==== 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 TRANSCRIPTION 03-FEB-09 3G3Z . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, MARR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS SEROGROUP B; . AUTHOR C.E.NICHOLS,S.SAINSBURY,J.REN,T.S.WALTER,A.VERMA,D.K.STAMMER . 284 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14455.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 79.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 4.2 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 1 1 0 0 0 0 4 0 0 0 0 0 0 0 1 2 0 1 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X 0 0 137 0, 0.0 2,-0.2 0, 0.0 183,-0.0 0.000 360.0 360.0 360.0 -85.4 -8.8 27.4 18.5 2 2 A N > - 0 0 19 1,-0.1 4,-2.6 2,-0.0 5,-0.2 -0.546 360.0-132.2 -77.8 142.4 -8.5 25.7 15.1 3 3 A Q H > S+ 0 0 35 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.904 107.2 48.4 -59.2 -47.1 -9.0 22.0 14.9 4 4 A L H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.864 112.2 49.3 -62.8 -40.1 -5.9 21.4 12.8 5 5 A D H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.923 111.8 48.9 -65.5 -44.1 -3.8 23.5 15.2 6 6 A Q H X S+ 0 0 46 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.855 115.8 43.7 -65.2 -37.2 -5.2 21.6 18.1 7 7 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.935 112.0 52.2 -71.0 -49.8 -4.5 18.2 16.5 8 8 A G H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.877 110.5 46.7 -58.2 -43.7 -1.0 19.2 15.2 9 9 A T H X S+ 0 0 16 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.877 115.3 47.4 -66.1 -36.6 0.3 20.3 18.5 10 10 A R H X S+ 0 0 46 -4,-1.0 4,-1.8 -5,-0.2 -2,-0.2 0.815 110.6 47.4 -80.9 -34.4 -1.1 17.3 20.4 11 11 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.872 112.5 51.6 -71.7 -37.1 0.1 14.5 18.0 12 12 A N H X S+ 0 0 20 -4,-1.6 4,-2.1 -5,-0.3 -2,-0.2 0.801 108.0 53.2 -68.4 -28.1 3.6 16.1 18.0 13 13 A L H X S+ 0 0 53 -4,-1.1 4,-2.7 2,-0.2 5,-0.2 0.941 110.4 45.3 -70.0 -48.8 3.5 16.2 21.8 14 14 A I H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.964 114.0 50.3 -57.3 -50.7 2.8 12.4 22.0 15 15 A C H X S+ 0 0 16 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.906 112.6 47.5 -52.3 -46.6 5.4 11.8 19.4 16 16 A N H X S+ 0 0 61 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.911 112.6 47.8 -58.2 -47.0 7.9 13.9 21.4 17 17 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.851 110.0 52.5 -70.1 -36.8 7.1 12.1 24.7 18 18 A F H X S+ 0 0 2 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.905 110.7 48.2 -59.9 -45.4 7.4 8.7 23.1 19 19 A D H X S+ 0 0 63 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.841 109.2 53.8 -63.4 -35.2 10.8 9.8 21.8 20 20 A K H X S+ 0 0 77 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.926 108.0 49.1 -65.9 -45.3 11.7 11.0 25.3 21 21 A W H >< S+ 0 0 3 -4,-2.3 3,-0.6 1,-0.2 4,-0.4 0.936 110.4 50.8 -57.6 -48.1 10.8 7.6 26.8 22 22 A I H ><>S+ 0 0 1 -4,-2.2 3,-1.6 1,-0.2 5,-1.4 0.899 107.7 54.1 -54.4 -42.3 12.9 5.9 24.2 23 23 A G H ><5S+ 0 0 27 -4,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.788 