==== 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 REGULATOR 26-JAN-10 3LJL . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR LUXT; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS; . AUTHOR K.TAN,M.GU,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL GENOMI . 298 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 78.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 2 0 3 4 1 0 0 1 1 0 0 2 2 0 2 1 1 0 0 0 0 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A S 0 0 117 0, 0.0 4,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -42.5 -26.1 69.4 49.2 2 6 A K + 0 0 186 2,-0.2 4,-0.1 1,-0.2 0, 0.0 0.374 360.0 59.7 -88.4 -2.5 -22.6 70.6 49.9 3 7 A E S >> S+ 0 0 143 2,-0.2 4,-2.8 3,-0.1 3,-0.7 0.768 97.7 56.8 -85.8 -37.1 -22.4 67.7 52.3 4 8 A D H 3> S+ 0 0 110 1,-0.3 4,-0.6 2,-0.2 -2,-0.2 0.630 102.2 55.7 -73.9 -13.5 -23.1 65.3 49.5 5 9 A T H 3> S+ 0 0 62 -4,-0.2 4,-1.0 2,-0.1 -1,-0.3 0.651 111.2 45.7 -86.0 -19.0 -20.0 66.7 47.7 6 10 A E H X> S+ 0 0 102 -3,-0.7 4,-2.2 2,-0.2 3,-0.6 0.947 104.7 57.5 -81.0 -61.1 -18.1 65.8 50.9 7 11 A I H 3X S+ 0 0 112 -4,-2.8 4,-1.4 1,-0.3 -3,-0.1 0.807 110.4 49.1 -34.2 -40.3 -19.5 62.3 51.4 8 12 A T H 3X S+ 0 0 47 -4,-0.6 4,-2.4 2,-0.2 -1,-0.3 0.895 103.8 53.6 -78.2 -44.8 -18.2 61.5 47.9 9 13 A I H X S+ 0 0 64 -4,-2.6 3,-3.1 -5,-0.3 4,-1.6 1.000 116.6 42.4 -60.1 -72.1 -7.0 51.1 49.9 19 23 A Q H 3X>S+ 0 0 4 -4,-2.9 4,-2.1 1,-0.3 5,-0.6 0.739 101.3 72.5 -54.3 -26.4 -6.0 50.9 46.2 20 24 A L H 3<5S+ 0 0 2 -4,-3.5 -1,-0.3 -5,-0.3 5,-0.2 0.669 114.5 23.2 -63.6 -13.3 -2.8 52.8 47.0 21 25 A L H <45S+ 0 0 34 -3,-3.1 -2,-0.2 -5,-0.3 -1,-0.2 0.560 118.8 56.3-129.6 -21.5 -1.5 49.7 48.8 22 26 A R H <5S+ 0 0 139 -4,-1.6 -3,-0.2 2,-0.1 -2,-0.2 0.836 133.7 9.8 -81.8 -29.7 -3.4 46.8 47.3 23 27 A L T X5S- 0 0 53 -4,-2.1 4,-0.6 -5,-0.3 -3,-0.2 0.451 103.7-121.2-124.2 -7.4 -2.2 47.9 43.8 24 28 A G H >< - 0 0 27 -5,-0.6 4,-1.0 2,-0.1 -1,-0.2 -0.146 37.5 -78.9 80.1 170.9 0.4 50.5 44.3 25 29 A Y H 4 S+ 0 0 26 -5,-0.2 3,-0.3 1,-0.2 -1,-0.1 0.959 121.6 60.5 -69.5 -54.4 0.2 54.0 42.9 26 30 A D H 4 S+ 0 0 83 1,-0.3 -1,-0.2 -6,-0.1 -2,-0.1 0.762 109.2 38.4 -46.7 -47.0 1.2 53.2 39.4 27 31 A K H < S+ 0 0 149 -4,-0.6 -1,-0.3 -8,-0.1 5,-0.2 0.790 93.5 96.7 -87.0 -30.4 -1.5 50.8 38.5 28 32 A X < + 0 0 2 -4,-1.0 2,-0.3 -3,-0.3 3,-0.1 -0.352 56.4 166.8 -55.4 136.0 -4.3 52.7 40.3 29 33 A S > - 0 0 30 1,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.850 54.8 -91.4-148.0 169.0 -6.1 54.8 37.8 30 34 A Y H > S+ 0 0 39 -2,-0.3 4,-2.7 2,-0.2 5,-0.1 0.953 126.6 51.7 -55.7 -49.0 -9.2 56.9 37.3 31 35 A T H >> S+ 0 0 72 2,-0.2 3,-1.9 1,-0.2 4,-1.8 0.966 108.7 45.5 -44.5 -82.7 -10.8 53.7 36.0 32 36 A T H 3> S+ 0 0 34 1,-0.3 4,-2.8 -5,-0.2 -1,-0.2 0.782 117.9 45.6 -38.3 -47.6 -9.9 51.3 38.9 33 37 A L H 3X S+ 0 0 0 -4,-2.0 4,-0.9 2,-0.2 -1,-0.3 0.872 113.8 49.2 -59.3 -43.5 -11.0 54.0 41.4 34 38 A S H XX>S+ 0 0 23 -4,-2.7 3,-2.2 -3,-1.9 4,-2.0 0.996 111.8 48.8 -61.4 -61.2 -14.1 54.6 39.5 35 39 A Q H 3<5S+ 0 0 166 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.845 111.7 49.0 -36.1 -56.2 -14.9 50.9 39.3 36 40 A Q H 3<5S+ 0 0 83 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.699 121.2 36.2 -62.3 -17.8 -14.3 50.5 43.0 37 41 A T H <<5S- 0 0 37 -3,-2.2 -2,-0.2 -4,-0.9 -1,-0.2 0.731 92.1-121.4-115.6 -26.4 -16.6 53.5 43.8 38 42 A G T <5S+ 0 0 79 -4,-2.0 2,-0.4 1,-0.3 -3,-0.1 0.706 76.2 121.5 75.3 19.3 -19.6 53.9 41.6 39 43 A V < - 0 0 25 -5,-0.9 -1,-0.3 -6,-0.3 -2,-0.3 -0.973 