==== 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 OXIDOREDUCTASE 14-OCT-03 1UPX . COMPND 2 MOLECULE: HYDROXYLAMINE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO DESULFURICANS; . AUTHOR D.ARAGAO,S.MACEDO,E.P.MITCHELL,P.F.LINDLEY . 1086 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39498.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 780 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 1.8 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 60 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 408 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.3 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 2 6 2 2 4 2 4 2 0 0 0 0 1 1 0 0 0 0 1 3 0 0 0 2 RESIDUES PER ALPHA HELIX . 6 2 12 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 PARALLEL BRIDGES PER LADDER . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 4 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 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 0 175 0, 0.0 2,-0.3 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 125.7 28.4 1.6 -13.2 2 2 A N - 0 0 106 1,-0.1 18,-0.1 3,-0.0 3,-0.1 -0.611 360.0-150.1 -84.4 137.7 24.8 2.3 -12.3 3 3 A A S S- 0 0 70 16,-1.2 2,-0.3 -2,-0.3 17,-0.2 0.742 83.7 -7.8 -71.6 -25.9 23.6 5.7 -11.1 4 4 A M - 0 0 12 15,-1.5 2,-0.3 27,-0.1 -1,-0.2 -0.959 57.7-148.1-155.0 169.7 20.9 3.9 -9.1 5 5 A F + 0 0 32 -2,-0.3 126,-0.4 23,-0.1 2,-0.3 -0.849 27.9 151.2-148.3 118.7 19.3 0.6 -8.5 6 6 A C B +A 18 0A 20 12,-1.5 12,-3.1 -2,-0.3 10,-0.1 -0.983 8.9 158.4-144.4 132.8 15.7 0.2 -7.6 7 7 A Y + 0 0 13 -2,-0.3 507,-0.4 10,-0.2 506,-0.3 0.078 38.2 117.6-138.4 27.5 13.5 -2.8 -8.4 8 8 A Q + 0 0 5 505,-0.1 2,-0.3 504,-0.1 67,-0.1 0.593 65.0 57.6 -81.9 -13.4 10.7 -2.5 -5.8 9 9 A C S > S- 0 0 13 478,-0.1 3,-1.5 1,-0.1 504,-0.3 -0.753 86.7-109.6-118.9 168.0 7.7 -2.0 -8.1 10 10 A Q T 3 S+ 0 0 11 476,-2.1 477,-0.1 1,-0.3 476,-0.1 0.755 112.2 58.8 -64.4 -27.5 6.1 -4.0 -10.9 11 11 A E T 3 S+ 0 0 23 475,-0.2 -1,-0.3 3,-0.1 3,-0.2 0.325 71.5 142.9 -89.3 9.3 7.1 -1.5 -13.6 12 12 A T X - 0 0 6 -3,-1.5 3,-2.4 1,-0.2 -5,-0.1 -0.138 67.3 -81.6 -55.4 143.0 10.9 -1.7 -12.9 13 13 A V G >> S- 0 0 74 1,-0.3 4,-2.4 2,-0.2 3,-2.4 -0.186 108.1 -11.3 -55.6 128.3 12.9 -1.5 -16.2 14 14 A G G 34 S- 0 0 65 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.547 112.7 -81.1 65.4 12.3 13.1 -4.9 -18.0 15 15 A N G <4 S+ 0 0 60 -3,-2.4 -1,-0.3 -4,-0.1 -2,-0.2 0.835 127.6 83.9 49.5 39.9 11.6 -6.5 -14.9 16 16 A K T <4 S- 0 0 166 -3,-2.4 2,-0.2 -10,-0.1 -2,-0.2 0.590 98.7 -57.4-131.7 -47.3 15.2 -6.4 -13.7 17 17 A G < - 0 0 5 -4,-2.4 2,-0.6 -6,-0.1 -10,-0.2 -0.677 36.9-105.5 160.8 142.8 15.9 -2.9 -12.2 18 18 A C B +A 6 0A 9 -12,-3.1 -12,-1.5 -2,-0.2 4,-0.1 -0.805 41.8 164.8 -84.0 118.7 15.8 0.8 -12.8 19 19 A T S S+ 0 0 40 -2,-0.6 -15,-1.5 2,-0.2 -16,-1.2 0.516 70.7 23.7-116.5 -10.9 19.5 1.8 -13.1 20 20 A Q S S- 0 0 151 1,-0.5 2,-0.3 -17,-0.2 -2,-0.1 0.695 132.1 -11.7-119.9 -60.0 19.5 5.3 -14.6 21 21 A V S S- 0 0 78 6,-0.1 -1,-0.5 7,-0.1 -2,-0.2 -0.983 77.3-102.7-142.0 146.6 16.1 6.9 -13.8 22 22 A G > - 0 0 8 4,-3.0 3,-1.7 -2,-0.3 -10,-0.1 -0.428 18.3-130.7 -67.8 143.9 13.0 5.3 -12.4 23 23 A V T 3 S+ 0 0 70 1,-0.3 -1,-0.1 2,-0.1 -11,-0.1 0.834 114.6 57.7 -56.4 -31.5 10.1 4.5 -14.7 24 24 A C T 3 S- 0 0 16 2,-0.1 -1,-0.3 286,-0.1 -2,-0.1 0.566 128.6-101.2 -73.9 -12.7 8.1 6.2 -12.0 25 25 A G < + 0 0 26 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.295 70.0 151.9 106.1 -5.2 10.2 9.4 -12.4 26 26 A K - 0 0 11 -5,-0.1 -4,-3.0 4,-0.1 -1,-0.3 -0.416 37.8-140.4 -65.4 121.2 12.5 8.8 -9.4 27 27 A K > - 0 0 141 -2,-0.3 4,-2.6 -6,-0.2 3,-0.3 -0.403 21.8-107.5 -81.4 156.4 15.8 10.4 -10.1 28 28 A P H > S+ 0 0 38 0, 0.0 4,-2.2 0, 0.0 -23,-0.1 0.840 118.4 49.6 -58.0 -37.4 19.1 8.8 -9.0 29 29 A E H > S+ 0 0 100 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.879 111.6 50.1 -70.2 -34.2 19.9 11.2 -6.2 30 30 A T H > S+ 0 0 4 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.937 111.1 49.0 -62.6 -46.1 16.3 10.7 -4.9 31 31 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.892 110.6 51.6 -58.7 -39.7 16.8 7.0 -5.1 32 32 A A H X S+ 0 0 16 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.921 108.5 49.7 -66.1 -44.9 20.1 7.3 -3.2 33 33 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.896 110.5 50.5 -63.5 -37.5 18.6 9.3 -0.4 34 34 A Q H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.918 110.1 50.7 -65.6 -39.4 15.8 6.7 -0.1 35 