98.3 63.0 -65.2 -29.5 15.8 8.2 25.1 24 24 A Q T <<5S+ 0 0 88 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.535 95.6 59.4 -73.1 -9.4 15.4 7.2 28.8 25 25 A Q T < 5S- 0 0 50 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.303 123.8-110.7 -92.0 4.7 16.4 3.7 27.6 26 26 A D T < 5S+ 0 0 153 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.723 87.7 99.9 69.2 27.4 19.6 5.3 26.4 27 27 A L < - 0 0 30 -5,-1.4 2,-0.3 4,-0.0 -1,-0.3 -0.480 64.3-126.2-122.4-170.5 18.5 4.7 22.8 28 28 A N > - 0 0 78 -2,-0.2 4,-2.7 -3,-0.1 5,-0.2 -0.899 32.5 -97.8-137.6 172.5 16.9 6.6 20.0 29 29 A Y H > S+ 0 0 22 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.902 119.5 51.4 -57.6 -47.7 13.9 6.2 17.7 30 30 A N H > S+ 0 0 53 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.897 114.4 42.5 -59.1 -45.1 15.9 4.7 14.8 31 31 A L H > S+ 0 0 39 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.888 114.1 52.3 -67.0 -43.1 17.6 2.1 17.0 32 32 A F H X>S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 5,-0.6 0.915 102.7 59.2 -57.1 -46.2 14.4 1.3 18.8 33 33 A A H X5S+ 0 0 0 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.2 0.909 115.4 34.2 -51.8 -48.8 12.6 0.8 15.5 34 34 A V H X5S+ 0 0 1 -4,-1.3 4,-2.4 2,-0.2 5,-0.2 0.980 123.1 42.8 -69.6 -59.3 15.0 -2.0 14.5 35 35 A L H X5S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -3,-0.2 0.889 117.9 43.3 -59.4 -46.9 15.7 -3.6 18.0 36 36 A Y H X5S+ 0 0 6 -4,-2.9 4,-1.6 -5,-0.3 5,-0.2 0.888 113.5 50.7 -71.6 -39.1 12.1 -3.5 19.3 37 37 A T H XXS+ 0 0 0 -4,-1.2 4,-2.3 -5,-0.6 5,-0.5 0.934 114.3 45.3 -59.4 -45.8 10.5 -4.8 16.0 38 38 A L H X5S+ 0 0 5 -4,-2.4 4,-0.9 1,-0.2 51,-0.3 0.849 113.1 49.6 -70.0 -34.0 13.0 -7.7 15.9 39 39 A A H <5S+ 0 0 38 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.800 122.5 31.1 -73.9 -29.6 12.6 -8.5 19.6 40 40 A T H <5S+ 0 0 40 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.629 131.5 29.3-106.8 -20.7 8.8 -8.6 19.5 41 41 A E H <5S- 0 0 43 -4,-2.3 2,-0.2 1,-0.3 -3,-0.2 0.564 95.3-140.4-112.9 -15.6 7.9 -9.7 16.0 42 42 A G << + 0 0 34 -4,-0.9 -1,-0.3 -5,-0.5 -2,-0.2 -0.595 64.9 16.1 83.0-149.8 11.0 -11.9 15.2 43 43 A S S S+ 0 0 58 -2,-0.2 2,-0.3 -4,-0.1 45,-0.2 -0.263 71.2 159.9 -63.2 134.7 12.5 -11.8 11.7 44 44 A R B -A 87 0A 90 43,-1.6 43,-2.2 41,-0.1 2,-0.1 -0.984 37.8-110.8-150.9 155.0 11.6 -8.8 9.5 45 45 A T > - 0 0 41 -2,-0.3 4,-1.8 41,-0.2 3,-0.2 -0.494 33.0-112.0 -82.7 159.2 13.0 -7.1 6.5 46 46 A Q H > S+ 0 0 12 37,-0.5 4,-2.8 39,-0.5 5,-0.2 0.859 120.0 58.3 -53.9 -37.5 14.5 -3.6 6.7 47 47 A K H > S+ 0 0 115 36,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.904 103.4 49.6 -60.8 -45.3 11.5 -2.6 4.5 48 48 A H H > S+ 0 0 61 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.917 113.7 46.0 -60.0 -46.2 8.9 -3.9 7.1 49 49 A I H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.924 112.5 51.0 -60.2 -47.7 10.7 -2.0 9.9 50 50 A G H X>S+ 0 0 8 -4,-2.8 5,-2.9 2,-0.2 4,-0.6 0.902 114.6 42.9 -58.5 -45.9 10.9 1.2 7.8 51 51 A E H ><5S+ 0 0 125 -4,-2.6 3,-0.6 3,-0.2 -2,-0.2 0.930 112.6 52.6 -67.5 -46.8 7.2 1.1 6.9 52 52 A K H 3<5S+ 0 0 41 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.893 120.3 32.3 -54.5 -45.7 6.1 0.2 10.4 53 53 A W H 3<5S- 0 0 1 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.371 110.0-116.4-102.4 6.9 8.0 3.1 12.1 54 54 A S T <<5 + 0 0 23 -3,-0.6 -3,-0.2 -4,-0.6 -4,-0.1 0.916 63.8 146.6 62.9 46.3 7.6 5.5 9.2 55 55 A L < - 0 0 29 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.902 50.5-110.3-113.7 144.4 11.4 5.7 8.5 56 56 A P > - 0 0 67 0, 0.0 4,-1.8 0, 0.0 3,-0.3 -0.373 30.5-113.9 -70.7 153.3 13.2 6.2 5.2 57 57 A K H > S+ 0 0 141 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.822 113.7 54.9 -56.4 -38.8 15.2 3.2 3.8 58 58 A Q H > S+ 0 0 143 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 106.8 50.8 -61.1 -48.0 18.6 5.0 4.2 59 59 A T H > S+ 0 0 47 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.905 112.4 47.2 -56.2 -45.8 18.0 5.6 7.9 60 60 A V H X S+ 0 0 5 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.931 110.8 49.5 -66.7 -48.1 17.1 2.0 8.5 61 61 A S H X S+ 0 0 46 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.879 109.6 53.9 -57.0 -40.7 20.1 0.5 6.6 62 62 A G H X S+ 0 0 38 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.942 110.2 44.7 -60.7 -50.0 22.5 2.8 8.5 63 63 A V H X S+ 0 0 19 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.912 112.0 53.5 -63.0 -41.7 21.2 1.7 11.9 64 64 A C H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.895 105.0 54.4 -60.8 -40.3 21.3 -2.0 10.7 65 65 A K H X S+ 0 0 145 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.919 110.5 46.8 -58.1 -44.9 25.0 -1.6 9.6 66 66 A T H X S+ 0 0 87 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.925 113.3 47.5 -64.1 -45.7 25.9 -0.3 13.1 67 67 A L H <>S+ 0 0 0 -4,-2.4 5,-2.8 2,-0.2 6,-0.6 0.861 112.0 49.1 -66.6 -37.9 24.0 -3.1 15.0 68 68 A A H ><5S+ 0 0 28 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.903 108.2 54.7 -65.9 -42.0 25.4 -5.9 12.8 69 69 A G H 3<5S+ 0 0 72 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.730 107.1 51.4 -62.9 -23.8 28.9 -4.5 13.4 70 70 A Q T 3<5S- 0 0 124 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.379 117.2-119.1 -91.2 4.0 28.2 -4.7 17.1 71 71 A G T < 5S+ 0 0 34 -3,-1.9 22,-0.4 2,-0.1 21,-0.3 0.644 83.0 117.9 68.3 18.7 27.1 -8.4 16.5 72 72 A L S - 0 0 92 -2,-0.3 3,-0.6 1,-0.1 -2,-0.0 -0.277 41.3-118.7 -60.7 155.0 20.7 -8.0 -1.5 82 82 A R G > S+ 0 0 123 1,-0.2 3,-1.7 2,-0.2 -36,-0.3 0.809 110.4 67.3 -65.3 -29.4 20.8 -7.9 2.3 83 83 A R G 3 S+ 0 0 132 1,-0.3 -36,-0.6 -38,-0.1 -37,-0.5 0.801 106.6 38.9 -63.7 -32.9 18.3 -5.0 2.2 84 84 A K G < S+ 0 0 90 -3,-0.6 2,-0.3 -39,-0.1 -1,-0.3 0.170 105.0 97.1 -97.2 15.7 15.5 -7.2 0.9 85 85 A R S < S- 0 0 35 -3,-1.7 -39,-0.5 1,-0.1 -41,-0.1 -0.782 86.1 -88.5-111.9 150.2 16.7 -10.1 3.1 86 86 A L - 0 0 74 -2,-0.3 -10,-2.0 -41,-0.1 2,-0.4 -0.300 37.6-146.6 -63.3 131.2 15.3 -11.2 6.5 87 87 A L E -AB 44 75A 0 -43,-2.2 -43,-1.6 -12,-0.2 2,-0.3 -0.800 18.9-176.8-101.5 138.9 16.8 -9.5 9.6 88 