67.5-113.8-113.0 136.8 -18.3 57.4 40.7 40 44 A S > - 0 0 67 -2,-0.4 4,-2.7 1,-0.1 5,-0.1 -0.141 22.6-116.9 -60.8 156.0 -17.6 58.3 37.0 41 45 A R H > S+ 0 0 127 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.677 122.7 48.9 -73.4 -15.2 -14.0 58.9 36.0 42 46 A T H > S+ 0 0 103 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.884 107.1 54.4 -83.7 -46.0 -15.2 62.4 35.2 43 47 A G H > S+ 0 0 23 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.881 115.1 41.0 -49.2 -44.2 -16.9 62.6 38.6 44 48 A I H >X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 3,-1.3 0.992 112.2 50.9 -68.6 -65.5 -13.5 61.7 40.2 45 49 A S H 3< S+ 0 0 46 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.733 100.9 69.9 -41.1 -30.6 -11.2 63.8 38.0 46 50 A H H 3< S+ 0 0 131 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.974 112.0 26.3 -49.0 -57.6 -13.6 66.6 38.9 47 51 A H H << S+ 0 0 53 -3,-1.3 -2,-0.2 -4,-0.9 -1,-0.2 0.847 134.5 37.4 -78.2 -38.7 -12.3 66.6 42.5 48 52 A F < + 0 0 11 -4,-2.4 -1,-0.3 1,-0.1 -2,-0.1 -0.871 64.9 172.5-118.8 89.8 -8.9 65.3 41.7 49 53 A P S S+ 0 0 84 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.810 72.8 37.1 -66.6 -31.6 -7.8 66.8 38.4 50 54 A K S > S- 0 0 107 -3,-0.1 3,-2.4 1,-0.1 4,-0.4 -0.953 80.0-127.8-129.7 146.7 -4.4 65.3 38.7 51 55 A K T >> S+ 0 0 51 -2,-0.4 3,-1.8 1,-0.3 4,-0.7 0.829 109.7 63.2 -62.6 -32.0 -3.3 62.0 40.1 52 56 A T H 3> S+ 0 0 20 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.656 90.2 70.4 -67.7 -11.7 -0.8 63.7 42.4 53 57 A D H <> S+ 0 0 59 -3,-2.4 4,-1.6 1,-0.2 -1,-0.3 0.724 89.9 62.1 -70.4 -24.7 -3.9 65.4 44.0 54 58 A F H <> S+ 0 0 1 -3,-1.8 4,-0.7 -4,-0.4 -1,-0.2 0.862 107.3 40.4 -72.2 -39.8 -4.8 62.0 45.4 55 59 A T H >X S+ 0 0 3 -4,-0.7 3,-0.8 2,-0.2 4,-0.6 0.922 112.6 54.5 -77.8 -41.1 -1.6 61.7 47.4 56 60 A A H >< S+ 0 0 54 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.876 102.5 62.8 -50.1 -36.8 -1.8 65.4 48.4 57 61 A A H 3< S+ 0 0 43 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.781 86.4 69.3 -61.3 -36.3 -5.3 64.7 49.7 58 62 A L H X< - 0 0 11 -3,-0.8 3,-2.3 -4,-0.7 -1,-0.2 0.773 68.7-175.7 -53.7 -41.5 -4.4 62.1 52.5 59 63 A D T << S- 0 0 139 -3,-0.7 -1,-0.1 -4,-0.6 -2,-0.1 0.497 77.8 -27.5 52.7 9.5 -2.7 64.8 54.6 60 64 A G T 3> S+ 0 0 13 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.154 102.3 115.9 145.2 -20.1 -1.6 62.2 57.1 61 65 A R H <> S+ 0 0 76 -3,-2.3 4,-0.7 1,-0.3 -2,-0.1 0.792 87.4 43.0 -49.2 -34.8 -4.1 59.3 56.9 62 66 A I H >> S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 3,-1.1 0.932 105.0 60.4 -75.8 -45.7 -1.3 57.0 55.7 63 67 A F H 3> S+ 0 0 46 1,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.780 103.4 54.7 -56.3 -21.8 1.4 58.2 58.1 64 68 A K H 3< S+ 0 0 135 -4,-1.5 -1,-0.3 2,-0.2 4,-0.3 0.794 108.0 46.4 -86.1 -30.0 -0.9 57.0 61.0 65 69 A X H X< S+ 0 0 57 -3,-1.1 3,-0.8 -4,-0.7 4,-0.3 0.822 111.0 57.3 -65.0 -41.7 -1.3 53.5 59.7 66 70 A F H >< S+ 0 0 7 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.885 103.8 48.6 -57.6 -46.3 2.4 53.5 59.1 67 71 A I G >< S+ 0 0 51 -4,-1.5 3,-0.9 1,-0.3 -1,-0.2 0.529 89.9 78.9 -81.5 -7.9 3.4 54.2 62.7 68 72 A E G < S+ 0 0 152 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.722 93.1 57.6 -68.3 -15.6 1.1 51.6 64.1 69 73 A H G < S+ 0 0 50 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.2 0.622 94.2 79.3 -86.4 -17.1 4.0 49.3 62.9 70 74 A L S < S- 0 0 15 -3,-0.9 2,-0.9 -4,-0.1 9,-0.1 -0.681 71.8-128.6-106.1 149.8 6.9 50.9 64.9 71 75 A E + 0 0 74 8,-0.4 