35 A D H X S+ 0 0 28 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.911 112.1 46.6 -62.5 -43.4 18.5 4.0 0.1 36 36 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.902 111.6 52.3 -64.2 -40.8 20.4 5.9 2.8 37 37 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.911 109.7 47.5 -63.7 -43.4 17.1 6.5 4.7 38 38 A I H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.917 110.8 54.0 -63.8 -41.1 16.2 2.8 4.7 39 39 A Y H X S+ 0 0 31 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.951 112.1 41.0 -58.8 -52.9 19.8 2.0 5.8 40 40 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.797 111.2 58.4 -71.1 -24.8 19.7 4.2 8.9 41 41 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.899 105.9 48.9 -67.2 -40.6 16.1 3.2 9.6 42 42 A K H X S+ 0 0 6 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.893 110.5 51.7 -62.5 -38.6 17.3 -0.4 9.8 43 43 A G H X S+ 0 0 0 -4,-1.8 4,-2.1 68,-0.2 -2,-0.2 0.920 109.1 49.6 -62.9 -44.9 20.1 0.8 12.1 44 44 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.911 107.6 55.3 -58.8 -41.8 17.5 2.6 14.3 45 45 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.891 106.8 50.3 -59.8 -40.3 15.5 -0.6 14.4 46 46 A Q H X S+ 0 0 35 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.939 111.8 46.7 -63.3 -46.2 18.5 -2.5 15.7 47 47 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.933 113.9 47.5 -63.8 -45.3 19.1 0.0 18.5 48 48 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.899 111.5 51.5 -62.1 -40.3 15.5 0.1 19.5 49 49 A T H X S+ 0 0 32 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.918 109.7 49.5 -62.1 -41.9 15.3 -3.7 19.5 50 50 A R H X S+ 0 0 57 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.893 109.3 52.3 -66.7 -38.6 18.4 -3.8 21.7 51 51 A L H <>S+ 0 0 0 -4,-2.4 5,-2.8 2,-0.2 4,-0.5 0.928 108.2 50.3 -62.1 -44.4 16.8 -1.3 24.1 52 52 A R H ><5S+ 0 0 59 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.921 109.4 51.9 -59.8 -41.1 13.7 -3.4 24.4 53 53 A A H 3<5S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.765 107.1 52.6 -67.1 -27.2 15.8 -6.5 25.1 54 54 A E T 3<5S- 0 0 58 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.490 122.3-109.2 -82.5 -5.0 17.6 -4.5 27.9 55 55 A G T < 5S+ 0 0 71 -3,-1.3 2,-0.3 -4,-0.5 -3,-0.2 0.679 73.2 140.1 83.5 21.7 14.2 -3.7 29.4 56 56 A K < - 0 0 67 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.749 54.5-108.7-101.8 142.9 14.4 -0.0 28.4 57 57 A A - 0 0 97 -2,-0.3 2,-0.5 1,-0.0 -1,-0.1 -0.363 21.6-158.5 -69.3 144.6 11.4 2.0 27.0 58 58 A V - 0 0 19 -2,-0.1 5,-0.1 -7,-0.0 -1,-0.0 -0.983 24.1-127.6-122.5 116.7 11.3 3.1 23.4 59 59 A D >> - 0 0 110 -2,-0.5 3,-1.7 1,-0.1 4,-0.9 -0.259 14.9-119.4 -68.3 150.0 9.0 6.0 22.9 60 60 A H H 3> S+ 0 0 31 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.724 109.1 73.5 -62.4 -21.9 6.2 5.8 20.3 61 61 A R H 3> S+ 0 0 196 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.843 95.2 53.0 -57.8 -33.6 7.8 8.8 18.5 62 62 A I H <> S+ 0 0 16 -3,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.911 106.0 52.1 -66.4 -43.4 10.5 6.4 17.4 63 63 A D H X S+ 0 0 3 -4,-0.9 4,-2.5 1,-0.2 -2,-0.2 0.891 110.0 49.5 -56.3 -42.2 7.8 4.1 16.0 64 64 A R H X S+ 0 0 70 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.850 108.3 52.4 -70.0 -35.8 6.4 7.0 14.0 65 65 A L H X S+ 0 0 22 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.932 111.6 47.3 -62.4 -46.5 9.8 8.0 12.7 66 66 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.943 114.3 44.5 -62.9 -48.0 10.3 4.4 11.4 67 67 A T H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.896 114.3 50.0 -68.6 -38.6 6.9 4.1 9.8 68 68 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.894 110.2 50.7 -63.1 -39.9 7.2 7.5 8.2 69 69 A N H X S+ 0 0 0 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.937 112.9 45.0 -62.8 -47.2 10.6 6.7 6.9 70 70 A L H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 4,-0.2 0.945 113.7 49.2 -63.2 -45.5 9.5 3.5 5.3 71 71 A F H >< S+ 0 0 5 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.883 103.1 61.5 -64.1 -37.4 6.3 5.0 3.8 72 72 A A H 3< S+ 0 0 0 -4,-2.2 6,-0.5 1,-0.3 -1,-0.3 0.729 104.6 50.3 -61.6 -22.2 8.3 7.9 2.4 73 73 A T T << S+ 0 0 0 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.349 83.3 114.8 -99.7 3.5 10.2 5.4 0.3 74 74 A I S X> S- 0 0 2 -3,-1.8 3,-1.7 -4,-0.2 4,-0.5 -0.430 84.9 -79.4 -68.0 149.6 7.2 3.6 -1.1 75 75 A T T 34 S+ 0 0 8 1,-0.3 -1,-0.1 2,-0.1 412,-0.1 -0.233 114.5 4.9 -52.7 132.3 6.7 3.9 -4.9 76 76 A N T 34 S+ 0 0 4 232,-0.1 233,-2.8 231,-0.1 232,-0.4 0.716 104.4 104.8 64.5 27.7 5.2 7.2 -5.9 77 77 A A T <4 S+ 0 0 1 -3,-1.7 250,-1.8 1,-0.2 2,-0.4 0.881 81.9 7.3 -98.6 -55.2 5.2 8.6 -2.3 78 78 A N B < +b 327 0B 5 -4,-0.5 -1,-0.2 -6,-0.5 250,-0.2 -0.950 43.4 163.0-145.8 117.2 8.0 11.1 -2.1 79 79 A F + 0 0 17 248,-2.6 2,-0.9 -2,-0.4 250,-0.2 0.174 47.7 116.0-109.5 9.7 10.3 12.6 -4.7 80 80 A D > - 0 0 26 247,-0.2 4,-2.4 1,-0.2 3,-0.2 -0.733 45.2-168.6 -95.1 104.0 11.5 15.6 -2.6 81 81 A D H > S+ 0 0 29 -2,-0.9 4,-2.9 1,-0.2 5,-0.2 0.839 85.7 56.0 -62.5 -37.1 15.2 15.3 -1.9 82 82 A D H > S+ 0 0 119 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.922 111.2 44.6 -60.7 -43.1 15.2 18.1 0.7 83 83 A I H > S+ 0 0 71 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.921 114.5 48.8 -67.5 -42.7 12.6 16.2 2.7 84 84 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.926 110.5 49.8 -65.8 -44.0 14.3 12.9 2.3 85 85 A A H X S+ 0 0 3 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.890 110.4 51.5 -61.6 -38.9 17.7 14.2 3.4 86 86 A E H X S+ 0 0 89 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.890 106.1 53.6 -68.0 -36.0 16.1 15.8 6.4 87 87 A R H X S+ 0 0 21 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.887 106.8 53.2 -64.1 -35.6 14.5 12.5 7.4 88 88 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.942 111.3 45.9 -60.9 -45.4 18.0 10.9 7.1 89 89 A R H X S+ 0 0 77 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.919 112.0 50.4 -62.9 -44.6 19.3 13.6 9.6 90 90 A M H X S+ 0 0 72 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.876 112.0 48.6 -60.6 -39.1 16.3 13.2 11.9 91 91 A T H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.907 110.1 50.0 -71.9 -41.4 17.0 9.4 11.9 92 92 A C H X S+ 0 0 5 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.922 112.9 47.9 -60.1 -42.6 20.7 9.8 12.6 93 93 A A H X S+ 0 0 46 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.928 112.9 48.1 -64.2 -44.5 19.9 12.1 15.5 94 94 A A H X S+ 0 0 14 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.902 113.1 45.8 -65.9 -41.7 17.3 9.8 16.9 95 95 A K H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.852 109.5 54.9 -76.8 -28.1 19.4 6.7 16.8 96 96 A K H X S+ 0 0 112 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.930 111.5 45.7 -64.0 -44.5 22.5 8.5 18.3 97 97 A E H X S+ 0 0 145 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.900 114.1 47.8 -63.3 -43.1 20.3 9.5 21.2 98 98 A L H >< S+ 0 0 24 -4,-2.2 3,-1.0 1,-0.2 4,-0.4 0.902 108.9 53.9 -66.7 -40.2 18.8 6.0 21.6 99 99 A A H >< S+ 0 0 15 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.830 100.4 61.5 -63.8 -31.5 22.2 4.4 21.4 100 100 A A H 3< S+ 0 0 74 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.766 100.3 55.4 -63.3 -27.7 23.4 6.6 24.2 101 101 A S T << S+ 0 0 53 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.553 86.4 102.2 -84.7 -10.0 20.8 5.0 26.4 102 102 A L < - 0 0 3 -3,-1.1 3,-0.2 -4,-0.4 -51,-0.1 -0.524 59.3-156.7 -71.3 140.0 22.1 1.5 25.7 103 103 A T S S+ 0 0 107 1,-0.3 2,-0.6 -2,-0.2 -1,-0.2 0.913 87.3 39.3 -76.3 -48.1 24.2 -0.1 28.5 104 104 A D + 0 0 77 1,-0.1 -1,-0.3 -54,-0.1 -50,-0.0 -0.918 59.4 176.1-109.7 116.8 26.0 -2.4 26.0 105 105 A K > + 0 0 111 -2,-0.6 3,-1.3 -3,-0.2 -1,-0.1 0.370 39.1 127.2 -98.1 2.9 26.9 -1.0 22.6 106 106 A S T 3 + 0 0 78 1,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.274 69.7 19.0 -61.6 143.2 28.7 -4.1 21.4 107 107 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.2 0, 0.0 2,-0.2 0.555 79.2 154.6 77.9 6.6 27.6 -5.6 18.0 108 108 A L < - 0 0 18 -3,-1.3 -1,-0.3 1,-0.1 -65,-0.1 -0.513 42.3-121.0 -68.2 136.0 25.9 -2.5 16.7 109 109 A S > - 0 0 29 -2,-0.2 4,-1.7 -66,-0.1 5,-0.2 -0.200 20.6-106.5 -72.1 164.9 25.9 -2.5 12.9 110 110 A D H > S+ 0 0 76 1,-0.2 4,-3.3 2,-0.2 -1,-0.1 0.886 123.7 57.8 -56.0 -38.3 27.4 0.1 10.7 111 111 A A H 4 S+ 0 0 0 1,-0.2 -68,-0.2 2,-0.2 -1,-0.2 0.886 106.2 48.5 -60.0 -38.9 23.8 1.2 10.0 112 112 A A H 4 S+ 0 0 4 -69,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.866 122.2 33.6 -67.7 -34.5 23.3 1.8 13.7 113 113 A L H < S+ 0 0 107 -4,-1.7 -2,-0.2 2,-0.0 -1,-0.2 0.764 94.3 97.6 -95.4 -30.0 26.5 3.8 14.1 114 114 A W < + 0 0 44 -4,-3.3 2,-0.3 -5,-0.2 -71,-0.0 -0.355 46.2 168.9 -71.0 140.3 26.9 5.7 10.8 115 115 A E + 0 0 92 -2,-0.1 2,-0.3 -19,-0.0 -26,-0.1 -0.988 13.4 177.6-145.0 155.6 25.8 9.3 10.4 116 116 A A - 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0 