88 A S E - B 0 74A 31 -14,-2.6 -14,-2.3 -2,-0.4 2,-0.4 -0.960 29.1-115.2-135.1 145.9 17.3 -11.4 12.8 89 89 A L E - B 0 73A 10 -2,-0.3 -16,-0.3 -51,-0.3 -17,-0.1 -0.690 34.8-134.8 -72.6 133.8 18.5 -10.7 16.4 90 90 A T > - 0 0 15 -18,-1.7 4,-1.9 -2,-0.4 5,-0.1 -0.234 31.2 -96.0 -73.3 175.9 21.6 -12.6 17.2 91 91 A E H > S+ 0 0 143 2,-0.2 4,-1.8 1,-0.2 3,-0.2 0.944 131.2 47.1 -59.3 -46.9 21.9 -14.4 20.6 92 92 A T H > S+ 0 0 85 -21,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.848 110.1 55.8 -62.5 -33.4 23.8 -11.4 22.0 93 93 A G H > S+ 0 0 0 -22,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.844 104.3 52.0 -64.2 -37.2 21.1 -9.2 20.4 94 94 A K H X S+ 0 0 103 -4,-1.9 4,-1.8 -3,-0.2 -2,-0.2 0.929 111.8 44.5 -69.5 -47.2 18.3 -11.0 22.3 95 95 A A H < S+ 0 0 71 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.927 115.3 51.0 -57.4 -46.2 20.0 -10.7 25.7 96 96 A Y H < S+ 0 0 103 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.915 114.4 42.9 -55.5 -45.4 20.7 -7.0 24.7 97 97 A A H >X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 3,-0.6 0.726 92.4 84.8 -78.3 -22.6 17.0 -6.4 23.7 98 98 A A H 3X S+ 0 0 33 -4,-1.8 4,-2.1 1,-0.3 -1,-0.2 0.885 90.7 45.9 -48.6 -54.0 15.5 -8.2 26.7 99 99 A P H 3> S+ 0 0 81 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.800 111.8 54.7 -61.9 -29.7 15.6 -5.2 29.2 100 100 A L H <> S+ 0 0 13 -3,-0.6 4,-2.2 -4,-0.4 -2,-0.2 0.923 108.4 45.7 -69.7 -46.5 14.2 -3.0 26.5 101 101 A T H X S+ 0 0 38 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.890 113.6 52.2 -62.8 -36.6 11.1 -5.2 25.8 102 102 A E H X S+ 0 0 130 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.937 111.1 43.8 -66.3 -47.5 10.6 -5.4 29.6 103 103 A S H X S+ 0 0 24 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.858 114.0 52.7 -65.1 -35.2 10.7 -1.6 30.2 104 104 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.909 110.8 46.1 -63.0 -44.3 8.5 -1.1 27.1 105 105 A Q H X S+ 0 0 86 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.869 113.7 49.9 -67.8 -36.7 6.0 -3.6 28.5 106 106 A E H X S+ 0 0 93 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.938 112.7 45.6 -65.0 -49.0 6.2 -1.9 31.9 107 107 A F H X S+ 0 0 3 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.908 112.6 52.3 -56.3 -44.2 5.7 1.6 30.4 108 108 A S H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.897 110.3 47.0 -63.9 -42.7 2.8 0.2 28.3 109 109 A D H X S+ 0 0 90 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.845 113.7 48.2 -67.8 -34.6 1.0 -1.3 31.3 110 110 A K H X S+ 0 0 75 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.858 116.0 42.4 -74.4 -35.8 1.5 1.9 33.4 111 111 A V H >X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 3,-0.6 0.948 118.7 40.9 -76.7 -48.2 0.2 4.2 30.7 112 112 A F H 3X S+ 0 0 14 -4,-2.1 4,-2.6 1,-0.3 -1,-0.2 0.645 101.8 70.1 -83.9 -14.3 -2.8 2.2 29.4 113 113 A A H 3< S+ 0 0 80 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.876 110.6 35.7 -62.2 -38.8 -3.8 1.1 32.9 114 114 A T H << S+ 0 0 94 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.890 