==== 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 1KQB . 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) . 34045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 650 75.2 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 . 62 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 332 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.9 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 10 2 0 0 0 2 6 0 0 0 0 0 4 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 0 117 0, 0.0 4,-1.8 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 113.6 19.8 19.7 39.4 2 3 A I H 3> + 0 0 13 1,-0.2 4,-2.1 370,-0.2 5,-0.1 0.770 360.0 57.6 -61.5 -26.6 19.1 16.0 39.6 3 4 A I H 3> S+ 0 0 7 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.881 105.3 50.0 -72.3 -35.3 22.6 15.1 38.6 4 5 A S H <> S+ 0 0 66 -3,-0.5 4,-0.6 2,-0.2 -2,-0.2 0.894 109.1 53.5 -66.6 -38.0 24.0 17.0 41.5 5 6 A V H >X S+ 0 0 29 -4,-1.8 4,-3.8 1,-0.2 3,-1.1 0.931 107.0 50.5 -60.9 -46.3 21.6 15.1 43.7 6 7 A A H 3< S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.837 112.5 47.0 -61.6 -33.4 22.8 11.8 42.4 7 8 A L H 3< S+ 0 0 76 -4,-1.6 -1,-0.3 -5,-0.1 197,-0.2 0.537 122.5 36.6 -85.6 -5.8 26.4 12.9 43.1 8 9 A K H << S+ 0 0 150 -3,-1.1 -2,-0.2 -4,-0.6 -3,-0.2 0.757 87.6 95.3-114.6 -38.7 25.4 14.1 46.6 9 10 A R < + 0 0 23 -4,-3.8 2,-0.3 -5,-0.2 150,-0.1 -0.189 55.4 179.3 -53.5 151.2 22.8 11.8 48.1 10 11 A H - 0 0 18 150,-0.1 2,-1.0 194,-0.0 150,-0.6 -0.976 39.0 -87.9-152.7 164.4 24.4 9.1 50.3 11 12 A S B -a 160 0A 28 -2,-0.3 150,-0.3 188,-0.1 2,-0.1 -0.680 49.0-133.0 -80.1 106.2 23.6 6.2 52.5 12 13 A T - 0 0 0 148,-2.2 3,-0.1 -2,-1.0 -1,-0.0 -0.374 24.2-175.8 -61.1 129.5 23.0 7.7 55.9 13 14 A K S S+ 0 0 86 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.579 72.1 28.0-102.5 -14.2 24.8 5.9 58.7 14 15 A A - 0 0 22 180,-0.1 180,-1.6 59,-0.1 2,-0.3 -0.978 67.6-157.4-150.7 133.1 23.4 8.0 61.5 15 16 A F B -G 193 0B 6 -2,-0.3 2,-0.9 178,-0.3 178,-0.3 -0.836 26.0-117.5-112.9 150.9 20.1 9.9 61.9 16 17 A D > - 0 0 44 176,-3.1 3,-1.1 -2,-0.3 176,-0.3 -0.770 23.1-154.5 -84.2 110.1 19.2 12.8 64.2 17 18 A A T 3 S+ 0 0 52 -2,-0.9 -1,-0.1 1,-0.2 176,-0.0 0.525 90.0 55.7 -65.4 -5.4 16.5 11.3 66.4 18 19 A S T 3 S+ 0 0 93 174,-0.1 2,-0.8 1,-0.1 -1,-0.2 0.672 87.7 84.1 -99.8 -21.0 15.0 14.7 67.1 19 20 A K < - 0 0 103 -3,-1.1 173,-0.4 173,-0.2 2,-0.3 -0.751 60.3-178.5 -89.9 110.2 14.5 15.7 63.5 20 21 A K - 0 0 96 -2,-0.8 2,-0.1 171,-0.1 171,-0.1 -0.692 32.7 -99.1-105.3 158.5 11.2 14.4 62.1 21 22 A L - 0 0 14 -2,-0.3 -1,-0.1 169,-0.2 2,-0.1 -0.431 42.7-111.2 -71.5 151.1 9.7 14.8 58.7 22 23 A T > - 0 0 74 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.344 30.5-105.2 -75.3 166.4 7.1 17.5 58.3 23 24 A A H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.877 123.9 50.6 -60.1 -37.7 3.5 16.4 57.7 24 25 A E H > S+ 0 0 133 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.928 108.7 50.1 -66.7 -45.3 3.9 17.5 54.1 25 26 A E H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.889 107.9 54.1 -60.9 -39.8 7.1 15.5 53.6 26 27 A A H