.4-128.1 -82.6 139.2 -15.6 -13.5 -18.5 21 21 A P - 0 0 95 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.201 15.2-110.1 -77.3 169.6 -14.0 -10.0 -18.9 22 22 A I - 0 0 8 52,-0.1 5,-0.0 135,-0.1 135,-0.0 -0.903 43.6-116.8-100.1 126.3 -14.3 -6.9 -16.8 23 23 A S > - 0 0 54 -2,-0.5 4,-2.7 1,-0.1 5,-0.2 -0.141 18.6-112.7 -62.1 160.9 -16.2 -4.3 -18.8 24 24 A E H > S+ 0 0 123 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.917 118.9 50.3 -59.2 -45.2 -14.6 -1.0 -19.9 25 25 A A H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.899 111.2 48.4 -62.2 -41.4 -16.9 0.9 -17.6 26 26 A Q H > S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.928 111.1 49.3 -65.9 -43.7 -16.1 -1.3 -14.7 27 27 A R H X S+ 0 0 40 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.901 109.4 53.6 -61.7 -39.2 -12.3 -1.1 -15.3 28 28 A E H X S+ 0 0 123 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.909 108.0 50.0 -60.2 -42.9 -12.7 2.7 -15.5 29 29 A A H X S+ 0 0 9 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.883 112.6 46.6 -63.4 -40.6 -14.4 2.7 -12.1 30 30 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.926 114.1 47.1 -68.0 -45.2 -11.7 0.6 -10.6 31 31 A I H X S+ 0 0 10 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.871 109.4 54.3 -65.3 -36.8 -8.9 2.7 -12.1 32 32 A N H X S+ 0 0 50 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.877 106.2 52.4 -64.4 -35.3 -10.7 5.9 -10.9 33 33 A S H < S+ 0 0 0 -4,-1.5 4,-0.3 2,-0.2 -1,-0.2 0.909 109.8 48.7 -65.7 -40.4 -10.7 4.5 -7.4 34 34 A A H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.922 110.0 52.0 -63.1 -44.1 -7.0 3.9 -7.7 35 35 A R H 3< S+ 0 0 59 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.847 101.2 62.3 -60.9 -33.2 -6.6 7.5 -9.0 36 36 A A T 3< S+ 0 0 14 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.514 79.0 118.8 -71.9 -6.5 -8.5 8.8 -6.0 37 37 A T S < S- 0 0 4 -3,-1.5 74,-0.1 -4,-0.3 -3,-0.0 -0.271 76.1 -97.6 -62.5 146.7 -5.8 7.5 -3.6 38 38 A S - 0 0 14 215,-0.1 2,-0.4 72,-0.1 -1,-0.1 -0.208 39.9-149.2 -57.7 156.9 -4.0 10.0 -1.4 39 39 A S > - 0 0 26 -3,-0.1 3,-2.3 5,-0.1 2,-0.2 -0.978 16.1-115.7-139.9 123.9 -0.6 11.0 -2.8 40 40 A S G > S- 0 0 31 -2,-0.4 3,-2.3 1,-0.3 4,-0.2 -0.370 99.8 -15.3 -58.6 121.2 2.6 12.0 -0.8 41 41 A S G 3 S- 0 0 76 1,-0.3 -1,-0.3 -2,-0.2 419,-0.0 0.756 114.1 -82.1 53.6 24.9 3.4 15.7 -1.6 42 42 A F G < S+ 0 0 11 -3,-2.3 -1,-0.3 1,-0.1 -2,-0.2 