118.6 50.8 -78.5 -41.8 -4.8 4.8 33.4 115 115 A F H < S- 0 0 3 -4,-2.0 4,-0.2 -5,-0.1 -2,-0.2 0.898 100.1-137.8 -69.8 -40.7 -6.0 5.3 29.8 116 116 A G X - 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0 0 19 -5,-1.2 -1,-0.3 4,-0.0 2,-0.3 -0.851 67.5-124.3-140.7 174.1 7.4 25.1 4.4 171 28 B N > - 0 0 81 -2,-0.3 4,-2.5 -3,-0.1 5,-0.2 -0.738 38.8 -97.9-114.6 173.0 8.9 22.7 6.9 172 29 B Y H > S+ 0 0 23 -2,-0.3 4,-2.9 1,-0.2 5,-0.1 0.899 121.4 52.6 -58.0 -45.8 7.6 22.0 10.4 173 30 B N H > S+ 0 0 56 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.866 112.2 43.5 -58.7 -44.1 10.0 24.4 12.1 174 31 B L H > S+ 0 0 36 2,-0.2 4,-3.0 1,-0.2 3,-0.3 0.916 114.7 50.7 -68.3 -45.4 9.1 27.3 9.9 175 32 B F H X>S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.6 0.907 102.4 60.7 -56.1 -47.8 5.4 26.5 10.2 176 33 B A H X5S+ 0 0 0 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.867 115.2 34.0 -49.6 -41.7 5.7 26.4 14.0 177 34 B V H X5S+ 0 0 1 -4,-1.1 4,-2.0 -3,-0.3 5,-0.2 0.937 122.9 43.4 -81.0 -48.8 6.8 30.0 14.1 178 35 B L H X5S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 -3,-0.2 0.944 116.9 44.0 -67.4 -48.8 4.8 31.4 11.2 179 36 B Y H X5S+ 0 0 4 -4,-3.0 4,-2.1 -5,-0.2 5,-0.3 0.874 112.5 51.6 -66.5 -40.8 1.5 29.7 11.9 180 37 B T H XXS+ 0 0 0 -4,-0.8 4,-3.5 -5,-0.6 5,-0.6 0.944 113.1 44.3 -60.2 -49.9 1.6 30.4 15.7 181 38 B L H X5S+ 0 0 6 -4,-2.0 4,-0.9 1,-0.2 51,-0.2 0.860 114.2 51.1 -66.6 -34.0 2.2 34.1 15.2 182 39 B A H <5S+ 0 0 35 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.866 122.9 28.8 -68.7 -37.1 -0.4 34.3 12.4 183 40 B T H <5S+ 0 0 33 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.834 131.8 31.3 -96.8 -37.1 -3.1 32.6 14.5 184 41 B E H <5S- 0 0 38 -4,-3.5 2,-0.2 1,-0.3 -3,-0.2 0.668 97.4-139.1 -94.4 -17.5 -2.3 33.5 18.1 185 42 B G << + 0 0 34 -4,-0.9 -1,-0.3 -5,-0.6 -2,-0.1 -0.602 65.2 12.4 85.6-156.8 -0.7 36.9 17.5 186 43 B S S S+ 0 0 47 -2,-0.2 2,-0.3 -4,-0.1 45,-0.2 -0.290 74.2 160.6 -61.2 126.6 2.4 38.0 19.4 187 44 B R B -C 230 0B 82 43,-1.1 43,-2.1 -2,-0.1 2,-0.1 -0.961 36.8-107.3-144.4 156.9 4.2 35.2 21.3 188 45 B T > - 0 0 39 -2,-0.3 4,-2.3 41,-0.2 5,-0.2 -0.437 30.3-114.7 -80.2 157.7 7.6 34.4 22.8 189 46 B Q H > S+ 0 0 17 37,-0.7 4,-2.2 39,-0.4 5,-0.1 0.845 119.4 56.3 -56.7 -36.5 10.1 31.9 21.3 190 47 B K H > S+ 0 0 89 36,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.911 107.3 47.6 -61.5 -45.9 9.6 29.9 24.5 191 48 B H H > S+ 0 0 60 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.918 111.2 49.7 -63.2 -47.7 5.9 29.7 23.8 192 49 B I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.915 113.0 48.2 -56.3 -45.4 6.3 28.7 20.2 193 50 B G H <>S+ 0 0 6 -4,-2.2 5,-3.0 2,-0.2 4,-0.4 0.860 114.1 44.6 -67.0 -39.8 8.8 26.0 21.2 194 51 B E H <5S+ 0 0 137 -4,-2.3 3,-0.5 3,-0.2 -2,-0.2 0.890 112.4 52.6 -71.3 -41.4 6.5 24.6 23.9 195 52 B K H <5S+ 0 0 34 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.939 120.5 31.9 -57.0 -50.4 3.4 24.7 21.7 196 53 B W T <5S- 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.309 