X S+ 0 0 15 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.885 109.6 47.9 -61.6 -39.2 5.5 12.4 55.1 27 28 A E H X S+ 0 0 101 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.905 111.3 52.2 -67.3 -40.2 2.7 12.7 52.5 28 29 A K H X S+ 0 0 44 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.884 104.7 52.4 -65.9 -41.0 5.2 13.2 49.8 29 30 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.853 109.4 51.5 -66.4 -29.6 7.3 10.1 50.5 30 31 A K H X S+ 0 0 19 -4,-1.2 4,-2.4 -5,-0.2 -1,-0.2 0.871 106.9 53.6 -71.2 -35.5 4.1 8.0 50.4 31 32 A T H X S+ 0 0 29 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.891 106.6 52.7 -64.4 -38.4 3.3 9.6 47.0 32 33 A L H X S+ 0 0 0 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.908 109.6 48.2 -63.1 -43.1 6.8 8.5 45.8 33 34 A L H >< S+ 0 0 0 -4,-1.7 3,-0.6 1,-0.2 -2,-0.2 0.932 115.3 45.7 -62.4 -45.1 6.1 4.9 46.9 34 35 A Q H 3< S+ 0 0 18 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.885 112.5 47.1 -67.5 -42.2 2.7 4.9 45.2 35 36 A Y H 3< S+ 0 0 54 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.393 76.6 123.0 -88.6 6.7 3.6 6.5 41.9 36 37 A S << - 0 0 0 -4,-0.6 109,-0.1 -3,-0.6 7,-0.1 -0.323 65.7-114.7 -62.0 147.0 6.7 4.4 41.1 37 38 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 111,-0.1 -0.344 36.4-179.1 -79.2 169.4 6.3 2.7 37.7 38 39 A S > - 0 0 17 341,-0.1 3,-2.7 -2,-0.1 2,-0.1 -0.965 41.5 -71.5-163.6 155.3 6.2 -1.1 37.4 39 40 A S G > S- 0 0 23 1,-0.3 3,-2.0 -2,-0.3 4,-0.1 -0.343 120.8 -8.4 -56.5 123.2 5.9 -3.8 34.7 40 41 A T G 3 S- 0 0 41 1,-0.3 -1,-0.3 2,-0.1 80,-0.1 0.596 117.3 -80.5 61.5 14.6 2.3 -3.7 33.3 41 42 A N G < S+ 0 0 18 -3,-2.7 -1,-0.3 1,-0.1 -2,-0.2 0.833 86.1 155.2 60.6 32.7 1.6 -1.3 36.2 42 43 A S < - 0 0 0 -3,-2.0 3,-0.1 1,-0.1 -2,-0.1 0.718 29.7-163.9 -63.9 -23.8 1.4 -4.5 38.2 43 44 A Q - 0 0 0 1,-0.2 2,-2.2 -7,-0.1 -1,-0.1 0.855 11.0-178.8 37.4 53.8 2.2 -2.6 41.4 44 45 A P + 0 0 0 0, 0.0 42,-1.9 0, 0.0 2,-0.3 -0.257 43.2 98.7 -78.1 53.6 3.0 -6.0 43.2 45 46 A W E -B 85 0A 0 -2,-2.2 2,-0.3 40,-0.2 40,-0.2 -0.871 49.9-166.7-142.6 169.4 3.8 -4.3 46.4 46 47 A H E -B 84 0A 20 38,-1.7 38,-2.4 -2,-0.3 2,-0.4 -0.971 17.3-150.6-150.4 148.2 2.9 -3.1 49.9 47 48 A F E -Bc 83 430A 0 382,-2.9 384,-2.8 -2,-0.3 2,-0.6 -0.985 5.8-155.3-130.5 135.7 4.7 -0.7 52.2 48 49 A I E -Bc 82 431A 2 34,-1.8 34,-2.8 -2,-0.4 2,-0.6 -0.936 13.1-167.1-105.0 124.9 4.9 -0.5 56.0 49 50 A V E -Bc 81 432A 4 382,-3.3 384,-2.4 -2,-0.6 2,-0.5 -0.900 4.2-170.2-117.9 101.1 5.7 3.1 57.1 50 51 A A E +B 80 0A 0 30,-2.5 30,-2.7 -2,-0.6 382,-0.1 -0.813 23.8 151.0 -94.5 124.1 6.6 3.2 60.7 51 52 A S + 0 0 50 382,-2.8 2,-0.2 -2,-0.5 -1,-0.1 0.516 50.7 82.4-124.9 -17.1 6.9 6.6 62.3 52 53 A T S > S- 0 0 55 381,-0.8 4,-2.5 1,-0.1 5,-0.2 -0.537 85.9-116.8 -88.0 159.2 6.0 5.9 65.9 53 54 A E H > S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.882 117.6 50.3 -62.9 -36.2 8.6 4.6 68.4 54 55 A E H > S+ 0 0 137 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.901 110.5 49.4 -67.6 -41.1 6.6 1.4 68.8 55 56 A G H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.926 