==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JAN-02 1KQD . COMPND 2 MOLECULE: OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR C.A.HAYNES,R.L.KODER,A.F.MILLER,D.W.RODGERS . 864 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 651 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 11.1 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 . 63 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 333 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.8 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 8 0 4 8 4 0 0 0 3 5 0 0 0 0 1 3 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 PARALLEL BRIDGES PER LADDER . 8 4 0 0 0 4 0 4 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 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 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 2 A D >> 0 0 121 0, 0.0 4,-1.7 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 95.8 19.9 19.6 39.5 2 3 A I H 3> + 0 0 14 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.766 360.0 58.9 -58.3 -29.6 19.2 15.9 39.7 3 4 A I H 3> S+ 0 0 9 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 104.9 49.6 -68.8 -39.2 22.8 15.0 38.7 4 5 A S H <> S+ 0 0 63 -3,-0.6 4,-0.9 1,-0.2 -2,-0.2 0.888 109.8 52.7 -64.1 -37.2 24.2 16.9 41.7 5 6 A V H >X S+ 0 0 32 -4,-1.7 4,-3.5 1,-0.2 3,-0.6 0.923 108.5 49.4 -63.1 -43.6 21.7 15.1 43.9 6 7 A A H 3< S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.851 113.6 46.5 -63.8 -34.4 22.9 11.8 42.5 7 8 A L H 3< S+ 0 0 73 -4,-2.0 -1,-0.3 -5,-0.1 197,-0.2 0.594 122.2 37.0 -83.4 -10.9 26.5 12.9 43.2 8 9 A K H << S+ 0 0 149 -4,-0.9 -2,-0.2 -3,-0.6 -3,-0.2 0.776 88.4 95.2-110.2 -37.6 25.6 14.1 46.7 9 10 A R < + 0 0 25 -4,-3.5 2,-0.3 -5,-0.2 150,-0.1 -0.213 54.1 176.5 -55.4 148.2 23.0 11.7 48.2 10 11 A H - 0 0 21 150,-0.1 2,-0.8 194,-0.0 150,-0.6 -0.980 40.2 -87.5-152.2 162.7 24.5 9.0 50.4 11 12 A S B -a 160 0A 28 -2,-0.3 150,-0.3 188,-0.1 2,-0.1 -0.652 49.1-132.2 -77.0 109.8 23.7 6.1 52.6 12 13 A T - 0 0 0 148,-2.2 3,-0.1 -2,-0.8 -1,-0.0 -0.388 20.3-169.7 -63.2 134.7 23.2 7.7 56.1 13 14 A K S S+ 0 0 78 1,-0.3 2,-0.3 181,-0.1 -1,-0.1 0.643 72.4 20.2-100.3 -19.0 25.0 5.9 58.8 14 15 A A - 0 0 27 180,-0.1 180,-1.9 59,-0.1 -1,-0.3 -0.970 67.9-150.7-153.7 134.9 23.4 7.7 61.8 15 16 A F B -G 193 0B 7 -2,-0.3 2,-0.8 178,-0.3 178,-0.3 -0.785 25.2-115.4-108.8 151.4 20.2 9.7 62.2 16 17 A D > - 0 0 45 176,-3.4 3,-1.1 -2,-0.3 176,-0.3 -0.741 24.4-153.8 -81.7 110.3 19.3 12.6 64.5 17 18 A A T 3 S+ 0 0 54 -2,-0.8 -1,-0.2 1,-0.2 176,-0.0 0.585 89.7 56.0 -63.8 -9.6 16.6 11.0 66.7 18 19 A S T 3 S+ 0 0 92 174,-0.1 2,-0.6 2,-0.0 -1,-0.2 0.706 87.6 85.2 -95.5 -22.1 15.1 14.4 67.4 19 20 A K < - 0 0 102 -3,-1.1 173,-0.4 173,-0.2 2,-0.3 -0.720 59.5-176.4 -87.9 119.5 14.5 15.5 63.8 20 21 A K - 0 0 91 -2,-0.6 2,-0.1 171,-0.1 171,-0.1 -0.731 32.0-100.1-111.5 160.2 11.3 14.3 62.3 21 22 A L - 0 0 14 -2,-0.3 2,-0.1 169,-0.2 -1,-0.0 -0.502 43.7-114.2 -73.3 148.2 9.8 14.6 58.8 22 23 A T > - 0 0 76 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.356 30.9-103.1 -75.5 167.2 7.2 17.4 58.6 23 24 A A H > S+ 0 0 84 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.876 