0.839 92.2 143.2 47.0 39.4 1.0 15.2 -4.5 43 43 A L < - 0 0 9 -3,-2.3 -2,-0.1 417,-0.0 -1,-0.1 0.698 43.9-154.6 -78.1 -19.3 3.9 13.6 -6.3 44 44 A Q + 0 0 20 1,-0.2 2,-0.2 -4,-0.2 -5,-0.1 0.929 26.4 168.8 38.5 67.3 1.5 11.1 -8.0 45 45 A C + 0 0 1 -5,-0.1 37,-3.2 58,-0.1 2,-0.3 -0.279 29.7 103.3-105.1 45.3 4.4 8.7 -8.4 46 46 A S E -B 81 0A 6 35,-0.3 2,-0.3 -2,-0.2 35,-0.2 -0.924 42.1-171.5-127.4 153.4 2.7 5.4 -9.4 47 47 A S E -B 80 0A 0 33,-2.4 33,-3.0 -2,-0.3 2,-0.5 -0.996 10.3-152.1-142.6 142.4 2.2 3.6 -12.7 48 48 A I E -Bc 79 417A 0 368,-2.7 370,-2.9 -2,-0.3 2,-0.8 -0.971 6.3-153.2-117.8 124.3 0.1 0.6 -13.6 49 49 A I E -Bc 78 418A 0 29,-2.7 29,-2.4 -2,-0.5 2,-0.7 -0.869 12.6-154.6 -98.5 109.5 1.1 -1.7 -16.4 50 50 A R E -Bc 77 419A 37 368,-3.1 370,-3.2 -2,-0.8 2,-0.8 -0.765 6.6-149.4 -87.3 118.0 -2.0 -3.3 -17.8 51 51 A I + 0 0 0 25,-2.2 25,-0.4 -2,-0.7 368,-0.1 -0.779 36.9 149.0 -93.5 107.6 -1.2 -6.7 -19.4 52 52 A T + 0 0 52 -2,-0.8 2,-0.6 23,-0.1 -1,-0.2 0.548 43.5 101.5-109.3 -14.5 -3.5 -7.5 -22.3 53 53 A D > - 0 0 68 1,-0.2 4,-2.2 2,-0.0 3,-0.3 -0.636 62.4-152.3 -76.6 116.5 -1.0 -9.4 -24.4 54 54 A K H > S+ 0 0 158 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.866 95.9 53.1 -56.8 -40.7 -1.7 -13.2 -23.9 55 55 A A H > S+ 0 0 69 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.882 108.8 50.7 -63.5 -37.9 1.9 -14.1 -24.6 56 56 A L H > S+ 0 0 28 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.921 108.4 52.3 -64.1 -44.5 3.0 -11.6 -21.9 57 57 A R H X S+ 0 0 20 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.917 109.4 49.3 -57.8 -46.1 0.5 -13.2 -19.5 58 58 A E H X S+ 0 0 97 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.870 110.6 49.1 -63.9 -38.5 1.9 -16.7 -20.1 59 59 A E H X S+ 0 0 85 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.860 110.1 52.9 -69.3 -32.8 5.5 -15.5 -19.6 60 60 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 7,-0.3 0.804 101.2 59.7 -71.5 -28.6 4.4 -13.8 -16.4 61 61 A V H <>S+ 0 0 12 -4,-1.6 5,-2.3 2,-0.2 6,-1.2 0.949 110.7 42.5 -61.9 -45.7 2.9 -17.1 -15.2 62 62 A T H ><5S+ 0 0 91 -4,-1.5 3,-1.5 4,-0.2 -2,-0.2 0.928 113.7 50.4 -65.1 -47.6 6.3 -18.6 -15.5 63 63 A L H 3<5S+ 0 0 16 -4,-2.4 72,-0.3 1,-0.3 -1,-0.2 0.761 106.0 56.5 -64.6 -26.2 8.2 -15.7 -14.0 64 64 A T T 3<5S- 0 0 1 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.255 132.0 -86.9 -90.6 12.7 5.9 -15.5 -11.0 65 65 A G T < 