111.7 47.3 -64.3 -45.0 6.3 0.9 65.1 56 57 A K H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.857 108.6 56.4 -65.2 -34.4 10.0 1.4 64.5 57 58 A A H < S+ 0 0 46 -4,-1.8 4,-0.5 -5,-0.2 -1,-0.2 0.887 105.3 51.7 -64.8 -37.9 10.8 -0.9 67.4 58 59 A R H >< S+ 0 0 83 -4,-1.7 3,-0.8 1,-0.2 4,-0.2 0.907 112.7 44.3 -65.5 -41.8 8.7 -3.7 65.7 59 60 A V H >< S+ 0 0 0 -4,-1.8 3,-2.3 1,-0.2 -2,-0.2 0.922 106.0 62.5 -67.6 -41.5 10.7 -3.2 62.4 60 61 A A G >< S+ 0 0 6 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.607 81.6 81.5 -59.6 -13.0 13.9 -3.1 64.4 61 62 A K G < S+ 0 0 108 -3,-0.8 -1,-0.3 -4,-0.5 3,-0.2 0.804 85.9 60.3 -62.8 -26.2 13.2 -6.7 65.6 62 63 A S G < S+ 0 0 0 -3,-2.3 105,-2.9 -4,-0.2 2,-1.1 0.607 84.7 77.5 -77.0 -13.3 14.6 -7.7 62.2 63 64 A A S < S+ 0 0 3 -3,-1.5 -1,-0.2 103,-0.2 8,-0.2 -0.387 74.6 138.2 -92.6 55.8 18.0 -6.1 62.9 64 65 A A > - 0 0 44 -2,-1.1 3,-2.5 -3,-0.2 5,-0.1 -0.621 59.1 -19.8-102.1 160.9 18.9 -9.0 65.2 65 66 A G G > S+ 0 0 63 1,-0.3 3,-2.0 -2,-0.2 4,-0.2 -0.219 138.4 17.3 50.1-116.8 22.2 -10.9 65.6 66 67 A T G 3 S+ 0 0 76 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.777 131.7 51.1 -54.5 -30.2 24.3 -10.4 62.5 67 68 A Y G X S+ 0 0 31 -3,-2.5 3,-2.2 1,-0.2 4,-0.3 0.309 72.3 108.7 -95.0 9.7 22.2 -7.3 61.6 68 69 A V G X + 0 0 61 -3,-2.0 3,-1.3 1,-0.3 4,-0.4 0.722 66.9 71.0 -59.8 -20.9 22.4 -5.5 64.9 69 70 A F G 3 S+ 0 0 180 -3,-0.5 -1,-0.3 1,-0.3 4,-0.2 0.533 97.4 51.7 -74.3 -2.8 24.6 -2.9 63.4 70 71 A N G <> S+ 0 0 33 -3,-2.2 4,-1.3 95,-0.2 -1,-0.3 0.412 84.3 92.4-107.3 -4.0 21.6 -1.6 61.5 71 72 A E H <> S+ 0 0 76 -3,-1.3 4,-1.6 -4,-0.3 3,-0.3 0.921 81.3 52.1 -58.0 -49.2 19.4 -1.4 64.5 72 73 A R H > S+ 0 0 180 -4,-0.4 4,-3.1 1,-0.2 5,-0.3 0.849 104.4 56.2 -59.3 -36.5 20.1 2.3 65.3 73 74 A K H > S+ 0 0 21 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.901 110.0 47.2 -61.8 -39.5 19.4 3.5 61.8 74 75 A M H < S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.782 118.2 40.9 -72.0 -29.4 15.9 1.9 62.1 75 76 A L H < S+ 0 0 41 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.828 116.5 45.2 -88.9 -35.2 15.3 3.4 65.6 76 77 A D H < S+ 0 0 29 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.735 91.1 96.6 -82.7 -24.0 16.7 6.9 65.1 77 78 A A S < S- 0 0 0 -4,-1.3 114,-0.2 -5,-0.3 3,-0.1 -0.132 74.4-129.5 -62.8 163.2 15.2 7.7 61.7 78 79 A S S S+ 0 0 3 112,-1.6 2,-0.4 1,-0.3 113,-0.2 0.936 91.1 12.0 -78.4 -51.3 11.9 9.7 61.4 79 80 A H E - D 0 190A 25 111,-2.3 111,-3.4 2,-0.0 2,-0.5 -0.991 67.4-157.7-130.5 136.6 10.1 7.3 59.2 80 81 A V E -BD 50 189A 0 -30,-2.7 -30,-2.5 -2,-0.4 2,-0.5 -0.959 8.7-158.4-119.1 118.2 11.1 3.7 58.3 81 82 A V E -BD 49 188A 0 107,-2.5 107,-3.4 -2,-0.5 2,-0.7 -0.833 2.7-159.6-100.3 126.6 9.7 2.2 55.1 82 83 A V E -BD 48 187A 0 -34,-2.8 -34,-1.8 -2,-0.5 2,-0.6 -0.917 13.3-148.4-103.5 115.4 9.6 -1.5 54.7 83 84 A F E -BD 47 186A 0 103,-3.4 102,-2.9 -2,-0.7 103,-1.2 -0.749 20.8-175.7 -86.4 122.0 9.4 -2.4 51.0 84 85 A C E -BD 46 184A 0 -38,-2.4 -38,-1.7 -2,-0.6 2,-0.3 -0.921 13.1-153.5-121.6 146.7 7.4 -5.7 50.4 85 86 A A E -BD 45 183A 1 98,-2.4 