124.6 50.7 -59.1 -38.0 3.6 16.3 57.9 24 25 A E H > S+ 0 0 132 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 108.7 49.8 -67.5 -42.6 4.0 17.4 54.3 25 26 A E H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.886 107.5 56.0 -63.3 -37.7 7.2 15.4 53.8 26 27 A A H X S+ 0 0 15 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.888 109.0 46.2 -61.5 -39.9 5.5 12.4 55.3 27 28 A E H X S+ 0 0 103 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.892 110.9 54.3 -69.8 -38.2 2.8 12.7 52.7 28 29 A K H X S+ 0 0 48 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.884 103.7 52.0 -65.4 -41.3 5.3 13.2 49.9 29 30 A I H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.833 109.7 51.4 -67.0 -27.9 7.4 10.0 50.6 30 31 A K H X S+ 0 0 22 -4,-1.0 4,-2.4 -5,-0.2 -1,-0.2 0.867 106.0 54.4 -73.2 -34.8 4.2 8.0 50.5 31 32 A T H X S+ 0 0 29 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.898 106.7 52.6 -63.1 -38.7 3.4 9.6 47.1 32 33 A L H X S+ 0 0 0 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.910 109.3 48.4 -62.6 -43.6 6.8 8.4 45.9 33 34 A L H >< S+ 0 0 0 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.936 115.1 45.2 -61.7 -47.4 6.1 4.8 47.0 34 35 A Q H 3< S+ 0 0 20 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.881 112.7 47.7 -65.4 -43.7 2.7 4.8 45.3 35 36 A Y H 3< S+ 0 0 55 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.360 75.5 123.2 -88.3 8.0 3.7 6.4 42.0 36 37 A S << - 0 0 0 -3,-0.7 109,-0.1 -4,-0.6 7,-0.1 -0.358 65.7-115.5 -63.2 146.3 6.8 4.3 41.1 37 38 A P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 111,-0.1 -0.307 36.8-179.6 -77.4 170.4 6.4 2.6 37.7 38 39 A S > - 0 0 16 341,-0.1 3,-3.0 106,-0.1 100,-0.0 -0.956 42.1 -69.4-166.2 153.6 6.3 -1.2 37.4 39 40 A S G > S- 0 0 19 1,-0.3 3,-2.0 -2,-0.3 4,-0.1 -0.284 121.2 -10.3 -52.3 122.2 5.9 -3.8 34.7 40 41 A T G 3 S- 0 0 37 1,-0.3 -1,-0.3 2,-0.1 80,-0.1 0.691 116.3 -80.0 56.8 23.5 2.3 -3.6 33.4 41 42 A N G < S+ 0 0 19 -3,-3.0 -1,-0.3 1,-0.1 -2,-0.2 0.823 85.9 154.3 54.0 32.1 1.6 -1.3 36.3 42 43 A S < - 0 0 0 -3,-2.0 3,-0.1 1,-0.1 -2,-0.1 0.728 30.4-163.4 -62.2 -24.7 1.3 -4.5 38.3 43 44 A Q - 0 0 0 1,-0.2 2,-2.1 -4,-0.1 -1,-0.1 0.864 11.2-178.6 38.2 54.1 2.3 -2.7 41.6 44 45 A P + 0 0 0 0, 0.0 42,-2.0 0, 0.0 2,-0.3 -0.228 43.3 97.4 -77.8 52.1 3.1 -6.0 43.3 45 46 A W E -B 85 0A 0 -2,-2.1 2,-0.3 40,-0.2 40,-0.2 -0.850 50.3-165.1-142.0 170.0 3.9 -4.4 46.5 46 47 A H E -B 84 0A 19 38,-1.8 38,-2.4 -2,-0.3 2,-0.4 -0.971 17.1-149.7-149.9 149.1 3.0 -3.2 50.0 47 48 A F E -Bc 83 430A 0 382,-2.9 384,-2.9 -2,-0.3 2,-0.6 -0.985 6.3-156.3-130.8 136.2 4.8 -0.8 52.3 48 49 A I E -Bc 82 431A 2 34,-1.7 34,-2.8 -2,-0.4 2,-0.7 -0.950 12.8-166.8-107.2 122.0 5.0 -0.6 56.1 49 50 A V E -Bc 81 432A 5 382,-3.0 384,-1.9 -2,-0.6 2,-0.6 -0.907 4.6-168.4-114.3 101.7 5.7 3.0 57.2 50 51 A A E +B 80 0A 0 30,-2.7 30,-2.6 -2,-0.7 382,-0.1 -0.811 24.9 150.6 -94.0 120.1 6.8 3.0 60.9 51 52 A S + 0 0 47 382,-3.0 -1,-0.2 -2,-0.6 2,-0.1 0.548 50.0 81.9-121.2 -18.0 6.9 6.5 62.5 52 53 A T S > S- 0 0 55 381,-1.0 4,-2.5 1,-0.1 5,-0.2 -0.490 84.4-117.8 -87.3 161.6 6.1 5.7 66.1 53 54 A E H > S+ 0 0 104 