110.2-115.1 -97.6 11.8 5.1 22.8 18.9 197 54 B S T 5 + 0 0 23 -3,-0.5 -3,-0.2 -4,-0.4 -4,-0.1 0.918 66.3 143.7 56.3 48.4 7.4 20.6 21.0 198 55 B L < - 0 0 28 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.939 51.3-113.5-117.0 141.6 10.6 22.1 19.6 199 56 B P > - 0 0 73 0, 0.0 4,-1.8 0, 0.0 3,-0.5 -0.254 33.2-106.8 -67.9 160.2 13.9 22.8 21.5 200 57 B K H > S+ 0 0 111 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.851 117.8 55.7 -56.7 -36.8 15.0 26.4 22.1 201 58 B Q H > S+ 0 0 146 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.846 104.6 51.8 -69.2 -38.3 17.8 26.2 19.5 202 59 B T H > S+ 0 0 38 -3,-0.5 4,-2.4 2,-0.2 5,-0.2 0.962 113.8 44.2 -57.5 -54.4 15.4 25.0 16.8 203 60 B V H X S+ 0 0 1 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.886 112.8 52.0 -58.6 -43.9 13.1 28.1 17.4 204 61 B S H X S+ 0 0 56 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.913 110.0 49.7 -58.8 -45.2 16.1 30.4 17.7 205 62 B G H X S+ 0 0 34 -4,-2.4 4,-1.8 2,-0.2 3,-0.2 0.943 112.5 44.9 -60.2 -53.5 17.5 29.2 14.4 206 63 B V H X S+ 0 0 15 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.862 111.6 54.2 -60.1 -37.5 14.2 29.6 12.5 207 64 B C H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.849 104.7 54.6 -69.2 -31.8 13.7 33.0 14.1 208 65 B K H X S+ 0 0 147 -4,-1.8 4,-1.9 -3,-0.2 -2,-0.2 0.962 112.6 42.8 -58.6 -53.6 17.1 34.2 12.9 209 66 B T H X S+ 0 0 79 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.912 115.1 47.6 -61.5 -49.5 16.2 33.3 9.3 210 67 B L H <>S+ 0 0 3 -4,-2.6 5,-2.7 1,-0.2 6,-0.7 0.878 112.5 49.9 -63.7 -38.4 12.7 34.7 9.4 211 68 B A H ><5S+ 0 0 30 -4,-2.0 3,-0.8 4,-0.2 -1,-0.2 0.837 109.6 51.0 -67.6 -36.2 13.9 38.0 10.9 212 69 B G H 3<5S+ 0 0 71 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.804 106.3 54.7 -69.6 -31.4 16.6 38.3 8.3 213 70 B Q T 3<5S- 0 0 111 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.435 117.8-119.3 -77.4 -1.8 13.9 37.8 5.6 214 71 B G T < 5S+ 0 0 36 -3,-0.8 21,-0.3 -5,-0.1 22,-0.3 0.662 82.6 118.5 73.1 19.4 12.2 40.7 7.3 215 72 B L S > - 0 0 112 1,-0.1 3,-2.4 3,-0.1 4,-0.9 -0.348 46.8-109.7 -57.0 142.1 16.9 39.7 26.5 225 82 B R G >4 S+ 0 0 124 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.849 117.4 58.8 -40.7 -47.8 15.8 39.4 22.8 226 83 B R G 34 S+ 0 0 110 1,-0.3 -37,-0.7 -38,-0.1 -36,-0.4 0.669 106.6 47.4 -63.2 -20.8 14.7 35.8 23.3 227 84 B K G <4 S+ 0 0 101 -3,-2.4 -1,-0.3 -39,-0.1 -2,-0.2 0.595 94.2 95.7 -94.1 -13.1 12.3 36.7 26.0 228 85 B R S << S- 0 0 44 -3,-1.2 -39,-0.4 -4,-0.9 2,-0.2 -0.437 88.6 -88.2 -80.2 152.6 10.7 39.7 24.1 229 86 B L - 0 0 64 -9,-0.2 -10,-3.6 -41,-0.1 2,-0.3 -0.393 37.2-144.8 -66.5 129.7 7.5 39.3 22.1 230 87 B L E -CD 187 218B 0 -43,-2.1 -43,-1.1 -12,-0.2 2,-0.3 -0.660 20.9-178.5 -91.6 146.7 7.8 38.2 18.5 231 88 B S E - D 0 217B 34 -14,-2.3 -14,-2.1 -2,-0.3 2,-0.2 -0.998 31.1-109.3-147.0 144.3 5.5 39.5 15.9 232 89 B L E - D 0 216B 11 -2,-0.3 -16,-0.3 -16,-0.2 -17,-0.1 -0.548 36.4-134.9 -64.3 136.5 4.8 39.1 12.2 233 90 B T > - 0 0 19 -18,-3.1 