98,-1.8 -2,-0.4 -40,-0.2 -0.830 30.1-102.7-114.5 153.5 6.6 -7.7 47.3 86 87 A K E - D 0 182A 15 -42,-1.9 96,-0.3 -2,-0.3 3,-0.1 -0.425 22.9-141.9 -68.2 150.4 3.7 -10.0 46.7 87 88 A T S S+ 0 0 66 94,-2.0 2,-0.3 1,-0.3 -1,-0.1 0.634 83.2 11.5 -90.1 -15.4 4.6 -13.6 47.0 88 89 A A S S- 0 0 51 93,-0.4 2,-0.9 46,-0.1 -1,-0.3 -0.958 76.7-118.2-159.8 140.9 2.4 -14.7 44.1 89 90 A M - 0 0 6 -2,-0.3 2,-0.2 -3,-0.1 45,-0.1 -0.746 37.6-170.3 -88.1 105.3 0.5 -12.9 41.4 90 91 A D >> - 0 0 64 -2,-0.9 4,-1.6 1,-0.1 3,-0.5 -0.620 32.8-121.1 -94.2 153.3 -3.2 -13.6 41.8 91 92 A D H 3> S+ 0 0 88 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.863 110.0 66.0 -59.2 -35.9 -5.9 -12.8 39.4 92 93 A A H 3> S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.909 103.4 45.2 -52.3 -46.4 -7.6 -10.7 42.1 93 94 A W H <> S+ 0 0 22 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.914 110.5 52.9 -64.8 -45.1 -4.8 -8.2 42.1 94 95 A L H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.875 108.8 51.4 -59.2 -37.5 -4.6 -8.0 38.3 95 96 A E H X S+ 0 0 98 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.909 107.0 52.7 -67.2 -41.6 -8.3 -7.2 38.2 96 97 A R H X S+ 0 0 97 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.906 108.2 52.3 -60.2 -41.5 -7.8 -4.4 40.8 97 98 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.951 112.7 41.8 -61.1 -51.5 -5.1 -2.9 38.6 98 99 A V H X S+ 0 0 4 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.876 113.8 52.5 -67.3 -35.3 -7.1 -2.8 35.4 99 100 A D H X S+ 0 0 79 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.877 109.4 49.9 -67.3 -35.0 -10.3 -1.6 37.2 100 101 A Q H X S+ 0 0 45 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.899 108.1 53.4 -68.9 -39.0 -8.3 1.2 38.8 101 102 A E H <>S+ 0 0 7 -4,-2.1 5,-2.2 1,-0.2 6,-0.3 0.902 109.8 48.0 -62.6 -38.8 -7.0 2.2 35.4 102 103 A E H ><5S+ 0 0 99 -4,-2.0 3,-1.5 1,-0.2 5,-0.2 0.898 109.1 53.5 -67.4 -39.6 -10.5 2.4 34.1 103 104 A A H 3<5S+ 0 0 78 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.859 106.7 52.9 -62.8 -34.0 -11.6 4.5 37.1 104 105 A D T 3<5S- 0 0 54 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.399 121.0-109.2 -83.1 2.8 -8.8 6.9 36.3 105 106 A G T < 5S+ 0 0 43 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.802 74.3 135.6 77.4 33.0 -9.9 7.3 32.7 106 107 A R < + 0 0 50 -5,-2.2 2,-0.4 313,-0.1 -4,-0.2 0.545 58.2 67.9 -88.8 -6.5 -7.2 5.4 30.9 107 108 A F - 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0 0 0 -3,-0.8 109,-0.1 -4,-0.5 7,-0.1 -0.374 64.8-117.7 -63.9 144.5 23.1 4.5 41.4 254 38 B P + 0 0 7 0, 0.0 2,-0.3 0, 0.0 111,-0.1 -0.312 36.2 178.6 -78.1 171.6 23.5 2.9 44.8 255 39 B S > - 0 0 18 -93,-0.1 3,-2.5 106,-0.1 2,-0.1 -0.952 42.8 -67.7-166.2 157.3 23.6 -0.9 45.2 256 40 B S G > S- 0 0 23 1,-0.3 3,-2.0 -2,-0.3 4,-0.1 -0.343 121.1 -8.5 -57.3 125.4 24.0 -3.4 48.0 257 41 B T G 3 S- 0 0 37 1,-0.3 -1,-0.3 2,-0.1 80,-0.1 0.626 116.7 -81.3 58.8 17.0 27.6 -3.2 49.3 258 42 B N G < S+ 0 0 16 -3,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.850 85.5 154.2 58.5 34.6 28.2 -0.9 46.4 259 43 B S < - 0 