5S- 0 0 60 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.2 0.720 80.5 -54.9 92.1 23.3 6.6 -19.1 -10.0 66 66 A G S - 0 0 52 -6,-1.2 3,-1.8 -7,-0.3 4,-0.3 -0.704 17.8-170.6 -86.2 97.2 1.0 -19.0 -10.9 68 68 A K T >> S+ 0 0 145 -2,-1.2 4,-2.1 1,-0.3 3,-1.6 0.730 75.7 75.2 -61.0 -25.2 -1.6 -19.7 -13.6 69 69 A H H 3> S+ 0 0 23 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.719 82.3 71.8 -62.0 -17.2 -4.1 -17.3 -12.2 70 70 A V H <4 S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.853 110.0 30.3 -65.4 -33.7 -1.9 -14.6 -13.7 71 71 A A H <4 S+ 0 0 22 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 0.772 118.5 55.5 -94.2 -30.4 -3.1 -15.7 -17.1 72 72 A Q H < S+ 0 0 80 -4,-2.1 -2,-0.2 -57,-0.1 -3,-0.2 0.833 86.2 96.3 -72.3 -33.7 -6.6 -16.9 -16.1 73 73 A A S < S- 0 0 3 -4,-2.2 85,-0.2 -5,-0.2 3,-0.1 -0.228 80.1-128.1 -58.4 145.6 -7.6 -13.6 -14.5 74 74 A A S S+ 0 0 23 83,-0.5 2,-0.4 -54,-0.2 84,-0.2 0.906 96.5 22.0 -59.9 -41.1 -9.6 -11.2 -16.7 75 75 A E E - D 0 157A 11 82,-2.7 82,-2.4 -54,-0.1 2,-0.4 -0.961 60.9-174.0-131.1 145.1 -7.1 -8.5 -15.7 76 76 A F E - D 0 156A 0 -25,-0.4 -25,-2.2 -2,-0.4 2,-0.4 -0.928 14.6-175.6-138.7 111.8 -3.5 -8.6 -14.5 77 77 A W E -BD 50 155A 2 78,-2.2 78,-1.6 -2,-0.4 2,-0.6 -0.897 17.5-146.2-113.5 140.3 -1.9 -5.3 -13.5 78 78 A V E -BD 49 154A 0 -29,-2.4 -29,-2.7 -2,-0.4 2,-0.5 -0.909 16.2-147.9-105.9 116.3 1.6 -4.6 -12.5 79 79 A F E -BD 48 153A 0 74,-2.5 73,-2.8 -2,-0.6 74,-0.9 -0.722 20.6-177.6 -87.7 129.1 1.9 -1.8 -9.9 80 80 A C E -BD 47 151A 0 -33,-3.0 -33,-2.4 -2,-0.5 2,-0.3 -0.962 30.8-129.7-129.7 144.4 5.1 0.3 -10.0 81 81 A A E -BD 46 150A 0 69,-2.0 69,-2.5 -2,-0.4 2,-0.4 -0.702 39.1-161.3 -82.2 141.7 6.6 3.1 -8.1 82 82 A D E + D 0 149A 0 -37,-3.2 67,-0.2 -2,-0.3 4,-0.1 -0.898 41.8 148.0-142.0 112.2 7.5 5.7 -10.7 83 83 A F > + 0 0 5 65,-2.9 4,-1.5 -2,-0.4 66,-0.2 0.280 66.9 86.2-114.9 4.5 9.8 8.7 -10.7 84 84 A N H > S+ 0 0 23 64,-0.8 4,-2.3 2,-0.2 5,-0.2 0.887 85.5 59.3 -68.9 -37.0 10.8 8.3 -14.3 85 85 A R H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.914 106.0 47.9 -54.3 -43.7 7.7 10.5 -15.0 86 86 A H H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.831 107.7 53.6 -69.8 -33.4 9.3 13.2 -12.8 87 87 A L H < S+ 0 0 51 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.875 107.5 52.1 -69.3 -36.2 12.6 13.0 -14.6 88 88 A Q H < S+ 0 0 69 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.920 