3,-0.4 -2,-0.3 11,-0.2 -0.782 33.2 161.9 -98.3 101.8 8.1 50.7 68.6 72 76 A F + 0 0 42 -2,-0.9 3,-0.2 1,-0.2 -1,-0.1 0.519 67.0 58.4 -92.5 -3.0 8.5 54.1 70.0 73 77 A E S S+ 0 0 154 1,-0.1 -1,-0.2 5,-0.0 3,-0.1 0.142 92.8 60.3-120.5 13.4 8.5 53.2 73.7 74 78 A K S S- 0 0 148 1,-0.5 4,-0.4 -3,-0.4 -1,-0.1 0.149 107.5 -76.2-135.8 23.3 11.3 50.7 74.2 75 79 A G > - 0 0 42 -3,-0.2 4,-1.8 1,-0.1 -1,-0.5 -0.285 54.3 -75.6 98.8 167.8 14.6 52.5 73.2 76 80 A L H > S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.933 127.7 47.6 -75.5 -43.7 16.2 53.3 69.9 77 81 A D H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.924 110.1 54.7 -62.1 -45.5 17.4 49.8 68.9 78 82 A A H > S+ 0 0 23 -4,-0.4 4,-1.0 1,-0.2 -7,-0.2 0.922 108.5 48.1 -51.0 -46.7 14.0 48.4 69.8 79 83 A F H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -8,-0.4 0.879 111.7 50.9 -61.5 -39.6 12.4 50.9 67.5 80 84 A S H X S+ 0 0 5 -4,-2.0 4,-2.0 1,-0.3 -2,-0.2 0.877 108.8 49.2 -68.8 -40.4 14.8 50.0 64.7 81 85 A Q H X S+ 0 0 116 -4,-2.7 4,-1.7 1,-0.2 -1,-0.3 0.716 105.0 61.0 -72.6 -16.6 14.2 46.3 65.1 82 86 A S H X S+ 0 0 22 -4,-1.0 4,-2.1 -5,-0.3 -2,-0.2 0.958 104.2 48.5 -69.6 -43.8 10.6 47.2 64.9 83 87 A W H X S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.896 110.0 51.0 -61.5 -45.7 11.1 48.6 61.5 84 88 A I H < S+ 0 0 38 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.947 111.6 45.9 -58.4 -49.5 13.1 45.6 60.2 85 89 A K H >< S+ 0 0 156 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.874 109.3 59.5 -63.8 -31.7 10.5 43.1 61.3 86 90 A A H >< S+ 0 0 10 -4,-2.1 3,-3.0 1,-0.3 7,-0.4 0.829 85.8 72.7 -66.7 -38.3 7.8 45.4 59.8 87 91 A L T 3< S+ 0 0 6 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.608 90.9 63.3 -48.5 -11.9 9.3 45.2 56.3 88 92 A E T < S+ 0 0 146 -3,-1.4 2,-0.5 -4,-0.2 -1,-0.3 0.571 87.0 79.3 -96.9 -8.0 7.9 41.7 56.3 89 93 A D S <> S- 0 0 67 -3,-3.0 4,-1.9 -4,-0.1 5,-0.1 -0.864 77.9-147.3 -90.6 133.8 4.4 43.0 56.6 90 94 A S H > S+ 0 0 92 -2,-0.5 4,-3.4 2,-0.2 -1,-0.1 0.727 93.7 58.3 -83.1 -25.2 3.4 44.2 53.1 91 95 A E H > S+ 0 0 85 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.908 109.9 48.6 -61.3 -41.8 1.2 47.1 54.1 92 96 A F H > S+ 0 0 0 -6,-0.3 4,-1.6 2,-0.2 3,-0.3 0.973 114.5 42.7 -64.3 -51.0 4.3 48.4 55.7 93 97 A L H X S+ 0 0 22 -4,-1.9 4,-2.5 -7,-0.4 -2,-0.2 0.914 109.1 60.1 -60.5 -43.2 6.4 47.8 52.7 94 98 A A H X S+ 0 0 15 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.865 103.7 51.3 -51.6 -41.6 3.6 49.2 50.5 95 99 A I H X S+ 0 0 13 -4,-2.2 4,-2.3 -3,-0.3 -1,-0.2 0.905 110.7 46.9 -64.2 -43.6 3.8 52.5 52.3 96 100 A L H X S+ 0 0 3 -4,-1.6 4,-3.8 2,-0.2 5,-0.3 0.897 110.3 52.9 -64.8 -37.7 7.5 52.8 51.9 97 101 A R H X S+ 0 0 85 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.985 107.6 52.1 -58.1 -56.4 7.2 51.9 48.2 98 102 A L H X S+ 0 0 9 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.892 115.6 42.2 -46.2 -54.0 4.7 54.6 47.7 99 103 A L H >X S+ 0 0 14 -4,-2.3 4,-1.8 2,-0.2 3,-1.5 0.982 114.1 47.5 -56.3 -63.1 7.0 57.1 49.3 100 104 A F H 3X S+ 0 0 1 -4,-3.8 4,-1.2 1,-0.3 -1,-0.2 0.842 109.3 58.0 -52.9 -30.5 10.2 55.9 47.6 101 105 A H H 3X S+ 0 0 10 -4,-3.2 4,-1.6 -5,-0.3 -1,-0.3 0.867 104.1 50.1 -67.9 -37.9 8.3 56.0 44.4 102 106 A H H << S+ 0 0 0 -3,-1.5 -1,-0.2 -4,-1.4 -2,-0.2 0.834 107.7 54.8 -69.7 -28.4 7.5 59.6 44.9 103 107 A I H < S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.803 113.1 42.3 -67.6 -28.9 11.2 60.3 45.6 104 108 A V H < S+ 0 0 8 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.798 