0 25 1,-0.2 3,-2.0 2,-0.1 -2,-0.2 -0.138 59.3-141.3 -53.5 129.1 1.4 -1.5 -18.3 404 404 A K G > S+ 0 0 196 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.825 99.4 70.3 -52.4 -35.8 -0.5 -2.2 -21.6 405 405 A S G > S+ 0 0 58 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.668 76.6 80.8 -59.7 -20.4 -0.6 -5.9 -20.6 406 406 A R G X> + 0 0 0 -3,-2.0 3,-1.6 1,-0.3 4,-0.9 0.586 64.5 87.2 -70.6 -7.1 -3.1 -5.0 -17.8 407 407 A S H <> S+ 0 0 54 -3,-1.9 4,-2.6 1,-0.3 -1,-0.3 0.794 74.7 77.6 -52.0 -28.1 -5.8 -5.0 -20.5 408 408 A Y H <> S+ 0 0 7 -3,-2.0 4,-2.8 1,-0.2 -1,-0.3 0.867 88.4 51.8 -44.2 -47.3 -5.7 -8.7 -19.4 409 409 A Y H <> S+ 0 0 4 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.884 110.7 47.0 -69.8 -36.4 -7.6 -7.9 -16.2 410 410 A T H X S+ 0 0 36 -4,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.938 116.0 44.6 -63.4 -47.2 -10.4 -6.1 -18.1 411 411 A D H X S+ 0 0 85 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.873 112.6 51.7 -69.8 -37.2 -10.7 -8.9 -20.7 412 412 A F H X S+ 0 0 0 -4,-2.8 4,-1.0 -5,-0.3 -1,-0.2 0.948 112.3 46.3 -62.2 -49.2 -10.5 -11.6 -18.0 413 413 A A H >< S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.932 114.1 47.7 -58.6 -46.8 -13.3 -9.9 -16.1 414 414 A E H 3< S+ 0 0 98 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.827 113.5 48.7 -63.6 -33.9 -15.4 -9.4 -19.2 415 415 A G H 3< S+ 0 0 42 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.539 82.9 114.1 -87.1 -9.8 -14.9 -13.0 -20.3 416 416 A L S << S- 0 0 3 -4,-1.0 4,-0.1 -3,-0.7 123,-0.0 -0.353 78.6-102.8 -59.8 140.9 -15.8 -14.6 -16.9 417 417 A P > - 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0 0 15 -2,-0.9 -1,-0.2 1,-0.2 2,-0.1 0.579 35.7-156.1 -93.6 -12.5 -21.2 -7.2 -15.4 438 438 A G - 0 0 50 -3,-0.2 7,-2.5 6,-0.0 8,-0.3 -0.357 17.5 -74.3 80.0-149.8 -24.6 -7.6 -13.8 439 439 A D E -O 444 0G 97 5,-0.3 2,-0.5 6,-0.1 -18,-0.0 -0.938 16.8-131.9-150.3 162.3 -25.6 -9.6 -10.8 440 440 A I E > S-O 443 0G 16 3,-2.7 3,-2.3 -2,-0.3 -56,-0.1 -0.970 93.9 -23.8-123.3 111.5 -26.3 -13.2 -9.5 441 441 A G T 3 S- 0 0 81 -2,-0.5 -1,-0.1 1,-0.3 -57,-0.0 0.836 128.3 -51.4 55.3 33.5 -29.5 -13.4 -7.5 442 442 A G T 3 S+ 0 0 57 1,-0.3 -1,-0.3 0, 0.0 -4,-0.0 0.238 112.6 121.4 87.7 -12.6 -29.2 -9.7 -6.8 443 443 A I E < S-O 440 0G 29 -3,-2.3 -3,-2.7 -63,-0.1 -1,-0.3 -0.741 70.8-116.1 -79.9 120.8 -25.6 -10.0 -5.5 444 444 A P E -O 439 0G 28 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.246 12.1-130.6 -56.2 145.7 -23.4 -7.7 -7.8 445 445 A R S S+ 0 0 4 -7,-2.5 -23,-3.4 1,-0.2 2,-0.4 0.547 99.9 53.5 -79.4 -6.9 -20.8 -9.6 -9.8 446 446 A V E S-k 422 0E 26 -8,-0.3 2,-0.6 -25,-0.2 -23,-0.2 -0.981 70.7-172.2-122.4 119.4 -18.2 -7.1 -8.6 447 447 A L E -k 423 0E 9 -25,-2.9 -23,-2.7 -2,-0.4 2,-0.8 -0.934 8.3-159.9-111.2 105.8 -18.0 -6.8 -4.8 448 448 A D E -k 424 0E 5 -2,-0.6 -79,-2.1 -82,-0.3 -80,-2.1 -0.801 12.7-177.6 -93.2 110.6 -15.7 -4.0 -3.8 449 449 A A - 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0 0 17 -2,-0.3 -24,-0.2 -28,-0.1 3,-0.0 -0.965 16.8-174.0-155.7 147.4 74.4 17.9 24.0 661 117 B S + 0 0 80 -2,-0.3 2,-0.4 -25,-0.1 -28,-0.1 0.596 68.4 84.2-113.0 -23.5 72.1 14.8 24.1 662 118 B E S >> S- 0 0 137 1,-0.1 4,-1.6 -29,-0.0 3,-0.6 -0.690 73.4-141.1 -82.7 129.7 73.1 13.4 27.4 663 119 B K H 3> S+ 0 0 71 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.885 102.7 58.7 -54.5 -41.4 71.2 14.9 30.3 664 120 B S H 3> S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.869 104.7 50.1 -57.6 -38.7 74.4 14.8 32.4 665 121 B A H <> S+ 0 0 37 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.850 109.1 51.9 -68.9 -35.8 76.2 17.0 29.8 666 122 B M H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.923 110.0 48.9 -63.6 -44.7 73.3 19.4 29.9 667 123 B L H X S+ 0 0 37 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.894 111.0 50.1 -62.0 -41.1 73.6 19.6 33.7 668 124 B A H < S+ 0 0 80 -4,-2.0 3,-0.3 1,-0.2 4,-0.2 0.866 111.8 47.9 -68.0 -35.7 77.3 20.2 33.5 669 125 B K H >< S+ 0 0 44 -4,-1.9 3,-1.9 1,-0.2 4,-0.4 0.859 98.0 71.0 -69.0 -36.1 76.9 23.0 31.0 670 126 B A H >X S+ 0 0 4 -4,-1.9 3,-1.7 1,-0.3 4,-0.6 0.820 84.4 67.8 -55.7 -36.1 74.2 24.7 33.0 671 127 B G T 3< S+ 0 0 73 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.1 0.715 106.9 39.0 -59.1 -24.8 76.6 25.9 35.7 672 128 B T T <4 S+ 0 0 98 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.337 115.5 50.2-105.8 3.5 78.4 28.3 33.3 673 129 B V T <4 S+ 0 0 17 -3,-1.7 -2,-0.2 -4,-0.4 -3,-0.1 0.214 88.0 97.6-129.0 13.0 75.4 29.6 31.3 674 130 B G S >< S- 0 0 9 -4,-0.6 3,-1.7 -3,-0.1 4,-0.3 0.015 95.0 -65.0 -88.1-162.7 73.0 30.7 34.0 675 131 B V G > S+ 0 0 6 -126,-0.5 3,-1.3 1,-0.3 13,-0.1 0.887 130.2 54.2 -52.5 -46.5 72.1 34.0 35.6 676 132 B M G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -127,-0.1 8,-0.1 0.495 82.8 87.3 -77.4 -0.4 75.6 34.4 37.2 677 133 B A G < S+ 0 0 53 -3,-1.7 2,-0.7 7,-0.1 -1,-0.3 0.732 74.3 79.7 -66.4 -23.8 77.4 33.9 33.9 678 134 B T < - 0 0 14 -3,-1.3 6,-0.1 -4,-0.3 -5,-0.0 -0.796 67.3-165.9 -87.6 117.3 77.0 37.7 33.3 679 135 B T + 0 0 129 -2,-0.7 2,-0.3 5,-0.1 -1,-0.2 0.885 63.8 80.0 -73.9 -40.9 79.7 39.4 35.4 680 136 B D S > S- 0 0 78 1,-0.1 4,-2.6 2,-0.0 5,-0.2 -0.535 72.8-144.0 -74.9 130.3 78.4 43.0 35.3 681 137 B D H > S+ 0 0 92 -2,-0.3 4,-2.2 1,-0.2 379,-0.2 0.868 96.8 43.3 -64.5 -40.5 75.6 43.6 37.8 682 138 B D H > S+ 0 0 24 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.908 115.0 47.8 -75.7 -41.6 73.6 46.0 35.7 683 139 B V H > S+ 0 0 22 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.910 112.9 51.2 -61.8 -41.7 73.9 44.0 32.4 684 140 B R H X S+ 0 0 39 -4,-2.6 4,-2.1 2,-0.2 5,-0.3 0.957 110.7 47.8 -59.0 -49.9 72.9 40.9 34.4 685 141 B S H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.925 115.9 43.1 -58.1 -47.5 69.9 42.6 35.9 686 142 B L H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.908 110.8 54.5 -70.1 -41.1 68.7 43.9 32.5 687 143 B R H X S+ 0 0 15 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.903 115.3 40.1 -56.7 -42.9 69.4 40.7 30.6 688 144 B W H X S+ 0 0 15 -4,-2.1 4,-2.9 -5,-0.2 5,-0.2 0.881 111.5 55.0 -82.2 -34.2 67.3 38.7 33.0 689 145 B L H X S+ 0 0 5 -4,-2.6 4,-2.3 369,-0.3 -2,-0.2 0.941 113.7 44.1 -55.0 -47.5 64.5 41.3 33.4 690 146 B I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.930 112.1 52.1 -65.0 -45.3 64.2 41.2 29.6 691 147 B T H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.920 111.0 47.2 -57.6 -44.5 64.4 37.4 29.5 692 148 B F H X S+ 0 0 5 -4,-2.9 4,-1.8 2,-0.2 344,-0.3 0.911 111.1 51.1 -66.8 -39.8 61.6 37.2 32.1 693 149 B G H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.905 108.4 53.1 -58.6 -41.5 59.5 39.7 30.1 694 150 B L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.851 104.4 55.5 -65.8 -33.6 60.1 37.6 27.0 695 151 B K H X S+ 0 0 9 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.930 110.2 45.3 -62.4 -44.8 58.8 34.5 28.9 696 152 B G H X S+ 0 0 0 -4,-1.8 4,-2.0 336,-0.4 -2,-0.2 0.915 113.2 49.8 -63.5 -43.9 55.6 36.3 29.7 697 153 B M H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.909 109.7 52.3 -59.6 -43.4 55.3 37.6 26.1 698 154 B A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.866 105.5 54.6 -62.3 -39.3 55.9 34.1 24.8 699 155 B A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.954 112.7 41.8 -61.7 -48.0 53.1 32.7 27.0 700 156 B Y H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.913 114.5 51.5 -67.5 -40.1 50.5 35.1 25.7 701 157 B A H X S+ 0 0 6 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.884 108.3 53.1 -60.2 -39.3 51.8 34.7 22.1 702 158 B K H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.923 106.9 50.4 -67.6 -41.4 51.5 30.9 22.5 703 159 B H H X S+ 0 0 12 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.901 111.4 49.0 -62.1 -39.0 47.9 31.1 23.6 704 160 B A H ><>S+ 0 0 0 -4,-2.0 5,-2.5 1,-0.2 3,-0.5 0.921 110.5 51.4 -63.1 -41.1 47.1 33.3 20.6 705 161 B D H ><5S+ 0 0 8 -4,-2.3 3,-2.0 1,-0.3 -2,-0.2 0.875 102.1 59.3 -64.2 -40.7 48.9 30.8 18.4 706 162 B V H 3<5S+ 0 0 15 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.837 107.4 48.4 -54.1 -34.7 46.8 28.0 19.8 707 163 B L T <<5S- 0 0 21 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.251 129.8 -97.1 -94.5 10.8 43.8 29.9 18.5 708 164 B G T < 5S+ 0 0 50 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.544 85.4 120.9 93.2 10.2 45.3 30.4 15.1 709 165 B K < + 0 0 90 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.2 -0.926 24.7 145.7-115.6 122.2 46.8 33.9 15.5 710 166 B H - 0 0 80 -2,-0.5 2,-0.4 -5,-0.1 3,-0.1 -0.988 29.4-149.9-150.8 151.8 50.4 34.8 15.1 711 167 B E >> - 0 0 75 -2,-0.3 4,-2.0 1,-0.1 3,-0.6 -0.989 12.8-145.2-125.1 125.9 52.4 37.8 13.9 712 168 B N H 3> S+ 0 0 120 -2,-0.4 4,-3.0 1,-0.2 5,-0.2 0.866 101.4 57.9 -56.5 -39.0 55.8 37.6 12.3 713 169 B S H 3> S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.859 107.3 48.4 -61.8 -35.5 56.9 40.9 13.8 714 