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.896 117.9 50.3 -64.4 -38.5 8.7 4.5 68.6 54 55 A E H > S+ 0 0 135 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.899 111.6 48.5 -65.3 -41.2 6.6 1.3 69.0 55 56 A G H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.915 110.8 48.2 -66.1 -45.0 6.5 0.8 65.3 56 57 A K H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.852 108.7 56.2 -64.6 -33.6 10.2 1.3 64.7 57 58 A A H X S+ 0 0 48 -4,-1.8 4,-0.6 -5,-0.2 -1,-0.2 0.874 104.9 51.8 -66.0 -37.2 10.9 -1.1 67.5 58 59 A R H >< S+ 0 0 82 -4,-1.5 3,-0.8 1,-0.2 4,-0.3 0.919 112.9 44.3 -65.7 -43.0 8.8 -3.8 65.8 59 60 A V H >< S+ 0 0 0 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.902 106.4 61.8 -67.1 -39.5 10.8 -3.4 62.6 60 61 A A H >< S+ 0 0 5 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.625 81.8 81.3 -62.5 -14.7 14.0 -3.2 64.5 61 62 A K T << S+ 0 0 110 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.800 85.9 61.1 -60.9 -26.2 13.4 -6.8 65.7 62 63 A S T < S+ 0 0 0 -3,-1.9 105,-2.9 -4,-0.3 2,-1.1 0.596 82.9 79.3 -76.6 -13.1 14.8 -7.9 62.3 63 64 A A S < S+ 0 0 4 -3,-1.7 8,-0.2 103,-0.2 -1,-0.2 -0.348 73.9 142.0 -90.7 54.5 18.1 -6.2 63.0 64 65 A A > - 0 0 45 -2,-1.1 3,-2.5 -3,-0.2 5,-0.1 -0.569 55.5 -19.7 -98.8 159.9 19.2 -9.2 65.1 65 66 A G G > S+ 0 0 63 1,-0.3 3,-2.1 2,-0.2 4,-0.2 -0.249 137.8 14.9 52.3-118.9 22.4 -11.1 65.6 66 67 A T G > S+ 0 0 87 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.776 130.7 55.0 -55.6 -28.9 24.7 -10.4 62.6 67 68 A Y G X + 0 0 27 -3,-2.5 3,-2.5 1,-0.2 4,-0.3 0.350 69.6 107.5 -91.0 7.9 22.4 -7.5 61.7 68 69 A V G X> + 0 0 80 -3,-2.1 3,-1.4 1,-0.3 4,-0.5 0.760 66.0 74.3 -57.4 -22.2 22.6 -5.6 65.0 69 70 A F G <4 S+ 0 0 111 -3,-0.5 -1,-0.3 1,-0.3 4,-0.2 0.598 97.1 48.7 -67.2 -9.5 24.8 -3.0 63.3 70 71 A N G <> S+ 0 0 8 -3,-2.5 4,-1.4 95,-0.2 -1,-0.3 0.450 85.3 91.2-106.6 -4.4 21.7 -1.7 61.5 71 72 A E H <> S+ 0 0 76 -3,-1.4 4,-1.5 -4,-0.3 3,-0.3 0.918 81.9 53.9 -58.2 -49.0 19.5 -1.5 64.6 72 73 A R H X S+ 0 0 167 -4,-0.5 4,-2.8 1,-0.2 5,-0.3 0.872 105.1 53.6 -55.6 -41.8 20.3 2.1 65.5 73 74 A K H > S+ 0 0 15 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.889 109.6 49.2 -61.2 -39.2 19.4 3.4 62.1 74 75 A M H < S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.779 116.8 41.4 -71.2 -28.6 16.0 1.8 62.3 75 76 A L H < S+ 0 0 46 -4,-1.5 -2,-0.2 -3,-0.1 -1,-0.2 0.839 117.6 43.2 -88.2 -36.3 15.3 3.2 65.8 76 77 A D H < S+ 0 0 26 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.749 90.0 97.5 -84.4 -25.5 16.6 6.7 65.3 77 78 A A S < S- 0 0 0 -4,-1.5 114,-0.2 -5,-0.3 3,-0.1 -0.139 74.5-128.4 -61.0 160.5 15.2 7.6 61.9 78 79 A S S S+ 0 0 1 112,-1.3 2,-0.4 1,-0.3 113,-0.2 0.950 91.7 14.3 -74.7 -52.5 12.0 9.6 61.7 79 80 A H E - D 0 190A 24 111,-2.3 111,-3.3 2,-0.0 2,-0.5 -0.989 67.4-158.7-128.3 134.6 10.2 7.2 59.3 80 81 A V E -BD 50 189A 0 -30,-2.6 -30,-2.7 -2,-0.4 2,-0.5 -0.952 8.7-159.6-116.9 116.8 11.1 3.7 58.5 81 82 A V E -BD 49 188A 0 107,-2.3 107,-3.3 -2,-0.5 2,-0.7 -0.833 3.0-160.1-100.0 126.5 9.8 2.2 55.2 82 83 A V E -BD 48 187A 0 -34,-2.8 -34,-1.7 -2,-0.5 2,-0.6 -0.915 12.9-148.0-104.5 114.1 9.7 -1.6 54.8 83 84 A F E -BD 47 