110.4 55.0 -95.1 -28.1 12.2 58.8 42.4 105 109 A T S < S- 0 0 27 -4,-1.6 -3,-0.1 -5,-0.1 5,-0.0 0.610 85.7 -8.0 -93.3-135.3 9.5 60.2 39.9 106 110 A S - 0 0 58 1,-0.1 4,-0.4 3,-0.0 -1,-0.1 -0.024 52.5-116.7 -67.3 161.8 7.9 63.4 38.5 107 111 A E S >> S+ 0 0 96 1,-0.2 3,-1.7 2,-0.2 4,-0.6 0.967 118.8 51.5 -54.2 -50.6 8.2 67.1 39.6 108 112 A S T 34 S+ 0 0 58 1,-0.3 3,-0.4 2,-0.2 4,-0.3 0.875 108.0 48.8 -52.2 -47.4 4.4 66.9 40.4 109 113 A A T 34 S+ 0 0 3 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.517 98.4 83.6 -73.1 -0.9 4.7 63.8 42.6 110 114 A H T X> S+ 0 0 38 -3,-1.7 4,-2.3 -4,-0.4 3,-1.3 0.880 72.2 57.0 -82.8 -48.7 7.7 65.5 44.4 111 115 A E H 3X S+ 0 0 133 -4,-0.6 4,-1.2 -3,-0.4 -1,-0.2 0.808 102.7 60.9 -57.5 -27.3 6.6 67.8 47.2 112 116 A F H 3> S+ 0 0 48 -4,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.813 112.1 38.2 -62.9 -32.7 4.6 64.9 48.9 113 117 A A H <> S+ 0 0 0 -3,-1.3 4,-2.1 -4,-0.4 5,-0.2 0.906 110.6 54.0 -92.9 -48.8 7.8 62.9 49.2 114 118 A A H X S+ 0 0 28 -4,-2.3 4,-1.1 185,-0.2 -2,-0.2 0.844 115.9 48.0 -43.3 -34.7 10.3 65.7 50.2 115 119 A N H X S+ 0 0 91 -4,-1.2 4,-1.7 -5,-0.3 -2,-0.2 0.814 105.1 54.0 -83.3 -41.5 7.7 66.3 52.8 116 120 A G H X S+ 0 0 16 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.837 108.5 50.7 -61.3 -36.4 7.2 62.8 54.1 117 121 A I H X S+ 0 0 4 -4,-2.1 4,-3.5 2,-0.2 5,-0.2 0.945 106.5 51.7 -67.5 -45.9 10.9 62.3 54.8 118 122 A D H X S+ 0 0 75 -4,-1.1 4,-3.6 1,-0.3 5,-0.2 0.922 110.6 53.5 -60.0 -35.8 11.2 65.5 56.7 119 123 A R H X S+ 0 0 95 -4,-1.7 4,-2.1 2,-0.2 -1,-0.3 0.906 108.4 46.8 -61.0 -46.2 8.3 64.0 58.6 120 124 A L H X S+ 0 0 11 -4,-2.2 4,-2.7 2,-0.2 3,-0.3 0.975 113.9 49.1 -57.8 -55.3 10.1 60.8 59.3 121 125 A Y H X S+ 0 0 30 -4,-3.5 4,-2.2 1,-0.3 5,-0.2 0.941 112.7 45.1 -50.9 -56.5 13.2 62.7 60.3 122 126 A K H X S+ 0 0 108 -4,-3.6 4,-1.4 -5,-0.2 -1,-0.3 0.817 112.6 55.8 -57.3 -30.2 11.2 65.0 62.7 123 127 A X H X S+ 0 0 19 -4,-2.1 4,-0.8 -3,-0.3 3,-0.3 0.980 111.5 40.3 -60.0 -59.1 9.4 61.8 63.9 124 128 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.806 113.9 52.8 -63.6 -36.7 12.6 60.0 64.9 125 129 A E H X S+ 0 0 58 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.833 107.3 50.8 -71.6 -36.3 14.4 63.0 66.4 126 130 A S H < S+ 0 0 93 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.642 117.1 42.4 -82.5 -15.7 11.6 64.0 68.7 127 131 A Q H < S+ 0 0 92 -4,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.864 138.4 4.1 -89.6 -40.9 11.5 60.4 69.9 128 132 A F H < S- 0 0 47 -4,-2.6 3,-0.4 1,-0.3 -3,-0.2 0.328 95.6-122.9-133.0 1.6 15.2 59.7 70.2 129 133 A G >< - 0 0 30 -4,-2.5 3,-1.5 -5,-0.2 4,-0.3 -0.269 60.2 -38.7 81.0-168.8 17.1 62.8 69.4 130 134 A S T >> S+ 0 0 93 1,-0.3 4,-0.7 2,-0.2 3,-0.7 0.710 127.0 74.2 -73.8 -18.3 19.8 63.2 66.8 131 135 A G H 3> S+ 0 0 57 -3,-0.4 4,-0.9 1,-0.2 -1,-0.3 0.884 94.4 60.3 -47.1 -36.6 21.2 59.7 67.5 132 136 A G H <> S+ 0 0 0 -3,-1.5 4,-2.3 1,-0.2 5,-0.2 0.735 86.1 72.3 -67.6 -31.0 17.9 58.9 65.6 133 137 A D H <> S+ 0 0 45 -3,-0.7 4,-1.9 -4,-0.3 -1,-0.2 0.974 102.1 41.2 -47.6 -65.6 18.9 60.7 62.3 134 138 A K H X S+ 0 0 117 -4,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.783 111.5 56.2 -57.0 -34.0 21.5 58.1 61.3 135 139 A E H X S+ 0 0 42 -4,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.968 108.9 46.9 -63.1 -53.8 19.3 55.2 62.4 136 140 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.870 111.0 52.8 -44.0 -49.7 16.4 56.3 60.1 137 141 A E H X S+ 0 0 20 