116.5 39.8 -63.0 -43.9 10.8 13.5 -17.9 89 89 A I H < S+ 0 0 7 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.848 129.9 29.4 -73.4 -36.3 9.1 16.6 -16.5 90 90 A C >< - 0 0 8 -4,-2.8 3,-2.7 -5,-0.1 -1,-0.3 -0.791 61.5-173.6-131.4 89.7 12.2 17.8 -14.6 91 91 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.752 89.4 58.3 -52.1 -25.3 15.6 16.8 -16.2 92 92 A D T 3 S+ 0 0 129 -3,-0.1 -5,-0.1 2,-0.1 -3,-0.0 0.271 78.6 146.8 -89.1 10.3 17.3 18.3 -13.1 93 93 A A < - 0 0 15 -3,-2.7 2,-0.9 -6,-0.2 369,-0.2 -0.150 49.4-132.5 -51.7 138.2 15.4 15.9 -10.7 94 94 A Q + 0 0 63 367,-2.6 3,-0.2 369,-0.2 2,-0.2 -0.842 43.8 165.2 -93.7 104.5 17.3 14.8 -7.6 95 95 A L + 0 0 22 -2,-0.9 3,-0.1 1,-0.1 142,-0.1 -0.583 36.6 61.7-117.7 179.2 16.7 11.0 -7.5 96 96 A G + 0 0 6 140,-0.3 144,-1.7 1,-0.3 143,-1.3 0.347 64.5 143.5 88.0 -6.2 18.1 7.9 -5.9 97 97 A L >> - 0 0 4 141,-0.2 3,-1.5 -3,-0.2 4,-0.9 -0.506 54.9-135.4 -71.8 130.7 17.1 9.1 -2.4 98 98 A A H >> S+ 0 0 1 142,-2.1 4,-2.2 1,-0.3 3,-0.8 0.838 104.9 65.9 -52.2 -35.8 15.9 6.2 -0.1 99 99 A E H 3> S+ 0 0 7 367,-0.3 4,-2.7 1,-0.3 -1,-0.3 0.868 98.1 52.4 -54.8 -39.8 13.1 8.6 1.0 100 100 A Q H <> S+ 0 0 17 -3,-1.5 4,-2.6 2,-0.2 -1,-0.3 0.780 105.8 55.0 -69.0 -25.9 11.7 8.4 -2.5 101 101 A L H <>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 3,-1.2 0.938 112.1 49.6 -58.7 -48.1 -12.9 -4.3 -7.6 120 120 A E H ><5S+ 0 0 20 -4,-3.2 3,-1.3 1,-0.3 -1,-0.2 0.841 104.0 60.1 -62.1 -31.4 -14.1 -6.4 -4.7 121 121 A S H 3<5S+ 0 0 24 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.747 101.4 54.9 -67.8 -23.1 -17.1 -4.0 -4.2 122 122 A L T <<5S- 0 0 29 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.508 128.1 -99.5 -85.9 -6.0 -18.2 -4.9 -7.8 123 123 A G T < 5S+ 0 0 39 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.471 80.2 137.9 99.7 4.5 -18.2 -8.6 -6.9 124 124 A L < - 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0 0 68 1,-0.2 4,-2.3 2,-0.1 3,-0.4 -0.591 62.6-151.7 -73.0 113.7 -1.0 10.4 25.4 295 54 B K H > S+ 0 0 160 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.850 96.5 53.2 -53.7 -39.7 -1.9 14.1 24.9 296 55 B A H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.881 108.3 50.5 -64.7 -38.8 1.8 15.1 25.6 297 56 B L H > S+ 0 0 28 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.909 107.9 53.1 -64.2 -44.1 2.9 12.7 22.9 298 57 B R H X S+ 0 0 20 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.937 