0 0 -3,-2.0 3,-0.1 1,-0.1 -2,-0.1 0.710 30.4-163.6 -66.7 -23.3 28.6 -4.1 44.4 260 44 B Q - 0 0 0 1,-0.2 2,-2.5 -7,-0.1 -1,-0.1 0.849 11.0-177.8 37.5 51.8 27.6 -2.3 41.1 261 45 B P + 0 0 0 0, 0.0 42,-2.0 0, 0.0 2,-0.3 -0.224 43.4 97.3 -75.0 53.9 26.9 -5.8 39.5 262 46 B W E - J 0 302C 0 -2,-2.5 2,-0.3 40,-0.3 40,-0.2 -0.867 51.1-164.0-143.2 170.2 26.1 -4.2 36.2 263 47 B H E - J 0 301C 16 38,-1.7 38,-2.2 -2,-0.3 2,-0.4 -0.975 17.3-150.3-150.8 143.5 27.0 -3.2 32.7 264 48 B F E -hJ 213 300C 0 -52,-3.3 -50,-2.7 -2,-0.3 2,-0.6 -0.962 6.6-156.6-125.3 136.2 25.2 -0.8 30.3 265 49 B I E -hJ 214 299C 3 34,-1.8 34,-2.9 -2,-0.4 2,-0.7 -0.946 13.2-166.1-105.4 121.4 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 -0.896 6.6-168.5-112.9 100.8 24.1 2.8 25.5 267 51 B A E + J 0 297C 0 30,-2.8 30,-2.7 -2,-0.7 -52,-0.1 -0.801 26.8 147.4 -95.1 121.8 23.1 2.7 21.8 268 52 B S + 0 0 48 -52,-3.0 -1,-0.1 -2,-0.6 2,-0.1 0.541 47.7 87.7-125.2 -18.9 22.8 6.1 20.0 269 53 B T S > S- 0 0 68 -53,-0.9 4,-2.5 1,-0.1 5,-0.3 -0.472 85.1-115.0 -80.8 157.8 23.8 5.2 16.4 270 54 B E H > S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.924 117.3 44.4 -59.2 -44.9 21.1 4.0 14.0 271 55 B E H > S+ 0 0 145 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 110.9 55.1 -67.0 -39.8 22.7 0.6 13.6 272 56 B G H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.935 112.3 41.7 -57.1 -48.6 23.3 0.3 17.4 273 57 B K H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.893 111.6 56.4 -66.4 -38.8 19.6 0.9 18.1 274 58 B A H X S+ 0 0 45 -4,-2.3 4,-0.8 -5,-0.3 -1,-0.2 0.864 105.4 52.0 -60.7 -36.6 18.6 -1.3 15.2 275 59 B R H < S+ 0 0 71 -4,-2.3 3,-0.5 2,-0.2 4,-0.3 0.888 111.5 45.6 -67.8 -38.6 20.6 -4.1 16.8 276 60 B V H >< S+ 0 0 0 -4,-1.6 3,-2.0 1,-0.2 -2,-0.2 0.921 106.7 60.6 -68.1 -42.1 18.9 -3.7 20.1 277 61 B A H >< S+ 0 0 4 -4,-3.0 3,-2.0 1,-0.3 -1,-0.2 0.700 84.6 78.7 -57.7 -22.2 15.5 -3.5 18.3 278 62 B K G >< S+ 0 0 111 -4,-0.8 3,-0.5 -3,-0.5 -1,-0.3 0.835 86.3 61.0 -55.9 -32.3 16.2 -7.0 17.0 279 63 B S G < S+ 0 0 0 -3,-2.0 105,-2.3 -4,-0.3 -1,-0.3 0.620 89.8 70.2 -71.6 -13.5 15.0 -8.2 20.4 280 64 B A G < S+ 0 0 0 -3,-2.0 8,-0.3 -4,-0.2 -1,-0.3 -0.210 75.6 133.4 -97.5 42.7 11.6 -6.7 20.0 281 65 B A X - 0 0 56 -3,-0.5 3,-1.4 -2,-0.1 2,-0.2 -0.501 59.2 -5.5 -92.1 161.6 10.6 -9.2 17.3 282 66 B G G > S+ 0 0 62 1,-0.3 3,-2.0 2,-0.2 4,-0.2 -0.394 136.2 11.0 64.3-125.6 7.3 -11.2 17.0 283 67 B T G > S+ 0 0 83 1,-0.3 3,-0.6 -2,-0.2 -1,-0.3 0.855 132.0 54.1 -52.4 -40.0 5.0 -10.7 20.0 284 68 B Y G X S+ 0 0 39 -3,-1.4 3,-2.7 1,-0.2 4,-0.3 0.357 70.6 110.3 -80.2 5.0 7.2 -7.8 21.2 285 69 B V G X> + 0 0 76 -3,-2.0 3,-1.6 1,-0.3 4,-0.5 0.746 62.9 75.8 -54.7 -22.3 7.1 -5.8 18.0 286 70 B F G <4 S+ 0 0 108 -3,-0.6 -1,-0.3 1,-0.3 4,-0.1 0.602 97.4 48.2 -65.9 -7.6 4.9 -3.2 19.7 287 71 B N G <> S+ 0 0 11 -3,-2.7 4,-1.4 -7,-0.2 -1,-0.3 0.449 87.4 89.5-107.2 -5.7 8.2 -2.1 21.4 288 72 B E H <> S+ 0 0 73 -3,-1.6 4,-2.0 -8,-0.3 3,-0.3 0.924 85.3 48.2 -59.2 -51.0 10.3 -1.9 18.2 289 73 B R H X S+ 0 0 139 -4,-0.5 4,-2.8 1,-0.2 5,-0.3 0.804 105.5 60.1 -63.1 -29.7 9.6 1.7 