4,-2.7 -2,-0.2 5,-0.2 -0.239 34.9 -90.3 -76.6 178.2 5.8 42.2 10.2 234 91 B E H > S+ 0 0 144 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.934 133.8 45.9 -57.5 -44.8 3.5 43.6 7.5 235 92 B T H > S+ 0 0 82 -21,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.835 111.2 55.0 -66.6 -30.9 5.3 41.3 4.9 236 93 B G H > S+ 0 0 0 -22,-0.3 4,-2.0 -21,-0.3 -2,-0.2 0.917 106.3 49.5 -66.6 -44.7 5.0 38.5 7.4 237 94 B K H X S+ 0 0 114 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.895 113.3 46.4 -60.1 -44.1 1.2 38.9 7.7 238 95 B A H < S+ 0 0 69 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.917 113.0 50.2 -64.0 -43.8 0.8 39.0 3.9 239 96 B Y H < S+ 0 0 113 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.812 114.5 44.0 -63.2 -32.9 3.1 35.9 3.6 240 97 B A H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.672 91.2 83.8 -89.6 -19.4 1.1 34.0 6.2 241 98 B A H X S+ 0 0 44 -4,-1.4 4,-2.0 1,-0.2 5,-0.2 0.915 93.6 45.3 -51.3 -50.7 -2.4 34.9 5.0 242 99 B P H > S+ 0 0 79 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.881 111.8 54.5 -60.3 -37.2 -2.4 32.1 2.4 243 100 B L H > S+ 0 0 12 -4,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.899 107.7 47.6 -64.4 -43.4 -1.1 29.7 5.0 244 101 B T H X S+ 0 0 45 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.895 114.5 47.9 -65.5 -40.0 -3.9 30.4 7.5 245 102 B E H X S+ 0 0 138 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.945 112.3 46.2 -65.2 -50.6 -6.5 30.1 4.7 246 103 B S H X S+ 0 0 28 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.795 111.5 55.1 -67.1 -24.4 -5.2 26.8 3.3 247 104 B A H X S+ 0 0 0 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.887 108.5 46.6 -70.4 -41.9 -4.9 25.6 7.0 248 105 B Q H X S+ 0 0 85 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.884 112.6 51.2 -66.0 -40.7 -8.6 26.3 7.6 249 106 B E H X S+ 0 0 116 -4,-2.4 4,-2.2 2,-0.2 3,-0.2 0.957 113.0 43.5 -58.7 -55.2 -9.5 24.6 4.3 250 107 B F H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.898 113.1 54.1 -58.4 -43.7 -7.5 21.5 5.2 251 108 B S H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.846 108.8 48.4 -58.5 -38.2 -8.9 21.6 8.7 252 109 B D H X S+ 0 0 97 -4,-2.0 4,-0.5 -3,-0.2 -2,-0.2 0.938 114.3 43.1 -73.3 -48.3 -12.5 21.7 7.4 253 110 B K H >< S+ 0 0 71 -4,-2.2 3,-0.8 1,-0.2 4,-0.3 0.926 115.5 52.2 -57.7 -44.1 -12.2 18.8 5.0 254 111 B V H 3< S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.855 113.9 38.2 -68.1 -40.3 -10.2 16.8 7.6 255 112 B F H >< S+ 0 0 7 -4,-1.9 3,-2.1 1,-0.2 -1,-0.2 0.339 80.2 115.6 -96.1 7.7 -12.7 17.1 10.5 256 113 B A T << S+ 0 0 75 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.1 0.843 78.9 45.4 -41.6 -48.2 -15.8 16.7 8.4 257 114 B T T 3 S+ 0 0 96 -3,-0.4 2,-0.3 -4,-0.3 -1,-0.3 0.588 104.1 78.8 -80.0 -8.4 -16.8 13.4 10.0 258 115 B F < - 0 0 17 -3,-2.1 2,-0.2 -4,-0.0 -3,-0.0 -0.744 69.8-143.0 -98.1 144.6 -16.1 14.6 13.5 259 116 B G > - 0 0 37 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.606 30.8-111.2 -89.5 165.8 -18.4 16.9 15.6 260 117 B D H > S+ 0 