109.4 48.9 -56.9 -48.6 0.4 14.2 20.4 299 58 B E H X S+ 0 0 97 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.877 110.9 48.9 -61.5 -39.3 1.8 17.6 21.1 300 59 B E H X S+ 0 0 84 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.872 110.9 52.0 -68.4 -33.5 5.4 16.5 20.6 301 60 B L H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 7,-0.3 0.774 101.3 60.1 -72.3 -26.3 4.3 14.8 17.4 302 61 B V H <>S+ 0 0 12 -4,-1.7 5,-2.3 2,-0.2 6,-1.2 0.957 111.3 41.6 -63.4 -46.3 2.7 18.1 16.2 303 62 B T H ><5S+ 0 0 92 -4,-1.6 3,-1.7 4,-0.2 -2,-0.2 0.933 113.5 51.1 -64.5 -48.7 6.2 19.6 16.5 304 63 B L H 3<5S+ 0 0 14 -4,-2.5 72,-0.3 1,-0.3 -1,-0.2 0.751 106.1 56.2 -63.5 -25.0 8.0 16.7 15.0 305 64 B T T 3<5S- 0 0 1 -4,-1.7 -1,-0.3 -3,-0.1 -2,-0.2 0.276 131.9 -86.2 -91.5 11.2 5.7 16.5 12.0 306 65 B G T < 5S- 0 0 60 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.2 0.687 80.7 -54.9 95.3 20.5 6.4 20.1 11.0 307 66 B G S - 0 0 53 -6,-1.2 3,-2.0 -7,-0.3 4,-0.4 -0.684 17.9-171.0 -85.6 94.7 0.8 20.0 11.9 309 68 B K T >> S+ 0 0 139 -2,-1.3 4,-2.1 1,-0.3 3,-1.5 0.748 76.2 75.0 -58.3 -26.5 -1.7 20.7 14.6 310 69 B H H 3> S+ 0 0 24 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.731 81.9 71.7 -61.2 -18.1 -4.2 18.2 13.2 311 70 B V H <4 S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.895 110.9 29.2 -63.5 -37.2 -2.0 15.6 14.7 312 71 B A H <4 S+ 0 0 24 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.775 118.5 55.9 -92.5 -29.6 -3.2 16.6 18.1 313 72 B Q H < S+ 0 0 76 -4,-2.1 -2,-0.2 -57,-0.1 -3,-0.2 0.801 86.6 95.8 -73.8 -29.5 -6.7 17.9 17.1 314 73 B A S < S- 0 0 3 -4,-2.1 85,-0.2 -5,-0.2 3,-0.1 -0.289 80.4-128.5 -62.8 145.7 -7.7 14.6 15.5 315 74 B A S S+ 0 0 22 83,-0.6 2,-0.3 -54,-0.2 84,-0.2 0.897 96.0 22.4 -60.6 -39.1 -9.7 12.2 17.7 316 75 B E E - I 0 398C 11 82,-2.6 82,-2.4 -54,-0.1 2,-0.4 -0.966 60.4-175.3-132.6 145.3 -7.1 9.5 16.7 317 76 B F E - I 0 397C 0 -25,-0.4 -25,-2.3 -2,-0.3 2,-0.4 -0.919 14.2-175.9-140.4 111.9 -3.5 9.6 15.5 318 77 B W E -HI 291 396C 2 78,-2.1 78,-1.8 -2,-0.4 2,-0.6 -0.879 18.2-144.6-113.5 143.1 -1.9 6.3 14.6 319 78 B V E -HI 290 395C 0 -29,-2.4 -29,-2.7 -2,-0.4 2,-0.5 -0.916 16.4-148.2-107.5 115.3 1.6 5.6 13.5 320 79 B F E -HI 289 394C 0 74,-2.5 73,-2.9 -2,-0.6 74,-1.0 -0.703 20.9-177.9 -87.0 127.8 1.9 2.8 10.9 321 80 B C E -HI 288 392C 0 -33,-3.1 -33,-2.4 -2,-0.5 2,-0.3 -0.958 31.0-129.7-129.7 