17.2 290 74 B K H > S+ 0 0 14 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.925 109.6 42.9 -62.8 -43.6 10.3 2.9 20.8 291 75 B M H < S+ 0 0 0 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.855 117.8 45.8 -70.7 -36.3 13.8 1.5 20.5 292 76 B L H < S+ 0 0 37 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.882 116.9 40.6 -75.4 -40.4 14.3 2.8 16.9 293 77 B D H < S+ 0 0 38 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.751 91.7 96.3 -83.4 -26.7 13.0 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 -0.212 75.0-129.4 -61.2 157.0 14.5 7.2 20.8 295 79 B S S S+ 0 0 2 112,-1.2 2,-0.4 1,-0.3 113,-0.2 0.955 90.7 16.8 -72.8 -53.0 17.7 9.1 20.9 296 80 B H E - K 0 407C 22 111,-2.1 111,-3.0 2,-0.0 2,-0.6 -0.988 67.3-160.7-126.4 130.6 19.6 6.9 23.3 297 81 B V E -JK 267 406C 0 -30,-2.7 -30,-2.8 -2,-0.4 2,-0.5 -0.951 9.7-157.9-114.6 116.8 18.6 3.3 24.2 298 82 B V E -JK 266 405C 0 107,-2.3 107,-3.3 -2,-0.6 2,-0.7 -0.822 3.6-157.9 -98.6 126.0 20.1 1.9 27.4 299 83 B V E -JK 265 404C 0 -34,-2.9 -34,-1.8 -2,-0.5 2,-0.6 -0.907 13.0-148.9-102.3 113.3 20.3 -1.8 27.9 300 84 B F E -JK 264 403C 0 103,-3.3 102,-2.8 -2,-0.7 103,-1.3 -0.743 21.6-176.8 -84.3 120.5 20.5 -2.6 31.6 301 85 B C E -JK 263 401C 0 -38,-2.2 -38,-1.7 -2,-0.6 2,-0.3 -0.901 15.9-150.7-121.5 149.2 22.6 -5.8 32.2 302 86 B A E -JK 262 400C 3 98,-2.2 98,-1.5 -2,-0.3 -40,-0.3 -0.864 30.8-104.4-114.1 149.1 23.4 -7.7 35.4 303 87 B K E - K 0 399C 18 -42,-2.0 96,-0.3 -2,-0.3 3,-0.1 -0.388 24.1-137.5 -65.5 152.9 26.6 -9.8 35.9 304 88 B T S S+ 0 0 63 94,-1.7 2,-0.3 1,-0.3 -1,-0.1 0.646 83.5 12.1 -88.1 -16.5 25.9 -13.5 35.6 305 89 B A S S- 0 0 52 93,-0.4 2,-0.9 46,-0.1 -1,-0.3 -0.967 74.9-119.6-159.4 142.0 28.0 -14.4 38.6 306 90 B M - 0 0 8 -2,-0.3 2,-0.2 -3,-0.1 45,-0.1 -0.757 36.0-167.6 -89.9 105.7 29.7 -12.5 41.4 307 91 B D > - 0 0 64 -2,-0.9 4,-1.6 1,-0.1 3,-0.4 -0.581 30.9-120.4 -92.2 154.2 33.5 -13.1 41.2 308 92 B D H > S+ 0 0 97 1,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.872 111.6 61.5 -58.3 -39.3 36.1 -12.3 43.8 309 93 B A H > S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 104.2 48.5 -54.8 -44.7 37.9 -10.0 41.4 310 94 B W H > S+ 0 0 20 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.906 110.8 50.5 -63.5 -42.0 34.8 -7.8 41.1 311 95 B L H X S+ 0 0 2 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.901 111.6 47.9 -63.3 -41.5 34.5 -7.6 44.8 312 96 B E H X S+ 0 0 70 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.897 107.5 57.1 -65.9 -39.8 38.1 -6.7 45.2 313 97 B R H X S+ 0 0 90 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.917 105.6 50.8 -55.9 -46.7 37.7 -4.0 42.5 314 98 B V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.932 114.1 41.5 -59.5 -49.7 34.9 -2.3 44.4 315 99 B V H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.901 115.2 51.3 -67.6 -38.4 36.9 -2.1 47.7 316 100 B D H X S+ 0 0 67 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.835 110.1 50.1 -66.5 -31.9 40.1 -1.1 45.9 317 101 B Q H X S+ 0 0 43 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.889 109.8 49.9 -72.5 -39.4 