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.921 111.6 45.8 -61.3 -44.3 18.9 56.9 57.2 138 142 A W H X S+ 0 0 31 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.887 108.9 57.3 -65.0 -39.2 20.2 53.4 57.6 139 143 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.914 106.6 46.4 -62.7 -43.3 16.6 52.1 57.9 140 144 A I H X S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.914 108.8 58.9 -59.7 -43.0 15.6 53.5 54.5 141 145 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.978 111.8 38.1 -47.8 -62.3 18.8 52.0 53.1 142 146 A R H X S+ 0 0 40 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.916 113.5 58.5 -56.1 -46.4 17.8 48.6 54.2 143 147 A S H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.902 107.5 43.7 -51.7 -56.4 14.2 49.2 53.3 144 148 A L H >< S+ 0 0 2 -4,-2.7 3,-0.6 2,-0.2 4,-0.5 0.928 112.3 52.9 -57.0 -46.2 14.9 50.0 49.7 145 149 A I H >X S+ 0 0 12 -4,-2.3 3,-1.5 -5,-0.3 4,-1.1 0.918 105.5 57.3 -56.1 -40.2 17.4 47.0 49.4 146 150 A Q H 3< S+ 0 0 29 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.834 94.0 66.9 -55.0 -37.7 14.6 44.9 50.7 147 151 A X T << S+ 0 0 6 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.624 100.2 48.5 -62.9 -14.9 12.3 46.0 47.9 148 152 A S T <4 0 0 33 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.747 360.0 360.0 -91.3 -31.8 14.5 44.1 45.4 149 153 A K < 0 0 180 -4,-1.1 -2,-0.2 -3,-0.2 -3,-0.1 0.923 360.0 360.0 -53.1 360.0 14.5 41.0 47.6 150 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 151 5 B S 0 0 136 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 22.2 21.2 35.3 8.8 152 6 B K > + 0 0 152 2,-0.1 4,-1.4 3,-0.1 5,-0.1 0.508 360.0 69.3-114.2 -13.1 21.8 36.1 12.6 153 7 B E H > S+ 0 0 146 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.755 96.0 57.6 -71.7 -27.6 24.7 38.6 12.3 154 8 B D H 4 S+ 0 0 112 2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.791 108.8 44.3 -72.9 -32.1 22.3 41.2 10.7 155 9 B T H >> S+ 0 0 37 2,-0.1 4,-2.2 1,-0.1 3,-1.2 0.875 110.8 50.1 -84.4 -43.3 19.9 41.1 13.8 156 10 B E H 3X S+ 0 0 138 -4,-1.4 4,-2.1 1,-0.3 5,-0.2 0.827 100.5 63.8 -69.2 -33.2 22.5 41.3 16.6 157 11 B I H 3< S+ 0 0 116 -4,-1.2 -1,-0.3 1,-0.2 4,-0.2 0.619 112.9 39.1 -60.4 -14.2 24.3 44.3 15.0 158 12 B T H <> S+ 0 0 37 -3,-1.2 4,-2.6 2,-0.2 3,-0.2 0.816 108.1 55.7-102.5 -49.2 20.9 46.0 15.7 159 13 B I H X S+ 0 0 51 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.926 110.2 52.2 -45.9 -49.4 19.8 44.7 19.1 160 14 B Q H X S+ 0 0 112 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.862 109.0 47.5 -49.4 -46.9 23.2 46.0 20.2 161 15 B K H > S+ 0 0 109 -3,-0.2 4,-0.9 -4,-0.2 -1,-0.2 0.800 110.1 53.5 -71.1 -32.5 22.5 49.5 18.7 162 16 B I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.909 113.0 43.4 -66.0 -44.1 19.1 49.4 20.4 163 17 B X H X S+ 0 0 19 -4,-2.5 4,-2.8 2,-0.3 -2,-0.2 0.827 107.0 58.3 -72.6 -34.7 20.7 48.7 23.8 164 18 B D H X S+ 0 0 73 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.802 115.0 40.1 -63.1 -29.3 23.5 51.2 23.3 165 19 B A H X S+ 0 0 5 -4,-0.9 4,-2.4 2,-0.2 5,-0.3 0.848 108.8 58.6 -79.2 -42.1 20.6 53.6 23.0 166 20 B V H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.963 107.1 50.3 -54.3 -51.8 18.6 52.1 25.8 167 21 B V H X S+ 0 0 11 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.788 111.0 49.4 -51.7 -38.0 21.6 52.8 28.1 168 22 B D H X S+ 0 0 64 -4,-0.6 4,-1.8 -5,-0.2 3,-0.4 0.973 114.6 40.7 -68.4 -50.6 21.7 56.4 27.0 169 23 B Q H X>S+ 0 0 3 -4,-2.4 4,-3.0 1,-0.3 5,-2.0 0.875 111.8 56.2 -68.2 -39.5 18.0 57.3 27.4 170 24 B L H <5S+ 0 0 5 -4,-2.9 5,-0.3 -5,-0.3 -1,-0.3 0.807 112.1 46.6 -58.9 -31.6 17.7 55.4 30.6 171 25 B L H <5S+ 0 0 35 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.824 125.5 23.3 -82.6 -35.0 20.5 57.6 31.8 172 26 B R H <5S+ 0 0 136 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.619 139.3 23.6-111.0 -13.3 19.4 61.0 30.7 173 27 B L T X5S- 0 0 42 -4,-3.0 4,-0.8 -5,-0.2 -3,-0.2 0.576 100.0-135.1-115.3 -29.4 15.7 60.6 30.4 174 28 B G H >< - 0 0 21 -5,-2.0 4,-2.8 -6,-0.2 3,-0.2 0.182 33.9 -76.7 80.7 153.1 15.1 57.7 32.8 175 29 B Y H 4 S+ 0 0 42 -5,-0.3 -1,-0.1 1,-0.2 -5,-0.1 0.897 128.7 60.3 -47.4 -46.7 13.0 54.7 32.0 176 30 B D H 4 S+ 0 0 88 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.2 0.916 114.9 30.1 -53.8 -54.2 9.9 56.7 32.7 177 31 B K H < S+ 0 0 138 -4,-0.8 2,-0.5 -3,-0.2 -1,-0.2 0.817 96.7 98.7 -78.7 -31.1 10.4 59.3 30.0 178 32 B X < - 0 0 1 -4,-2.8 2,-0.2 -9,-0.2 -8,-0.0 -0.445 58.8-176.1 -58.5 107.4 12.3 57.0 27.6 179 33 B S > - 0 0 42 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.709 43.8-107.6-107.1 155.3 9.6 55.9 25.0 180 34 B Y H > S+ 0 0 33 -2,-0.2 4,-2.0 1,-0.2 14,-0.1 0.735 123.7 54.2 -49.2 -25.3 9.6 53.4 22.0 181 35 B T H > S+ 0 0 57 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.915 103.8 49.6 -74.2 -50.7 9.5 56.7 19.9 182 36 B T H > S+ 0 0 36 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.851 113.8 49.5 -60.5 -33.8 12.5 58.3 21.5 183 37 B L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 6,-0.3 0.976 106.6 53.9 -61.3 -56.7 14.2 55.0 20.8 184 38 B S H < S+ 0 0 33 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.740 113.2 44.9 -52.2 -27.0 13.0 55.0 17.2 185 39 B Q H < S+ 0 0 143 -4,-1.8 -1,-0.2 3,-0.1 -2,-0.2 0.943 112.9 46.3 -79.7 -53.3 14.6 58.5 16.7 186 40 B Q H < S+ 0 0 76 -4,-2.2 2,-0.4 -5,-0.2 -2,-0.2 0.926 122.0 39.7 -57.9 -50.5 17.9 57.9 18.4 187 41 B T S < S- 0 0 2 -4,-2.5 2,-0.6 -5,-0.2 -25,-0.0 -0.838 92.1-127.9 -91.1 136.4 18.3 54.7 16.5 188 42 B G S S+ 0 0 73 -2,-0.4 2,-0.4 2,-0.0 -4,-0.1 0.119 70.5 125.9 -71.8 29.0 17.1 54.9 12.9 189 43 B V - 0 0 31 -2,-0.6 -2,-0.1 -6,-0.3 5,-0.1 -0.722 64.8-113.6 -97.1 136.4 15.0 51.8 13.6 190 44 B S > - 0 0 75 -2,-0.4 4,-1.1 1,-0.1 3,-0.4 -0.205 26.6-113.4 -63.8 156.8 11.3 51.7 13.0 191 45 B R H >> S+ 0 0 129 1,-0.3 4,-2.1 2,-0.2 3,-0.8 0.917 120.9 45.6 -54.7 -50.4 8.9 51.3 16.0 192 46 B T H 3> S+ 0 0 112 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.671 106.2 63.0 -67.0 -20.1 7.8 47.8 14.9 193 47 B G H 3> S+ 0 0 20 -3,-0.4 4,-0.6 2,-0.2 -1,-0.2 0.759 109.7 38.5 -76.0 -28.2 11.5 47.0 14.3 194 48 B I H S- 0 0 44 1,-0.1 3,-0.5 -5,-0.0 4,-0.2 -0.835 83.7-119.8-115.4 155.7 7.2 44.9 26.2 201 55 B K T >> S+ 0 0 56 -2,-0.3 3,-2.0 1,-0.3 4,-0.6 0.847 113.6 60.1 -64.4 -40.2 9.0 48.0 27.7 202 56 B T H 3> S+ 0 0 51 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.854 88.7 78.8 -49.0 -34.3 10.3 46.0 30.7 203 57 B D H <> S+ 0 0 62 -3,-0.5 4,-1.2 2,-0.2 -1,-0.3 0.690 89.1 55.1 -54.8 -19.2 12.0 43.9 28.0 204 58 B F H X> S+ 0 0 0 -3,-2.0 3,-1.4 2,-0.2 4,-1.1 0.975 106.6 43.6 -70.1 -81.9 14.6 46.7 27.8 205 59 B T H 3< S+ 0 0 2 -4,-0.6 57,-0.3 1,-0.3 -2,-0.2 0.723 110.6 65.5 -31.8 -32.3 15.8 46.9 31.4 206 60 B A H 3< S+ 0 0 40 -4,-2.0 56,-0.3 1,-0.2 -1,-0.3 0.956 101.9 41.4 -60.1 -55.9 15.7 43.0 31.1 207 61 B A H << S+ 0 0 56 -3,-1.4 -1,-0.2 -4,-1.2 -2,-0.2 0.586 88.5 118.2 -75.5 -9.1 18.4 42.6 28.6 208 62 B L < + 0 0 8 -4,-1.1 54,-0.4 -3,-0.2 2,-0.1 -0.367 42.5 