186A 0 103,-3.2 102,-3.0 -2,-0.7 103,-1.2 -0.732 21.3-175.4 -84.0 121.2 9.4 -2.5 51.1 84 85 A C E -BD 46 184A 0 -38,-2.4 -38,-1.8 -2,-0.6 2,-0.3 -0.923 12.7-153.5-121.7 145.1 7.4 -5.7 50.6 85 86 A A E -BD 45 183A 1 98,-2.3 98,-1.6 -2,-0.4 -40,-0.2 -0.805 30.6-101.1-112.5 154.2 6.7 -7.8 47.5 86 87 A K E - D 0 182A 17 -42,-2.0 96,-0.3 -2,-0.3 3,-0.1 -0.482 23.4-142.0 -69.6 145.4 3.7 -10.0 46.8 87 88 A T S S+ 0 0 66 94,-2.1 2,-0.3 1,-0.3 -1,-0.1 0.702 83.8 9.4 -81.7 -22.1 4.6 -13.7 47.2 88 89 A A S S- 0 0 51 93,-0.5 2,-0.9 46,-0.1 -1,-0.3 -0.973 76.7-117.6-157.0 143.0 2.5 -14.8 44.3 89 90 A M - 0 0 7 -2,-0.3 2,-0.2 -3,-0.1 45,-0.1 -0.759 37.5-171.1 -89.1 107.1 0.6 -12.9 41.5 90 91 A D >> - 0 0 65 -2,-0.9 4,-1.5 1,-0.1 3,-0.5 -0.636 33.6-120.4 -96.9 154.4 -3.1 -13.7 41.9 91 92 A D H 3> S+ 0 0 91 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.834 110.1 66.4 -60.2 -33.9 -5.9 -12.8 39.4 92 93 A A H 3> S+ 0 0 66 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 103.3 44.8 -54.0 -46.5 -7.6 -10.8 42.1 93 94 A W H <> S+ 0 0 22 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.911 111.2 51.7 -65.3 -44.7 -4.7 -8.3 42.1 94 95 A L H X S+ 0 0 1 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.848 108.9 53.3 -60.7 -34.1 -4.5 -8.1 38.3 95 96 A E H X S+ 0 0 78 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.938 106.6 52.0 -64.1 -49.7 -8.2 -7.4 38.3 96 97 A R H X S+ 0 0 100 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.881 107.4 52.6 -54.0 -45.1 -7.7 -4.5 40.8 97 98 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.945 112.8 41.8 -60.0 -51.4 -5.0 -2.9 38.7 98 99 A V H X S+ 0 0 2 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.855 113.9 52.1 -68.6 -34.0 -7.1 -2.8 35.5 99 100 A D H X S+ 0 0 75 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.881 110.8 48.5 -69.0 -36.6 -10.3 -1.7 37.3 100 101 A Q H X S+ 0 0 49 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.907 109.0 52.9 -68.2 -42.0 -8.4 1.2 38.9 101 102 A E H <>S+ 0 0 7 -4,-2.2 5,-2.3 1,-0.2 6,-0.3 0.892 110.2 48.7 -60.8 -37.8 -6.9 2.2 35.5 102 103 A E H ><5S+ 0 0 100 -4,-1.9 3,-1.6 1,-0.2 5,-0.3 0.920 109.9 50.9 -67.0 -42.8 -10.5 2.3 34.1 103 104 A A H 3<5S+ 0 0 79 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.862 107.3 55.0 -61.6 -34.9 -11.7 4.3 37.1 104 105 A D T 3<5S- 0 0 53 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.452 120.7-109.6 -79.2 -0.4 -8.8 6.7 36.4 105 106 A G T < 5S+ 0 0 43 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.789 74.1 135.5 79.9 31.4 -9.9 7.2 32.8 106 107 A R < + 0 0 53 -5,-2.3 2,-0.4 313,-0.1 -4,-0.2 0.583 57.5 67.5 -87.5 -8.6 -7.1 5.4 31.0 107 108 A F - 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0 0 0 -3,-0.8 7,-0.1 -4,-0.5 109,-0.1 -0.369 64.8-117.7 -64.0 145.8 23.1 4.4 41.5 254 38 B P + 0 0 7 0, 0.0 2,-0.3 0, 0.0 111,-0.1 -0.326 36.4 179.0 -79.0 173.0 23.6 2.8 44.9 255 39 B S > - 0 0 18 -93,-0.1 3,-2.7 106,-0.1 100,-0.1 -0.961 42.8 -65.4-166.6 158.4 23.6 -1.0 45.3 256 40 B S G > S- 0 0 18 1,-0.3 3,-2.3 -2,-0.3 4,-0.1 -0.326 122.0 -11.2 -54.6 125.8 24.0 -3.6 48.0 257 41 B T G 3 S- 0 0 34 1,-0.3 -1,-0.3 2,-0.1 80,-0.1 0.670 