38.2 1.6 44.1 318 102 B E H <>S+ 0 0 7 -4,-2.1 5,-2.7 2,-0.2 6,-0.3 0.877 112.6 47.7 -66.1 -35.4 36.7 2.9 47.3 319 103 B E H ><5S+ 0 0 96 -4,-2.2 3,-2.2 3,-0.2 5,-0.3 0.949 111.4 50.2 -67.0 -49.0 40.2 2.9 48.8 320 104 B A H 3<5S+ 0 0 78 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.832 108.2 53.9 -57.7 -34.3 41.5 4.7 45.7 321 105 B D T 3<5S- 0 0 58 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.394 120.0-112.7 -82.3 2.8 38.7 7.2 46.1 322 106 B G T < 5S+ 0 0 43 -3,-2.2 -3,-0.2 -5,-0.1 -2,-0.1 0.807 71.9 137.9 73.1 33.2 39.8 7.9 49.7 323 107 B R < + 0 0 44 -5,-2.7 2,-0.6 1,-0.1 -4,-0.2 0.530 58.0 70.8 -86.6 -4.1 36.8 6.4 51.6 324 108 B F - 0 0 38 -6,-0.3 -1,-0.1 -5,-0.3 -2,-0.1 -0.921 51.1-178.3-120.1 110.9 39.1 4.7 54.2 325 109 B N S S+ 0 0 143 -2,-0.6 -1,-0.1 1,-0.1 -2,-0.0 0.748 78.5 23.7 -72.9 -25.6 40.9 6.8 56.7 326 110 B T S > S- 0 0 63 1,-0.1 4,-1.6 0, 0.0 3,-0.4 -0.934 80.3-114.1-138.6 160.5 42.6 3.7 58.2 327 111 B P H > S+ 0 0 96 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.830 118.2 59.1 -62.9 -30.5 43.4 0.2 57.1 328 112 B E H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.860 101.5 54.1 -65.9 -35.8 40.9 -1.0 59.7 329 113 B A H > S+ 0 0 35 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.926 110.2 45.6 -64.8 -43.9 38.2 1.0 57.9 330 114 B K H X S+ 0 0 54 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.918 112.3 51.9 -64.9 -42.8 39.0 -0.8 54.6 331 115 B A H X S+ 0 0 56 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.905 107.5 51.8 -60.0 -44.1 39.1 -4.2 56.3 332 116 B A H X S+ 0 0 61 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.901 112.0 47.0 -60.6 -41.0 35.7 -3.6 57.8 333 117 B N H X S+ 0 0 44 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.921 113.6 47.0 -67.7 -43.7 34.3 -2.7 54.4 334 118 B H H X S+ 0 0 61 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.917 112.5 51.0 -63.3 -43.6 35.9 -5.7 52.7 335 119 B K H X S+ 0 0 150 -4,-3.1 4,-2.4 -5,-0.2 -2,-0.2 0.933 110.8 48.4 -59.3 -48.3 34.7 -8.0 55.5 336 120 B G H X S+ 0 0 26 -4,-2.4 4,-1.9 -5,-0.2 5,-0.2 0.926 112.5 46.5 -59.9 -48.5 31.2 -6.8 55.2 337 121 B R H X S+ 0 0 7 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.922 112.7 50.4 -61.5 -44.4 31.0 -7.1 51.4 338 122 B T H X S+ 0 0 39 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.931 107.7 54.0 -59.3 -47.0 32.5 -10.6 51.5 339 123 B Y H X S+ 0 0 107 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.918 117.5 34.3 -54.9 -49.1 30.1 -11.8 54.2 340 124 B F H X S+ 0 0 46 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.810 114.4 56.0 -80.6 -29.6 27.0 -10.8 52.2 341 125 B A H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.2 3,-0.3 0.938 112.4 45.7 -64.8 -43.4 28.3 -11.5 48.7 342 126 B D H X>S+ 0 0 53 -4,-2.8 4,-3.1 -5,-0.3 5,-1.5 0.844 102.3 64.0 -66.6 -35.7 29.0 -15.1 50.1 343 127 B M H <>S+ 0 0 34 -4,-1.4 5,-2.3 -5,-0.2 6,-0.3 0.889 115.8 32.0 -56.2 -37.1 25.5 -15.2 51.7 344 128 B H H <5S+ 0 0 17 -4,-1.4 6,-2.4 -3,-0.3 7,-0.9 0.863 121.8 47.4 -87.7 -39.6 24.2 -15.0 48.1 345 129 B R H <5S+ 0 0 38 -4,-2.9 -3,-0.2 