144.6 5.1 0.7 11.0 322 81 B A E -HI 287 391C 0 69,-2.1 69,-2.6 -2,-0.4 2,-0.4 -0.694 38.8-162.2 -81.6 142.4 6.6 -2.1 9.1 323 82 B D E + I 0 390C 0 -37,-3.4 67,-0.2 -2,-0.3 4,-0.1 -0.897 41.2 148.1-143.1 112.2 7.6 -4.7 11.7 324 83 B F > + 0 0 5 65,-3.0 4,-1.5 -2,-0.4 66,-0.2 0.276 66.5 86.7-115.4 4.4 9.9 -7.7 11.6 325 84 B N H > S+ 0 0 23 64,-0.8 4,-2.2 2,-0.2 5,-0.2 0.882 85.0 59.7 -68.3 -37.0 10.9 -7.3 15.3 326 85 B R H > S+ 0 0 3 1,-0.2 4,-1.7 63,-0.2 -1,-0.2 0.916 105.4 48.3 -54.0 -44.5 7.8 -9.5 16.0 327 86 B H H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.842 107.6 53.4 -68.4 -34.5 9.5 -12.2 13.8 328 87 B L H < S+ 0 0 54 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.858 107.3 52.6 -69.3 -34.4 12.8 -12.0 15.6 329 88 B Q H < S+ 0 0 69 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.921 115.9 40.3 -64.0 -43.5 11.0 -12.5 18.9 330 89 B I H < S+ 0 0 7 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.843 129.4 29.1 -73.2 -36.5 9.4 -15.6 17.5 331 90 B C >< - 0 0 7 -4,-2.8 3,-2.5 -5,-0.1 -1,-0.3 -0.828 60.4-173.7-132.0 93.5 12.5 -16.8 15.6 332 91 B P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.782 89.9 59.0 -55.0 -27.0 15.8 -15.8 17.2 333 92 B D T 3 S+ 0 0 127 -3,-0.1 -5,-0.1 2,-0.1 -3,-0.0 0.300 79.0 146.2 -85.4 8.8 17.5 -17.3 14.1 334 93 B A < - 0 0 16 -3,-2.5 2,-0.8 -6,-0.2 -113,-0.2 -0.133 49.3-133.5 -51.4 138.2 15.6 -14.9 11.7 335 94 B Q + 0 0 62 -115,-2.9 2,-0.2 -113,-0.2 3,-0.2 -0.854 43.3 165.1 -94.8 105.6 17.5 -13.8 8.6 336 95 B L + 0 0 23 -2,-0.8 3,-0.1 1,-0.1 142,-0.1 -0.598 36.0 61.0-119.5 179.0 16.9 -10.0 8.5 337 96 B G + 0 0 6 140,-0.3 144,-1.9 1,-0.3 143,-1.4 0.360 64.3 144.2 87.9 -5.3 18.1 -6.9 6.9 338 97 B L >> - 0 0 6 141,-0.2 3,-1.3 -3,-0.2 4,-0.9 -0.483 54.8-134.5 -71.0 133.5 17.3 -8.0 3.4 339 98 B A H >> S+ 0 0 1 142,-1.9 4,-2.2 1,-0.3 3,-0.8 0.853 105.2 66.0 -53.9 -36.7 16.0 -5.2 1.0 340 99 B E H 3> S+ 0 0 6 -115,-0.3 4,-2.7 1,-0.3 -1,-0.3 0.873 98.2 52.7 -53.3 -40.1 13.2 -7.6 -0.0 341 100 B Q H <> S+ 0 0 19 -3,-1.3 4,-2.7 2,-0.2 -1,-0.3 0.792 105.5 54.9 -68.9 -27.8 11.8 -7.4 3.5 342 101 B L H <>S+ 0 0 0 -4,-2.7 5,-1.9 1,-0.2 3,-1.1 0.927 111.9 49.9 -59.7 -46.8 -12.9 5.3 8.6 361 120 B E H ><5S+ 0 0 20 -4,-3.1 3,-1.4 1,-0.3 -1,-0.2 0.835 103.1 60.7 -63.6 -30.6 -14.2 7.4 5.7 362 121 B S H 3<5S+ 0 0 25 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.732 100.9 55.7 -68.1 -21.8 -17.1 