117.0 -78.9 53.6 20.7 27.6 -3.2 49.4 258 42 B N G < S+ 0 0 16 -3,-2.7 -1,-0.3 1,-0.1 -2,-0.2 0.854 86.0 154.7 58.1 34.5 28.3 -1.0 46.4 259 43 B S < - 0 0 0 -3,-2.3 3,-0.1 1,-0.1 -2,-0.1 0.676 29.4-164.5 -67.6 -19.5 28.6 -4.2 44.4 260 44 B Q - 0 0 0 1,-0.2 2,-2.3 -7,-0.1 -1,-0.1 0.826 11.0-178.7 33.2 53.9 27.6 -2.4 41.2 261 45 B P + 0 0 0 0, 0.0 42,-1.9 0, 0.0 2,-0.3 -0.245 42.8 97.6 -77.1 54.8 27.0 -5.9 39.6 262 46 B W E - J 0 302C 0 -2,-2.3 2,-0.3 40,-0.2 40,-0.2 -0.846 51.1-163.1-142.6 171.9 26.1 -4.3 36.2 263 47 B H E - J 0 301C 17 38,-1.9 38,-2.5 -2,-0.3 2,-0.4 -0.975 16.7-151.0-151.4 147.0 26.9 -3.3 32.7 264 48 B F E -hJ 213 300C 0 -52,-3.0 -50,-2.7 -2,-0.3 2,-0.6 -0.979 7.1-155.8-129.4 136.1 25.1 -0.9 30.4 265 49 B I E -hJ 214 299C 4 34,-1.8 34,-2.8 -2,-0.4 2,-0.7 -0.937 13.0-165.9-104.9 124.4 24.9 -0.7 26.6 266 50 B V E -hJ 215 298C 2 -52,-3.2 -50,-2.4 -2,-0.6 2,-0.6 -0.899 6.6-169.1-115.1 100.5 24.1 2.8 25.5 267 51 B A E + J 0 297C 0 30,-2.9 30,-2.8 -2,-0.7 -52,-0.1 -0.805 26.7 147.2 -95.2 121.2 23.0 2.8 21.9 268 52 B S + 0 0 46 -52,-2.9 2,-0.2 -2,-0.6 -1,-0.1 0.499 48.7 86.8-126.0 -14.2 22.8 6.1 20.1 269 53 B T S > S- 0 0 69 -53,-0.8 4,-2.5 1,-0.1 5,-0.3 -0.504 84.7-115.2 -85.4 160.4 23.8 5.3 16.5 270 54 B E H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.928 116.9 43.4 -62.0 -45.9 21.2 4.0 14.0 271 55 B E H > S+ 0 0 146 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.887 112.3 54.9 -68.3 -35.2 22.8 0.6 13.6 272 56 B G H > S+ 0 0 2 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.934 111.9 42.0 -61.5 -46.9 23.3 0.4 17.4 273 57 B K H X S+ 0 0 1 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.879 112.2 55.9 -67.5 -36.4 19.6 1.0 18.1 274 58 B A H X S+ 0 0 44 -4,-2.2 4,-0.7 -5,-0.3 -1,-0.2 0.848 105.3 52.1 -64.2 -34.3 18.6 -1.3 15.3 275 59 B R H < S+ 0 0 68 -4,-2.1 3,-0.4 2,-0.2 4,-0.3 0.880 112.4 44.7 -69.4 -38.0 20.7 -4.1 16.8 276 60 B V H >< S+ 0 0 0 -4,-1.6 3,-2.3 1,-0.2 4,-0.2 0.927 106.9 60.8 -69.0 -43.6 18.9 -3.6 20.1 277 61 B A H >< S+ 0 0 3 -4,-3.1 3,-1.8 1,-0.3 -1,-0.2 0.680 85.5 77.4 -56.0 -21.1 15.6 -3.4 18.3 278 62 B K T 3< S+ 0 0 113 -4,-0.7 -1,-0.3 -3,-0.4 3,-0.2 0.801 86.2 61.8 -60.4 -27.3 16.2 -7.0 17.0 279 63 B S T < S+ 0 0 0 -3,-2.3 105,-2.9 -4,-0.3 2,-0.9 0.613 84.0 77.8 -74.9 -13.0 15.1 -8.1 20.4 280 64 B A S < S+ 0 0 2 -3,-1.8 8,-0.2 -4,-0.2 -1,-0.2 -0.333 74.4 141.1 -91.5 52.0 11.7 -6.6 19.9 281 65 B A > - 0 0 44 -2,-0.9 3,-2.0 -3,-0.2 5,-0.1 -0.453 51.3 -3.9 -93.3 166.1 10.7 -9.6 17.7 282 66 B G G > S+ 0 0 65 1,-0.3 3,-1.8 2,-0.2 4,-0.1 -0.301 136.5 1.4 58.1-129.2 7.5 -11.5 17.4 283 67 B T G > S+ 0 0 88 1,-0.3 3,-0.7 2,-0.1 -1,-0.3 0.698 128.4 66.6 -63.7 -19.8 4.8 -10.4 19.9 284 68 B Y G X + 0 0 35 -3,-2.0 3,-2.6 1,-0.2 4,-0.3 0.399 65.3 105.6 -82.7 3.6 7.2 -7.8 21.2 285 69 B V G X> + 0 0 80 -3,-1.8 3,-1.6 1,-0.3 4,-0.5 0.746 62.7 76.5 -57.0 -21.1 7.1 -5.8 17.9 286 70 B F G <4 S+ 0 0 114 -3,-0.7 -1,-0.3 1,-0.3 4,-0.2 0.621 97.3 47.4 -65.7 -9.4 4.9 -3.3 19.7 287 71 B N G <> S+ 0 0 8 -3,-2.6 4,-1.4 95,-0.2 -1,-0.3 0.443 87.2 90.3-107.2 -4.3 8.2 -2.0 21.4 288 72 B E H <> S+ 0 0 71 -3,-1.6 4,-2.0 -4,-0.3 3,-0.3 0.923 