0 107 -2,-0.2 4,-2.8 2,-0.2 5,-0.2 0.817 120.1 58.4 -65.2 -32.7 -16.8 19.5 17.9 261 118 B K H > S+ 0 0 195 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.944 109.3 44.2 -56.7 -51.3 -18.0 17.4 20.9 262 119 B R H > S+ 0 0 108 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.883 114.9 47.6 -62.3 -42.9 -16.0 14.5 19.6 263 120 B T H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.940 108.3 53.2 -70.4 -45.0 -12.9 16.5 18.8 264 121 B T H X S+ 0 0 91 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.906 113.7 46.1 -48.9 -44.8 -12.8 18.3 22.1 265 122 B R H X S+ 0 0 97 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.886 111.0 50.7 -68.0 -43.9 -12.9 14.8 23.7 266 123 B L H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.903 112.1 48.3 -57.0 -44.5 -10.2 13.5 21.4 267 124 B F H X S+ 0 0 3 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.884 111.9 48.2 -66.6 -39.0 -8.0 16.5 22.3 268 125 B A H X S+ 0 0 40 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.845 110.8 53.1 -66.2 -34.4 -8.7 16.0 26.0 269 126 B D H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.926 108.9 47.7 -64.4 -47.9 -7.8 12.3 25.4 270 127 B L H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.924 113.1 49.3 -58.9 -46.0 -4.5 13.2 23.8 271 128 B D H X S+ 0 0 50 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.936 112.0 47.3 -56.2 -50.8 -3.8 15.6 26.7 272 129 B A H X S+ 0 0 21 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.933 112.2 51.4 -57.4 -45.1 -4.6 12.9 29.2 273 130 B L H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.937 110.0 48.1 -56.8 -51.2 -2.4 10.5 27.3 274 131 B A H X S+ 0 0 6 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.930 110.1 53.7 -54.9 -48.6 0.5 12.9 27.3 275 132 B E H X S+ 0 0 136 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.891 108.9 46.8 -52.5 -50.6 0.0 13.5 31.1 276 133 B V H X S+ 0 0 19 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.924 114.4 48.3 -59.3 -46.7 0.2 9.8 32.0 277 134 B X H X S+ 0 0 1 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.909 113.3 45.7 -63.0 -47.0 3.3 9.3 29.8 278 135 B E H X S+ 0 0 56 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.896 113.8 50.0 -63.2 -41.3 5.1 12.3 31.2 279 136 B K H X S+ 0 0 127 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.906 111.2 47.8 -64.6 -44.7 4.2 11.4 34.8 280 137 B T H X S+ 0 0 7 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.860 112.7 49.9 -64.3 -39.1 5.4 7.8 34.3 281 138 B I H X S+ 0 0 5 -4,-2.1 4,-1.2 -5,-0.2 -2,-0.2 0.913 108.4 52.5 -64.4 -44.8 8.6 9.1 32.8 282 139 B S H >< S+ 0 0 80 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.912 106.4 54.2 -56.3 -45.4 9.2 11.5 35.7 283 140 B E H 3< S+ 0 0 107 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.919 106.5 51.3 -54.1 -48.1 8.8 8.6 38.1 284 141 B N H 3< 0 0 88 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.705 360.0 360.0 -66.4 -23.6 11.6 6.7 36.3 285 142 B K << 0 0 174 -4,-1.2 -261,-0.0 -3,-0.6 -4,-0.0 -0.617 360.0 360.0 -72.0 360.0 14.0 9.7 36.5