170 B L H <> S+ 0 0 1 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.947 114.8 42.3 -71.6 -48.4 56.2 39.5 17.3 715 171 B D H X S+ 0 0 6 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.916 114.9 52.1 -65.7 -38.2 58.0 36.2 16.8 716 172 B A H X S+ 0 0 27 -4,-3.0 4,-2.2 -5,-0.2 -2,-0.2 0.929 111.0 47.6 -61.8 -45.3 60.9 38.0 15.1 717 173 B F H X S+ 0 0 5 -4,-2.1 4,-3.0 -5,-0.2 5,-0.3 0.930 109.3 52.6 -61.8 -47.3 61.2 40.5 17.9 718 174 B M H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.915 113.2 44.4 -55.7 -42.9 61.1 37.8 20.6 719 175 B Q H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.861 113.9 49.2 -73.5 -34.6 64.0 36.0 18.9 720 176 B E H X S+ 0 0 69 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.891 111.4 49.6 -68.1 -43.0 66.0 39.1 18.2 721 177 B A H X S+ 0 0 0 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.919 109.6 51.5 -65.0 -42.3 65.6 40.2 21.9 722 178 B L H < S+ 0 0 0 -4,-2.1 3,-0.5 -5,-0.3 4,-0.3 0.936 110.4 49.8 -56.2 -46.4 66.7 36.8 23.1 723 179 B A H >< S+ 0 0 16 -4,-1.9 3,-1.8 1,-0.2 4,-0.3 0.901 106.6 55.5 -59.4 -41.0 69.8 37.1 20.8 724 180 B K H >< S+ 0 0 64 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.796 94.0 67.1 -66.9 -27.0 70.6 40.5 22.2 725 181 B T T 3< S+ 0 0 1 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.566 104.0 47.0 -70.6 -6.8 70.7 39.2 25.8 726 182 B L T < S+ 0 0 55 -3,-1.8 2,-0.8 -4,-0.3 -1,-0.3 0.376 86.6 104.5-105.6 -1.5 73.8 37.3 24.7 727 183 B D X - 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0 0 33 -2,-0.3 -1,-0.1 1,-0.2 2,-0.1 0.607 45.2-159.7 -92.4 -16.1 32.2 45.6 49.0 982 438 B G - 0 0 50 -3,-0.2 7,-2.5 6,-0.0 8,-0.3 -0.323 18.0 -70.2 78.0-151.0 28.8 46.1 47.2 983 439 B D E -D 988 0N 101 5,-0.3 2,-0.6 6,-0.1 -18,-0.0 -0.913 21.7-127.8-142.6 164.5 28.2 48.3 44.2 984 440 B I E > S-D 987 0N 22 3,-2.9 3,-2.0 -2,-0.3 -56,-0.1 -0.940 93.0 -30.9-119.3 103.7 27.9 52.0 43.2 985 441 B G T 3 S- 0 0 81 -2,-0.6 -1,-0.1 1,-0.3 -57,-0.0 0.844 128.7 -43.8 53.6 37.8 24.6 52.5 41.4 986 442 B G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 0, 0.0 -4,-0.0 0.203 114.1 117.2 94.5 -15.8 24.7 49.0 40.1 987 443 B I E < -D 984 0N 20 -3,-2.0 -3,-2.9 -63,-0.1 -1,-0.3 -0.782 69.8-123.1 -84.2 115.1 28.4 49.1 39.1 988 444 B P E -D 983 0N 20 0, 0.0 -5,-0.3 0, 0.0 -6,-0.0 -0.223 8.8-130.3 -57.9 146.5 30.1 46.4 41.3 989 445 B R S S+ 0 0 16 -7,-2.5 -23,-3.2 1,-0.2 2,-0.4 0.549 100.6 52.6 -79.6 -7.9 33.0 47.7 43.4 990 446 B V E S-z 966 0L 24 -8,-0.3 2,-0.6 -25,-0.2 -23,-0.2 -0.980 72.2-170.5-123.0 119.6 35.2 44.9 42.0 991 447 B L E -z 967 0L 8 -25,-3.1 -23,-2.7 -2,-0.4 2,-0.7 -0.933 7.3-159.2-111.7 107.3 35.3 44.7 38.2 992 448 B D E -z 968 0L 4 -2,-0.6 -80,-2.1 -82,-0.3 -79,-2.0 -0.806 12.8-178.1 -93.4 109.5 37.0 41.5 37.0 993 449 B A - 0 0 0 -25,-2.9 2,-0.4 -2,-0.7 -24,-0.2 0.591 48.1-110.7 -80.7 -17.4 38.2 41.9 33.4 994 450 B G + 0 0 0 -26,-0.4 -24,-2.1 -24,-0.1 -1,-0.2 -0.974 65.6 12.0 136.3-134.4 39.5 38.3 33.4 995 451 B Q S > S- 0 0 2 -2,-0.4 3,-1.7 -26,-0.3 4,-0.2 -0.240 82.3 -92.3 -79.0 172.7 42.9 36.6 33.2 996 452 B C G > S+ 0 0 3 1,-0.3 3,-2.0 -27,-0.2 4,-0.2 0.883 129.3 59.9 -55.6 -36.0 46.2 38.3 33.8 997 453 B N G > S+ 0 0 5 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.771 89.7 71.2 -61.6 -26.0 46.3 38.8 30.0 998 454 B D G X> + 0 0 2 -3,-1.7 4,-1.2 1,-0.3 3,-0.6 0.421 65.7 93.7 -76.9 4.3 43.1 40.8 30.3 999 455 B S H <> S+ 0 0 7 -3,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.784 76.2 70.2 -51.2 -30.0 45.2 43.5 32.0 1000 456 B Y H <> S+ 0 0 49 -3,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.924 93.4 51.2 -53.0 -49.7 45.0 44.4 28.3 1001 457 B S H <> S+ 0 0 0 -3,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.872 106.7 54.2 -55.6 -39.5 41.3 45.3 28.7 1002 458 B L H X S+ 0 0 13 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.906 110.0 46.6 -64.6 -40.5 42.2 47.4 31.7 1003 459 B A H X S+ 0 0 11 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.899 112.2 50.3 -63.6 -43.7 44.7 49.4 29.6 1004 460 B V H X S+ 0 0 33 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.909 111.3 49.0 -61.6 -43.0 42.1 49.7 26.8 1005 461 B I H X S+ 0 0 12 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.927 111.9 48.4 -63.5 -45.4 39.6 51.0 29.3 1006 462 B A H X S+ 0 0 6 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.926 112.6 48.1 -61.3 -44.1 42.1 53.5 30.7 1007 463 B L H X S+ 0 0 72 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.861 