172.0 -59.1 137.5 20.6 45.2 30.3 209 63 B D > - 0 0 112 52,-0.1 3,-0.5 53,-0.1 4,-0.4 0.029 43.4 -33.1-124.5-137.2 23.8 43.7 31.5 210 64 B G T 3> S+ 0 0 45 1,-0.2 4,-2.0 2,-0.1 3,-0.4 0.836 102.6 83.2 -58.5 -44.1 27.2 44.7 33.1 211 65 B R H 3> S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.729 89.1 52.4 -41.7 -43.9 28.0 48.1 31.6 212 66 B I H X> S+ 0 0 6 -3,-0.5 4,-1.0 1,-0.2 3,-0.5 0.967 113.5 38.5 -64.0 -59.7 25.9 50.2 34.0 213 67 B F H 3> S+ 0 0 35 -4,-0.4 4,-1.9 -3,-0.4 -1,-0.2 0.759 113.0 60.0 -67.7 -20.5 27.2 48.9 37.3 214 68 B K H 3< S+ 0 0 145 -4,-2.0 4,-0.5 1,-0.2 -1,-0.3 0.930 108.7 41.9 -69.9 -40.0 30.7 48.8 35.8 215 69 B X H << S+ 0 0 45 -4,-2.1 4,-0.3 -3,-0.5 -2,-0.2 0.590 112.2 58.9 -82.0 -8.7 30.6 52.5 35.1 216 70 B F H >< S+ 0 0 8 -4,-1.0 3,-2.4 -5,-0.2 -2,-0.2 0.973 102.8 46.9 -78.4 -65.5 29.0 53.1 38.5 217 71 B I G >< S+ 0 0 36 -4,-1.9 3,-1.3 1,-0.3 -2,-0.2 0.567 94.5 81.5 -53.1 -14.6 31.7 51.6 40.7 218 72 B E G 3 S+ 0 0 132 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.899 86.2 58.3 -51.3 -42.5 34.1 53.7 38.5 219 73 B H G < S+ 0 0 50 -3,-2.4 2,-0.3 -4,-0.3 -1,-0.2 0.213 99.0 86.0 -74.2 14.8 33.2 56.6 40.7 220 74 B L < - 0 0 17 -3,-1.3 2,-1.1 16,-0.0 9,-0.1 -0.938 70.0-126.0-145.6 136.7 34.3 54.9 44.0 221 75 B E + 0 0 62 8,-0.4 3,-0.4 -2,-0.3 11,-0.1 -0.568 35.5 152.6 -91.3 97.7 37.2 54.1 46.4 222 76 B F + 0 0 28 -2,-1.1 3,-0.4 1,-0.2 -1,-0.2 0.625 66.3 61.7 -93.2 -10.1 37.7 50.5 47.1 223 77 B E S S+ 0 0 170 1,-0.2 -1,-0.2 5,-0.1 3,-0.1 0.219 95.1 56.2-105.5 16.0 41.4 50.5 47.9 224 78 B K S > S- 0 0 144 -3,-0.4 4,-0.6 1,-0.4 -1,-0.2 -0.035 104.6 -91.2-143.0 35.8 41.6 52.8 51.0 225 79 B G H > - 0 0 38 -3,-0.4 4,-1.0 1,-0.2 -1,-0.4 0.033 55.2 -58.7 82.4 173.2 39.4 51.5 53.7 226 80 B L H > S+ 0 0 48 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.847 127.8 46.5 -65.3 -45.4 35.8 52.1 54.7 227 81 B D H > S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.946 108.5 54.8 -62.5 -49.3 35.9 55.9 55.3 228 82 B A H X S+ 0 0 19 -4,-0.6 4,-1.9 1,-0.2 -7,-0.3 0.825 109.7 51.7 -52.5 -29.9 37.7 56.7 52.2 229 83 B F H X S+ 0 0 0 -4,-1.0 4,-1.3 2,-0.2 -8,-0.4 0.852 111.4 41.1 -85.9 -42.9 35.0 54.8 50.4 230 84 B S H >X S+ 0 0 5 -4,-1.8 4,-1.9 2,-0.2 3,-1.9 0.982 111.6 56.2 -64.9 -61.4 32.0 56.6 51.8 231 85 B Q H 3X S+ 0 0 126 -4,-2.6 4,-3.0 1,-0.3 5,-0.3 0.868 110.0 49.3 -28.4 -55.3 33.8 59.9 51.5 232 86 B S H 3X S+ 0 0 21 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.3 0.779 111.3 48.0 -58.7 -36.4 34.1 58.8 47.9 233 87 B W H < S+ 0 0 68 -4,-1.9 3,-0.9 2,-0.2 4,-0.4 0.945 114.9 50.2 -56.7 -48.1 29.0 61.1 49.1 235 89 B K H >< S+ 0 0 142 -4,-3.0 3,-1.7 -5,-0.5 -2,-0.2 0.956 109.0 55.1 -47.6 -48.3 31.5 63.1 47.0 236 90 B A H >< S+ 0 0 4 -4,-1.6 3,-1.7 -6,-0.3 7,-0.3 0.691 88.5 76.8 -60.8 -25.5 30.0 61.0 44.2 237 91 B L T << S+ 0 0 2 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.631 88.9 57.4 -64.7 -14.0 26.5 62.1 45.0 238 92 B E T < S+ 0 0 144 -3,-1.7 2,-0.5 -4,-0.4 -1,-0.3 0.294 85.1 95.6 -97.2 8.6 27.2 65.5 43.3 239 93 B D <> - 0 0 60 -3,-1.7 4,-2.9 1,-0.1 5,-0.1 -0.894 69.5-147.0 -99.2 126.4 28.1 63.9 40.0 240 94 B S H > S+ 0 0 92 -2,-0.5 4,-3.9 1,-0.2 5,-0.2 0.910 96.1 51.0 -63.7 -47.5 25.1 63.7 37.6 241 95 B E H > S+ 0 0 79 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.888 113.7 47.8 -52.8 -42.1 26.0 60.5 35.9 242 96 B F H > S+ 0 0 0 2,-0.2 4,-2.1 -6,-0.2 -2,-0.2 0.980 113.3 46.0 -64.6 -54.3 26.4 58.9 39.3 243 97 B L H >X S+ 0 0 53 -4,-2.9 4,-2.6 -7,-0.3 3,-0.6 