84.0 50.5 -59.1 -50.4 10.3 -1.9 18.2 289 73 B R H X S+ 0 0 146 -4,-0.5 4,-3.1 1,-0.2 5,-0.3 0.846 105.8 57.0 -58.6 -37.1 9.6 1.7 17.2 290 74 B K H > S+ 0 0 12 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.908 109.8 45.1 -61.6 -41.3 10.4 3.0 20.7 291 75 B M H < S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.843 117.8 44.3 -71.5 -33.8 13.9 1.5 20.4 292 76 B L H < S+ 0 0 33 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.878 117.8 40.6 -79.4 -38.5 14.4 2.8 16.9 293 77 B D H < S+ 0 0 33 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.729 91.4 96.9 -85.0 -24.8 13.1 6.3 17.4 294 78 B A S < S- 0 0 0 -4,-1.5 114,-0.2 -5,-0.3 3,-0.2 -0.185 74.1-129.1 -61.9 160.6 14.5 7.2 20.8 295 79 B S S S+ 0 0 1 112,-1.2 2,-0.4 1,-0.3 113,-0.2 0.946 90.6 15.5 -75.8 -53.4 17.7 9.2 20.9 296 80 B H E - K 0 407C 20 111,-2.3 111,-2.9 2,-0.0 2,-0.5 -0.992 67.7-160.3-127.2 131.0 19.6 6.9 23.3 297 81 B V E -JK 267 406C 0 -30,-2.8 -30,-2.9 -2,-0.4 2,-0.5 -0.949 8.7-158.9-115.0 118.3 18.7 3.3 24.2 298 82 B V E -JK 266 405C 0 107,-2.3 107,-3.2 -2,-0.5 2,-0.7 -0.837 4.4-158.9-101.9 126.3 20.1 1.9 27.4 299 83 B V E -JK 265 404C 0 -34,-2.8 -34,-1.8 -2,-0.5 2,-0.6 -0.912 13.9-148.4-102.6 114.1 20.3 -1.9 27.9 300 84 B F E -JK 264 403C 0 103,-3.4 102,-2.7 -2,-0.7 103,-1.3 -0.749 21.6-176.2 -84.5 120.1 20.5 -2.6 31.7 301 85 B C E -JK 263 401C 0 -38,-2.5 -38,-1.9 -2,-0.6 2,-0.3 -0.901 15.0-152.4-121.2 148.7 22.5 -5.8 32.3 302 86 B A E -JK 262 400C 2 98,-2.1 98,-1.5 -2,-0.3 -40,-0.2 -0.839 30.8-103.2-114.0 152.3 23.4 -7.8 35.4 303 87 B K E - K 0 399C 18 -42,-1.9 96,-0.3 -2,-0.3 3,-0.1 -0.416 23.0-139.2 -68.4 151.5 26.5 -9.9 35.9 304 88 B T S S+ 0 0 64 94,-1.9 2,-0.3 1,-0.3 -1,-0.1 0.705 84.0 12.5 -86.5 -21.2 25.7 -13.7 35.7 305 89 B A S S- 0 0 54 93,-0.4 2,-0.9 46,-0.1 -1,-0.3 -0.982 75.2-121.1-154.1 143.3 27.9 -14.6 38.6 306 90 B M - 0 0 7 -2,-0.3 2,-0.2 -3,-0.1 45,-0.1 -0.780 36.0-168.2 -91.6 106.1 29.6 -12.6 41.4 307 91 B D > - 0 0 66 -2,-0.9 4,-1.7 1,-0.1 3,-0.4 -0.585 32.1-120.7 -93.5 155.0 33.4 -13.3 41.2 308 92 B D H > S+ 0 0 97 1,-0.2 4,-2.8 -2,-0.2 5,-0.3 0.886 111.6 64.6 -59.1 -38.9 36.0 -12.5 43.7 309 93 B A H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.915 104.5 45.3 -49.9 -48.4 37.8 -10.4 41.1 310 94 B W H > S+ 0 0 21 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.902 111.0 52.2 -64.4 -42.8 34.8 -8.0 41.0 311 95 B L H X S+ 0 0 5 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.883 110.5 48.4 -62.3 -38.9 34.5 -7.8 44.8 312 96 B E H X S+ 0 0 70 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.879 107.0 57.3 -68.6 -37.2 38.2 -6.9 45.1 313 97 B R H X S+ 0 0 92 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.893 105.4 51.0 -59.7 -40.6 37.7 -4.3 42.4 314 98 B V H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.943 113.9 41.2 -64.4 -48.8 35.0 -2.5 44.4 315 99 B V H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.870 115.1 51.7 -68.6 -35.4 36.9 -2.3 47.6 316 100 B D H X S+ 0 0 69 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.836 109.4 50.3 -70.1 -31.3 40.1 -1.3 45.8 317 101 B Q H X S+ 0 0 44 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.920 