111.7 50.8 -67.2 -32.2 43.1 54.7 27.3 1008 464 B K H X S+ 0 0 71 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.912 109.7 49.2 -68.7 -43.1 39.4 55.1 26.4 1009 465 B L H X S+ 0 0 15 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.882 106.5 57.4 -64.4 -37.1 38.7 57.1 29.6 1010 466 B K H <>S+ 0 0 65 -4,-2.3 5,-2.6 1,-0.2 4,-0.3 0.920 111.4 43.0 -55.9 -44.3 41.7 59.3 28.6 1011 467 B E H ><5S+ 0 0 133 -4,-1.6 3,-1.1 3,-0.2 -2,-0.2 0.914 111.9 53.1 -67.8 -46.3 39.9 60.0 25.3 1012 468 B V H 3<5S+ 0 0 55 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.884 114.7 41.1 -57.6 -42.7 36.5 60.5 26.9 1013 469 B F T 3<5S- 0 0 74 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.382 110.2-122.2 -92.3 3.5 37.8 63.1 29.4 1014 470 B G T < 5 + 0 0 66 -3,-1.1 2,-0.2 -4,-0.3 -3,-0.2 0.855 53.1 161.8 62.5 40.6 40.0 64.8 26.8 1015 471 B L < - 0 0 55 -5,-2.6 -1,-0.2 -6,-0.2 3,-0.1 -0.639 40.3-149.4 -94.7 149.8 43.2 64.3 28.7 1016 472 B E S S+ 0 0 176 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.614 85.8 42.8 -89.6 -14.9 46.7 64.5 27.2 1017 473 B D > - 0 0 68 1,-0.1 3,-1.9 -7,-0.1 4,-0.2 -0.999 69.8-142.6-137.3 127.7 48.3 62.0 29.6 1018 474 B V G > S+ 0 0 10 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.806 102.2 66.9 -57.9 -29.2 46.8 58.6 30.8 1019 475 B N G 3 S+ 0 0 37 1,-0.3 -1,-0.3 26,-0.2 4,-0.2 0.610 84.3 71.9 -68.6 -13.2 48.3 59.4 34.2 1020 476 B D G < S+ 0 0 98 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.562 78.6 99.7 -80.6 -8.2 45.9 62.3 34.6 1021 477 B L S < S- 0 0 11 -3,-1.5 2,-2.2 -4,-0.2 -11,-0.0 -0.412 92.2-105.0 -71.6 154.4 43.0 59.9 35.1 1022 478 B P S S+ 0 0 42 0, 0.0 -85,-2.5 0, 0.0 2,-0.4 -0.469 78.4 125.8 -80.1 68.3 41.8 59.1 38.6 1023 479 B I E -y 937 0L 22 -2,-2.2 2,-0.4 -87,-0.2 -85,-0.2 -0.991 42.2-164.8-130.3 135.1 43.4 55.7 38.6 1024 480 B V E -y 938 0L 12 -87,-2.3 -85,-2.8 -2,-0.4 2,-0.6 -0.941 13.7-144.5-116.2 142.5 45.9 54.2 41.1 1025 481 B Y E +y 939 0L 14 -2,-0.4 25,-2.5 23,-0.4 2,-0.4 -0.942 27.4 163.1-114.0 110.3 47.9 51.1 40.2 1026 482 B N E + b 01050M 0 -87,-3.0 2,-0.3 -2,-0.6 25,-0.2 -0.756 22.8 177.4-127.3 79.3 48.5 48.7 43.2 1027 483 B I E - b 01051M 12 23,-2.1 25,-2.0 -2,-0.4 2,-0.4 -0.665 21.7-148.8 -99.8 138.7 49.5 45.6 41.3 1028 484 B A E -ab 9421052M 4 -87,-1.5 -85,-1.7 -2,-0.3 2,-0.3 -0.809 18.2-167.9-101.3 142.8 50.6 42.2 42.8 1029 485 B W + 0 0 7 23,-2.2 25,-0.2 -2,-0.4 3,-0.1 -0.924 26.1 153.0-130.6 158.0 53.0 40.0 40.9 1030 486 B Y + 0 0 0 1,-0.5 -476,-2.3 -2,-0.3 -475,-0.2 0.398 64.5 21.8-138.6 -59.6 54.3 36.5 41.2 1031 487 B E S >> S- 0 0 9 -478,-0.2 4,-0.9 -477,-0.1 3,-0.7 -0.385 88.7 -80.6-118.5-172.0 55.5 35.1 37.9 1032 488 B Q H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 -336,-0.4 0.676 117.9 63.7 -77.3 -21.0 56.8 36.2 34.5 1033 489 B K H 3> S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.903 103.3 52.5 -62.9 -37.8 53.5 37.0 32.8 1034 490 B A H <> S+ 0 0 12 -3,-0.7 4,-2.4 1,-0.2 -2,-0.2 0.866 104.9 56.5 -64.4 -33.9 53.1 39.7 35.5 1035 491 B V H X S+ 0 0 5 -4,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.932 107.8 45.6 -62.9 -45.8 56.6 40.9 34.4 1036 492 B I H X S+ 0 0 0 -4,-1.9 4,-2.7 -344,-0.3 -2,-0.2 0.891 111.0 53.8 -67.4 -33.2 55.4 41.4 30.8 1037 493 B V H X S+ 0 0 11 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.941 110.2 48.0 -63.1 -44.1 52.2 43.1 32.0 1038 494 B L H X S+ 0 0 19 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.941 113.0 46.6 -60.3 -49.1 54.4 45.5 34.1 1039 495 B L H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.887 110.8 54.0 -63.1 -37.1 56.7 46.2 31.1 1040 496 B A H X S+ 0 0 1 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.927 109.0 47.6 -59.6 -47.9 53.7 46.7 28.9 1041 497 B L H <>S+ 0 0 15 -4,-2.5 5,-2.3 1,-0.2 -2,-0.2 0.901 111.8 50.5 -62.3 -39.6 52.2 49.3 31.3 1042 498 B L H ><5S+ 0 0 5 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.893 107.9 52.8 -65.1 -38.1 55.6 51.1 31.5 1043 499 B S H 3<5S+ 0 0 40 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.781 104.8 56.1 -67.8 -26.7 55.8 51.1 27.7 1044 500 B L T 3<5S- 0 0 58 -4,-1.4 -1,-0.3 -3,-0.2 -26,-0.2 0.444 123.9-106.6 -82.8 -2.2 52.3 52.7 27.6 1045 501 B G T < 5 + 0 0 22 -3,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.566 61.0 161.4 91.7 12.7 53.6 55.5 29.9 1046 502 B V < - 0 0 6 -5,-2.3 3,-0.3 -28,-0.1 -1,-0.3 -0.530 18.0-169.6 -74.0 123.1 52.0 54.5 33.1 1047 503 B K + 0 0 64 -2,-0.4 25,-0.2 