0.948 112.2 52.0 -49.0 -59.3 23.1 60.4 40.5 244 98 B A H 3X S+ 0 0 26 -4,-3.9 4,-3.0 1,-0.2 -1,-0.2 0.914 105.4 55.3 -41.6 -58.6 21.4 59.2 37.3 245 99 B I H 3X S+ 0 0 4 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.851 113.0 42.2 -50.6 -41.7 22.7 55.7 37.7 246 100 B L H XX S+ 0 0 3 -4,-2.1 4,-3.4 -3,-0.6 3,-0.9 0.998 109.7 54.6 -66.6 -61.7 21.2 55.5 41.1 247 101 B R H 3X S+ 0 0 90 -4,-2.6 4,-3.9 1,-0.3 5,-0.2 0.861 108.5 56.6 -34.8 -52.9 17.9 57.2 40.2 248 102 B L H 3X S+ 0 0 12 -4,-3.0 4,-2.0 1,-0.2 -1,-0.3 0.873 114.5 31.1 -42.3 -60.7 17.7 54.5 37.5 249 103 B L H > - 0 0 21 -8,-0.1 3,-1.8 3,-0.1 4,-1.2 0.039 11.7-106.3 -55.0 156.2 15.5 42.4 36.6 261 115 B E H 3>>S+ 0 0 142 1,-0.3 4,-2.2 2,-0.2 5,-0.5 0.856 108.4 73.3 -57.6 -43.7 18.9 40.9 36.9 262 116 B F H 3>5S+ 0 0 16 -54,-0.4 4,-0.8 -57,-0.3 -1,-0.3 0.721 109.2 37.0 -38.5 -29.2 21.0 44.0 36.0 263 117 B A H <>5S+ 0 0 3 -3,-1.8 4,-3.5 2,-0.2 -1,-0.2 0.802 110.9 55.8 -97.9 -41.0 20.1 45.3 39.5 264 118 B A H X5S+ 0 0 46 -4,-1.2 4,-3.0 -3,-0.3 5,-0.2 0.960 117.0 39.0 -56.7 -55.0 20.2 42.0 41.5 265 119 B N H X5S+ 0 0 81 -4,-2.2 4,-4.1 2,-0.2 5,-0.4 0.973 113.0 59.4 -57.1 -55.1 23.7 41.5 40.4 266 120 B G H X< S- 0 0 22 -4,-2.3 3,-1.1 -5,-0.4 4,-0.4 0.104 93.5-138.6-119.0 22.0 35.7 46.4 54.4 279 133 B G G >< - 0 0 44 -4,-0.8 3,-1.1 -3,-0.4 4,-0.3 -0.084 64.4 -24.4 51.5-147.4 35.0 43.4 56.6 280 134 B S G 3 S+ 0 0 131 1,-0.3 4,-0.3 2,-0.1 -1,-0.2 0.433 128.9 65.0 -82.5 -1.4 31.8 43.1 58.6 281 135 B G G <> S+ 0 0 35 -3,-1.1 4,-2.4 -7,-0.1 -1,-0.3 0.589 85.4 82.1 -91.1 -9.5 31.0 46.8 58.8 282 136 B G H <> S+ 0 0 0 -3,-1.1 4,-2.9 -4,-0.4 5,-0.3 0.937 78.8 56.1 -63.8 -60.1 30.5 47.0 55.1 283 137 B D H > S+ 0 0 58 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.877 115.6 40.6 -44.8 -50.1 27.0 45.8 54.5 284 138 B K H > S+ 0 0 93 -4,-0.3 4,-2.6 2,-0.2 5,-0.3 0.982 112.6 51.3 -63.7 -58.5 25.6 48.4 56.9 285 139 B E H X S+ 0 0 38 -4,-2.4 4,-3.2 1,-0.3 -2,-0.2 0.927 114.4 46.9 -44.8 -53.5 27.8 51.3 55.8 286 140 B L H X S+ 0 0 1 -4,-2.9 4,-2.4 2,-0.2 -1,-0.3 0.945 110.2 52.2 -47.5 -55.5 26.8 50.6 52.3 287 141 B E H X S+ 0 0 18 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.945 111.4 47.5 -51.2 -57.5 23.1 50.3 53.3 288 142 B W H X S+ 0 0 36 -4,-2.6 4,-3.4 2,-0.2 5,-0.3 0.901 105.7 57.3 -42.2 -54.5 23.3 53.6 55.0 289 143 B L H X S+ 0 0 0 -4,-3.2 4,-2.0 -5,-0.3 -2,-0.2 0.977 108.0 49.5 -44.7 -55.4 25.0 55.2 52.0 290 144 B I H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.889 110.4 49.9 -48.6 -50.4 22.0 54.1 50.0 291 145 B G H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.962 109.7 50.3 -52.3 -50.8 19.7 55.6 52.6 292 146 B R H X S+ 0 0 65 -4,-3.4 4,-1.6 1,-0.2 -2,-0.2 0.813 112.8 48.1 -63.4 -28.1 21.6 58.9 52.5 293 147 B S H X S+ 0 0 1 -4,-2.0 4,-1.7 -5,-0.3 5,-0.2 0.961 109.4 49.5 -76.3 -52.5 21.3 58.9 48.7 294 148 B L H < S+ 0 0 1 -4,-2.6 4,-0.4 1,-0.3 -2,-0.2 0.772 111.9 51.4 -59.3 -29.8 17.7 58.2 48.5 295 149 B I H >< S+ 0 0 0 -4,-2.1 3,-1.9 -5,-0.2 -1,-0.3 0.918 104.2 56.1 -70.0 -44.5 17.1 60.9 51.0 296 150 B Q H >< S+ 0 0 62 -4,-1.6 3,-0.9 1,-0.3 -2,-0.2 0.826 102.9 54.6 -65.7 -26.5 19.0 63.3 49.0 297 151 B X T 3< S+ 0 0 9 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.686 91.3 76.9 -72.3 -17.7 16.8 62.8 46.0 298 152 B S T < 0 0 3 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.362 360.0 360.0 -68.4 7.5 13.9 63.6 48.1 299 153 B K < 0 0 162 -3,-0.9 -185,-0.2 -196,-0.1 -186,-0.1 0.190 360.0 360.0 -71.2 360.0 14.9 67.2 47.8