110.0 49.9 -70.6 -43.9 38.3 1.4 44.0 318 102 B E H <>S+ 0 0 7 -4,-2.2 5,-2.4 2,-0.2 6,-0.3 0.876 111.6 49.1 -62.0 -37.1 36.9 2.7 47.3 319 103 B E H ><5S+ 0 0 97 -4,-2.0 3,-2.0 1,-0.2 5,-0.3 0.946 110.9 49.4 -66.1 -46.8 40.4 2.7 48.8 320 104 B A H 3<5S+ 0 0 78 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.779 108.2 55.5 -62.0 -26.9 41.7 4.5 45.7 321 105 B D T 3<5S- 0 0 56 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.371 118.9-112.2 -88.4 5.7 38.9 7.0 46.2 322 106 B G T < 5S+ 0 0 44 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.802 72.8 136.1 72.3 32.5 39.9 7.7 49.8 323 107 B R < + 0 0 43 -5,-2.4 2,-0.6 -121,-0.1 -4,-0.2 0.613 58.2 70.2 -85.8 -10.0 37.0 6.2 51.6 324 108 B F - 0 0 40 -6,-0.3 -1,-0.1 -5,-0.3 -2,-0.1 -0.924 50.7-178.2-115.3 117.6 39.2 4.5 54.2 325 109 B N S S+ 0 0 140 -2,-0.6 -1,-0.1 1,-0.0 3,-0.0 0.711 77.9 22.4 -80.5 -22.4 41.2 6.5 56.8 326 110 B T S > S- 0 0 66 1,-0.1 4,-1.4 0, 0.0 3,-0.2 -0.914 80.3-112.2-140.0 165.0 42.8 3.3 58.2 327 111 B P H > S+ 0 0 105 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.862 118.5 58.8 -66.4 -32.5 43.6 -0.2 57.1 328 112 B E H > S+ 0 0 137 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.863 100.5 55.5 -63.3 -36.5 41.0 -1.4 59.7 329 113 B A H > S+ 0 0 36 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.919 109.8 45.9 -63.2 -42.6 38.3 0.6 57.9 330 114 B K H X S+ 0 0 56 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.926 112.1 50.7 -65.8 -45.0 39.1 -1.1 54.6 331 115 B A H X S+ 0 0 59 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.898 108.9 51.1 -60.0 -43.2 39.2 -4.6 56.2 332 116 B A H X S+ 0 0 63 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.894 111.4 48.6 -62.1 -39.1 35.8 -4.0 57.9 333 117 B N H X S+ 0 0 45 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.923 112.8 46.9 -67.0 -43.6 34.4 -3.0 54.5 334 118 B H H X S+ 0 0 61 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.920 111.2 52.9 -62.6 -45.0 35.9 -6.1 52.8 335 119 B K H X S+ 0 0 159 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.913 110.0 47.6 -57.1 -47.0 34.6 -8.3 55.6 336 120 B G H X S+ 0 0 31 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.898 112.5 47.5 -63.7 -42.5 31.0 -6.9 55.2 337 121 B R H X S+ 0 0 8 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.906 110.6 52.2 -66.6 -41.1 30.9 -7.3 51.4 338 122 B T H X S+ 0 0 38 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.898 106.4 55.5 -61.4 -39.6 32.3 -10.9 51.6 339 123 B Y H X S+ 0 0 85 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.940 114.0 38.3 -58.5 -50.1 29.6 -11.7 54.1 340 124 B F H X S+ 0 0 20 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.895 116.4 52.1 -69.0 -40.9 26.8 -10.6 51.8 341 125 B A H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 3,-0.3 0.944 113.2 43.2 -61.3 -49.7 28.5 -12.0 48.7 342 126 B D H X>S+ 0 0 57 -4,-2.9 4,-3.0 1,-0.2 5,-1.6 0.847 106.3 61.4 -66.6 -34.6 29.0 -15.4 50.1 343 127 B M H <>S+ 0 0 32 -4,-1.7 5,-3.0 -5,-0.3 6,-0.3 0.881 116.6 33.1 -59.6 -36.0 25.5 -15.6 51.6 344 128 B H H <5S+ 0 0 16 -4,-1.4 6,-2.3 -3,-0.3 7,-0.9 0.878 123.3 43.6 -87.0 -42.2 