5.0 5.2 363 122 B L T <<5S- 0 0 29 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.513 127.6 -99.8 -86.5 -6.3 -18.2 5.9 8.8 364 123 B G T < 5S+ 0 0 40 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.450 80.4 138.0 100.0 2.6 -18.3 9.6 7.9 365 124 B L < - 0 0 6 -5,-1.9 -1,-0.3 -6,-0.2 2,-0.3 -0.428 46.2-136.6 -80.3 156.4 -14.9 10.2 9.4 366 125 B G E +J 399 0C 4 33,-3.2 33,-1.8 -2,-0.1 2,-0.3 -0.780 26.7 176.0-108.8 156.4 -12.3 12.4 7.8 367 126 B G E -J 398 0C 0 -114,-0.5 -112,-2.1 -2,-0.3 2,-0.3 -0.985 18.9-169.1-156.2 165.6 -8.6 11.5 7.7 368 127 B V E -J 397 0C 5 29,-1.4 29,-2.6 -2,-0.3 2,-0.1 -0.932 25.1-124.3-159.8 132.6 -5.2 12.5 6.4 369 128 B Y E -J 396 0C 32 -2,-0.3 2,-0.4 27,-0.2 27,-0.3 -0.449 18.2-146.4 -75.2 155.0 -1.9 10.7 6.3 370 129 B I E > +J 395 0C 1 25,-2.8 25,-2.0 1,-0.1 3,-1.1 -0.784 29.1 163.3-128.2 87.2 1.1 12.3 7.9 371 130 B G G > + 0 0 22 -2,-0.4 3,-2.7 1,-0.3 4,-0.2 0.659 65.7 87.9 -74.3 -14.7 4.4 11.5 6.1 372 131 B G G > + 0 0 5 1,-0.3 3,-2.0 2,-0.2 4,-0.5 0.636 64.9 83.6 -57.9 -13.5 5.8 14.4 8.1 373 132 B L G X S+ 0 0 2 -3,-1.1 3,-0.6 1,-0.3 -1,-0.3 0.813 85.0 59.0 -59.1 -28.8 6.6 11.8 10.7 374 133 B R G X S+ 0 0 3 -3,-2.7 3,-1.2 19,-0.2 -1,-0.3 0.542 79.7 85.6 -80.1 -6.6 9.7 11.2 8.6 375 134 B N G < S+ 0 0 55 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.910 115.2 12.5 -58.3 -42.8 11.0 14.7 9.0 376 135 B N G <> S+ 0 0 74 -3,-0.6 4,-2.2 -4,-0.5 -1,-0.3 -0.524 83.7 159.4-130.6 58.9 12.6 13.7 12.3 377 136 B I H <> S+ 0 0 2 -3,-1.2 4,-2.3 1,-0.2 5,-0.1 0.817 72.3 53.2 -56.2 -35.6 12.2 10.0 11.9 378 137 B E H > S+ 0 0 62 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.933 110.5 47.2 -66.2 -45.5 15.0 9.2 14.4 379 138 B A H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.877 112.5 49.6 -62.6 -39.4 13.3 11.4 17.1 380 139 B V H X S+ 0 0 0 -4,-2.2 4,-2.3 -7,-0.3 -1,-0.2 0.898 108.6 53.6 -66.2 -41.0 10.0 9.8 16.4 381 140 B T H <>S+ 0 0 3 -4,-2.3 5,-2.8 -5,-0.2 4,-0.2 0.918 113.0 42.8 -59.4 -45.0 11.5 6.4 16.7 382 141 B K H ><5S+ 0 0 142 -4,-2.2 3,-0.9 3,-0.2 -2,-0.2 0.902 112.0 54.2 -68.1 -41.7 12.9 7.3 20.1 383 142 B L H 3<5S+ 0 0 45 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.858 113.5 40.6 -61.1 -40.0 9.7 9.0 21.2 384 143 B L T 3<5S- 0 0 0 -4,-2.3 -203,-2.0 -5,-0.1 -1,-0.3 0.386 111.4-123.3 -90.2 2.7 7.6 5.9 20.5 385 144 B K T < 5 - 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