4,-0.2 -2,-0.2 0.797 135.0 5.7 -72.6 -30.1 26.9 -16.8 46.2 346 130 B V T <5S+ 0 0 86 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.752 128.1 46.9-117.9 -61.4 27.1 -19.8 48.6 347 131 B D T + 0 0 36 -6,-2.4 4,-2.4 -7,-0.1 3,-0.4 0.073 19.3 123.9-134.5 25.7 21.0 -16.8 44.4 351 135 B D H > S+ 0 0 25 -7,-0.9 4,-2.5 1,-0.2 5,-0.2 0.797 73.9 60.8 -60.3 -26.2 23.6 -14.1 43.5 352 136 B D H > S+ 0 0 74 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.943 109.9 40.2 -65.6 -44.3 22.2 -14.0 40.0 353 137 B Q H > S+ 0 0 49 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.868 113.8 55.1 -70.5 -36.4 18.8 -12.8 41.4 354 138 B W H X S+ 0 0 3 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.920 110.9 43.8 -62.6 -45.5 20.5 -10.6 44.0 355 139 B M H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.881 110.2 55.7 -68.8 -37.3 22.5 -8.7 41.3 356 140 B A H X S+ 0 0 5 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.882 104.7 54.5 -61.6 -37.9 19.4 -8.5 39.0 357 141 B K H X S+ 0 0 26 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.898 105.4 52.1 -63.4 -39.0 17.6 -6.8 41.9 358 142 B Q H X S+ 0 0 2 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.873 107.7 53.3 -64.8 -35.6 20.4 -4.2 42.1 359 143 B V H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.893 107.0 50.2 -67.2 -39.1 20.0 -3.6 38.4 360 144 B Y H X S+ 0 0 7 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.856 107.6 54.4 -67.0 -33.0 16.3 -2.9 38.7 361 145 B L H X S+ 0 0 7 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.950 107.2 51.2 -63.5 -44.1 17.0 -0.5 41.5 362 146 B N H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.918 107.7 53.0 -57.0 -43.9 19.3 1.2 39.1 363 147 B V H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.914 107.8 50.3 -58.4 -43.6 16.5 1.4 36.6 364 148 B G H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.901 112.1 47.5 -61.3 -41.6 14.2 3.0 39.1 365 149 B N H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.934 113.3 50.1 -62.3 -47.7 16.8 5.6 39.9 366 150 B F H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.909 106.5 51.8 -59.6 -49.7 17.3 6.2 36.2 367 151 B L H X S+ 0 0 4 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.903 114.1 43.4 -59.1 -42.0 13.7 6.7 35.2 368 152 B L H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.911 114.2 53.3 -69.6 -39.5 13.2 9.3 37.9 369 153 B G H X S+ 0 0 0 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.944 109.9 43.6 -60.0 -53.4 16.5 10.9 37.0 370 154 B V H <>S+ 0 0 2 -4,-3.1 5,-2.6 1,-0.2 3,-0.4 0.871 112.3 56.6 -62.3 -32.9 15.8 11.3 33.3 371 155 B G H ><5S+ 0 0 18 -4,-1.6 3,-1.4 -5,-0.3 -1,-0.2 0.921 105.3 49.6 -62.7 -43.0 12.4 12.5 34.2 372 156 B A H 3<5S+ 0 0 37 -4,-2.3 -1,-0.2 1,-0.3 -370,-0.2 0.678 105.3 59.0 -69.3 -17.5 13.9 15.2 36.4 373 157 B M T 3<5S- 0 0 23 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.503 120.2-110.0 -87.1 -6.1 16.1 16.2 33.5 374 158 B G T < 5S+ 0 0 35 -3,-1.4 126,-0.3 -4,-0.3 2,-0.3 0.648 76.8 133.4 85.4 15.3 13.1 16.9 31.3 375 159 B L < - 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