24.2 -15.3 48.1 345 129 B R H <5S+ 0 0 47 -4,-3.0 -3,-0.2 4,-0.2 -2,-0.2 0.825 134.4 12.1 -73.5 -33.4 26.9 -17.2 46.2 346 130 B V T <5S+ 0 0 87 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.831 129.4 38.9-109.4 -60.0 27.2 -20.1 48.7 347 131 B D T + 0 0 29 -6,-2.3 4,-2.5 -7,-0.1 3,-0.5 0.046 18.6 125.3-136.5 27.1 21.0 -16.9 44.4 351 135 B D H > S+ 0 0 27 -7,-0.9 4,-2.4 1,-0.2 5,-0.2 0.812 74.0 61.0 -60.7 -27.2 23.6 -14.3 43.5 352 136 B D H > S+ 0 0 71 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.935 110.5 39.4 -64.7 -43.3 22.2 -14.1 40.0 353 137 B Q H > S+ 0 0 42 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.887 113.4 55.3 -71.7 -39.3 18.8 -12.9 41.4 354 138 B W H X S+ 0 0 3 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.911 110.8 45.1 -59.5 -44.1 20.4 -10.7 44.0 355 139 B M H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.887 109.4 54.3 -68.9 -39.3 22.4 -8.9 41.3 356 140 B A H X S+ 0 0 4 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.861 104.9 56.0 -62.6 -34.8 19.4 -8.6 39.0 357 141 B K H X S+ 0 0 27 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.892 104.9 51.8 -64.5 -38.0 17.6 -6.9 41.9 358 142 B Q H X S+ 0 0 2 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.854 107.7 53.1 -65.9 -33.9 20.4 -4.3 42.2 359 143 B V H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.887 106.9 50.4 -69.0 -39.2 20.0 -3.6 38.4 360 144 B Y H X S+ 0 0 9 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.885 107.2 54.8 -66.2 -36.2 16.3 -3.0 38.8 361 145 B L H X S+ 0 0 6 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.929 107.3 50.9 -60.7 -41.3 17.1 -0.6 41.6 362 146 B N H X S+ 0 0 0 -4,-1.8 4,-3.1 1,-0.2 -2,-0.2 0.933 107.6 52.7 -60.5 -45.2 19.4 1.2 39.1 363 147 B V H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.922 108.0 50.9 -56.3 -44.9 16.5 1.3 36.6 364 148 B G H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.910 111.5 47.1 -59.3 -43.5 14.3 2.9 39.2 365 149 B N H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.949 113.6 50.2 -60.9 -49.2 16.9 5.5 40.0 366 150 B F H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.893 105.8 53.0 -57.9 -48.7 17.4 6.1 36.3 367 151 B L H X S+ 0 0 4 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.891 113.2 43.3 -59.9 -41.1 13.8 6.6 35.3 368 152 B L H X S+ 0 0 0 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.890 114.2 53.4 -71.7 -36.8 13.2 9.3 38.0 369 153 B G H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.952 109.2 44.5 -62.3 -52.5 16.5 10.9 37.1 370 154 B V H <>S+ 0 0 2 -4,-3.0 5,-2.8 1,-0.2 4,-0.4 0.872 113.2 54.4 -61.7 -33.5 15.9 11.2 33.3 371 155 B G H ><5S+ 0 0 17 -4,-1.5 3,-1.4 -5,-0.3 -1,-0.2 0.920 106.2 50.2 -64.5 -42.9 12.4 12.5 34.2 372 156 B A H 3<5S+ 0 0 37 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.735 105.9 57.9 -67.1 -21.6 14.0 15.2 36.5 373 157 B M T 3<5S- 0 0 23 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.548 121.0-109.9 -83.4 -8.6 16.2 16.1 33.6 374 158 B G T < 5S+ 0 0 35 -3,-1.4 126,-0.4 -4,-0.4 2,-0.3 0.684 76.7 132.1 87.3 18.2 13.1 16.8 31.5 375 159 B L < - 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