1,-0.2 -22,-0.1 -0.587 54.8 34.0-107.3 166.6 53.7 56.1 36.1 1048 504 B N S S+ 0 0 72 23,-1.9 -23,-0.4 1,-0.2 2,-0.2 0.706 70.1 172.0 63.3 27.1 53.5 55.7 39.8 1049 505 B I - 0 0 0 22,-0.5 25,-2.2 -3,-0.3 2,-0.6 -0.469 24.4-147.5 -67.8 132.3 52.9 52.0 39.7 1050 506 B H E -bc10261074M 27 -25,-2.5 -23,-2.1 23,-0.2 2,-0.4 -0.932 18.6-168.4-103.2 121.8 53.0 50.4 43.2 1051 507 B L E -b 1027 0M 4 23,-2.9 25,-0.4 -2,-0.6 -23,-0.2 -0.940 23.1 -44.4-119.6 131.9 54.3 46.8 42.8 1052 508 B G E -b 1028 0M 0 -25,-2.0 -23,-2.2 -2,-0.4 -498,-0.1 -0.903 54.5 -73.2-156.1-176.6 54.1 44.2 45.6 1053 509 B P S S- 0 0 15 0, 0.0 2,-0.3 0, 0.0 23,-0.2 -0.991 123.4 -10.5 -78.6 -8.3 54.2 42.5 47.9 1054 510 B T S S- 0 0 43 -25,-0.2 -25,-0.2 21,-0.1 3,-0.1 -0.899 74.8-106.5-134.0 167.2 57.9 42.8 47.2 1055 511 B L - 0 0 64 -2,-0.3 20,-0.1 1,-0.1 -3,-0.0 -0.722 53.6 -82.3 -92.1 147.1 60.0 44.2 44.4 1056 512 B P > - 0 0 11 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.163 25.6-139.5 -54.0 138.5 61.8 41.8 42.1 1057 513 B A T 3 S+ 0 0 24 -506,-0.3 -505,-0.1 -504,-0.3 -503,-0.0 0.719 97.6 69.9 -64.5 -24.9 65.1 40.4 43.2 1058 514 B F T 3 S+ 0 0 4 -507,-0.4 2,-0.7 -370,-0.1 -369,-0.3 0.382 73.2 96.7 -83.1 2.8 66.4 40.7 39.7 1059 515 B L < - 0 0 27 -3,-1.2 -377,-0.1 -371,-0.1 -4,-0.0 -0.852 68.5-146.6 -90.4 114.2 66.5 44.5 39.7 1060 516 B S > - 0 0 14 -2,-0.7 4,-3.1 -379,-0.2 5,-0.3 -0.321 30.5-100.0 -69.1 162.8 70.1 45.7 40.6 1061 517 B P H > S+ 0 0 105 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.911 124.5 44.1 -50.9 -45.8 70.5 48.9 42.6 1062 518 B N H > S+ 0 0 93 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.856 114.9 48.3 -70.8 -35.5 71.3 50.9 39.5 1063 519 B V H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 111.0 49.7 -72.1 -43.0 68.5 49.4 37.4 1064 520 B A H X S+ 0 0 33 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.913 109.4 54.4 -57.8 -41.1 65.9 49.9 40.1 1065 521 B K H X S+ 0 0 120 -4,-1.9 4,-2.6 -5,-0.3 -2,-0.2 0.909 107.0 50.0 -60.7 -43.7 67.2 53.5 40.3 1066 522 B V H X S+ 0 0 34 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.915 110.4 49.8 -60.0 -44.6 66.6 53.9 36.6 1067 523 B L H X S+ 0 0 15 -4,-2.2 4,-2.1 1,-0.2 6,-0.8 0.861 112.3 47.6 -67.0 -34.6 63.0 52.5 36.8 1068 524 B V H X S+ 0 0 68 -4,-2.2 4,-1.9 4,-0.2 -1,-0.2 0.928 113.4 48.4 -68.2 -45.3 62.3 54.9 39.7 1069 525 B E H < S+ 0 0 128 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.897 122.2 33.0 -61.3 -42.1 63.7 57.9 37.9 1070 526 B Q H < S+ 0 0 92 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.796 139.5 12.5 -87.8 -30.1 61.8 57.2 34.6 1071 527 B F H < S- 0 0 12 -4,-2.1 -23,-1.9 -5,-0.3 -22,-0.5 0.463 85.4-128.6-129.9 -6.3 58.6 55.7 35.9 1072 528 B N < + 0 0 90 -4,-1.9 -4,-0.2 -5,-0.4 2,-0.1 0.850 41.5 175.3 48.4 41.7 58.4 56.3 39.7 1073 529 B I + 0 0 10 -6,-0.8 2,-0.3 -25,-0.2 -23,-0.2 -0.465 4.6 171.2 -65.3 149.0 57.7 52.6 40.4 1074 530 B G B -c 1050 0M 25 -25,-2.2 -23,-2.9 -2,-0.1 2,-0.1 -0.920 25.9-113.8-150.4 174.7 57.6 51.8 44.1 1075 531 B G - 0 0 30 -2,-0.3 2,-0.2 -25,-0.2 -23,-0.2 -0.326 32.9 -96.4-101.1-174.0 56.7 49.1 46.6 1076 532 B I + 0 0 32 -25,-0.4 -1,-0.1 -23,-0.2 -21,-0.1 -0.650 29.7 176.3-102.0 161.8 54.0 48.7 49.2 1077 533 B T - 0 0 94 1,-0.4 -1,-0.1 -2,-0.2 -125,-0.1 0.131 59.1 -22.9-124.8-114.6 54.1 49.3 53.0 1078 534 B S > - 0 0 36 1,-0.1 4,-2.5 -2,-0.1 -1,-0.4 -0.709 58.5-116.9-100.0 156.7 51.1 48.8 55.2 1079 535 B P H > S+ 0 0 27 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.929 115.4 48.4 -56.2 -43.5 47.4 49.0 54.0 1080 536 B Q H > S+ 0 0 132 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.929 113.3 45.5 -67.1 -42.0 46.7 52.1 56.2 1081 537 B D H > S+ 0 0 101 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.900 116.3 45.3 -68.7 -39.6 49.8 54.0 55.1 1082 538 B D H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.830 104.1 61.4 -74.5 -31.9 49.3 53.2 51.4 1083 539 B L H < S+ 0 0 21 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.831 116.6 35.3 -62.1 -29.2 45.6 54.0 51.5 1084 540 B K H >< S+ 0 0 177 -4,-1.2 3,-0.6 -3,-0.2 -2,-0.2 0.917 122.4 42.8 -81.1 -52.1 46.8 57.5 52.5 1085 541 B A H 3< S+ 0 0 76 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.841 111.0 51.3 -70.3 -38.7 50.0 57.8 50.4 1086 542 B F T 3< 0 0 27 -4,-2.4 -1,-0.2 1,-0.3 -3,-0.1 0.669 360.0 360.0 -74.4 -17.4 48.8 56.3 47.1 1087 543 B F < 0 0 82 -3,-0.6 -1,-0.3 -5,-0.3 -2,-0.2 -0.116 360.0 360.0-108.8 360.0 45.8 58.7 47.1