==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 27-MAY-09 2KJB . COMPND 2 MOLECULE: CZRA PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.I.ARUNKUMAR,G.C.CAMPANELLO,D.P.GIEDROC . 190 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16220.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 76.8 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 . 9 4.7 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 . 2 1.1 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 . 1 0.5 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 . 13 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 44.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.6 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 2 0 1 2 1 0 2 2 0 0 0 0 0 0 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 . 2 0 0 1 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 . 1 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 9 A N 0 0 184 0, 0.0 4,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 8.9 -14.9 -9.5 3.3 2 10 A T > + 0 0 41 2,-0.1 4,-1.3 3,-0.1 5,-0.1 -0.083 360.0 108.7-136.3 34.4 -12.3 -6.8 2.7 3 11 A D T 4 S+ 0 0 121 2,-0.2 4,-0.4 3,-0.1 -1,-0.1 0.832 87.4 39.0 -80.1 -34.4 -11.2 -7.5 -0.9 4 12 A T T > S+ 0 0 110 2,-0.1 4,-1.0 3,-0.1 3,-0.5 0.911 122.7 40.2 -80.8 -46.4 -13.0 -4.4 -2.3 5 13 A L H > S+ 0 0 38 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.943 102.2 68.8 -67.7 -48.8 -12.2 -2.0 0.5 6 14 A E H X S+ 0 0 123 -4,-1.3 4,-1.2 1,-0.2 -1,-0.2 0.800 99.1 56.3 -39.5 -33.4 -8.7 -3.3 1.0 7 15 A R H >> S+ 0 0 109 -3,-0.5 3,-1.8 -4,-0.4 4,-1.6 0.992 102.6 48.4 -65.0 -63.3 -8.1 -1.6 -2.4 8 16 A V H 3X S+ 0 0 15 -4,-1.0 4,-1.5 1,-0.3 -1,-0.2 0.762 109.5 58.8 -49.1 -24.8 -9.3 1.9 -1.5 9 17 A T H 3X S+ 0 0 37 -4,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.845 100.3 53.9 -74.5 -34.5 -7.0 1.4 1.5 10 18 A E H X S+ 0 0 106 -4,-1.6 4,-1.0 2,-0.2 3,-0.8 0.990 113.6 38.0 -57.8 -66.8 -4.6 4.1 -2.5 12 20 A F H >< S+ 0 0 68 -4,-1.5 3,-0.6 1,-0.3 -1,-0.2 0.872 115.8 56.2 -53.2 -38.9 -4.7 6.4 0.5 13 21 A K H 3< S+ 0 0 171 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.862 93.7 68.9 -62.3 -35.9 -1.9 4.4 2.0 14 22 A A H << S+ 0 0 10 -4,-2.2 -1,-0.2 -3,-0.8 -2,-0.2 0.897 83.3 90.1 -49.3 -45.1 0.2 5.0 -1.0 15 23 A L << + 0 0 65 -4,-1.0 3,-0.1 -3,-0.6 2,-0.0 -0.020 46.5 144.5 -49.8 158.8 0.5 8.7 0.0 16 24 A G + 0 0 53 1,-0.5 2,-0.1 2,-0.0 -1,-0.1 -0.123 49.6 28.1-157.0-100.0 3.4 9.6 2.3 17 25 A D > - 0 0 89 1,-0.1 3,-0.7 -2,-0.0 -1,-0.5 -0.472 64.1-131.6 -80.9 153.2 5.4 12.8 2.4 18 26 A Y T >> S+ 0 0 124 1,-0.2 3,-1.4 2,-0.2 4,-0.8 0.955 101.7 71.6 -68.0 -51.3 3.9 16.1 1.2 19 27 A N H 3> S+ 0 0 52 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.718 84.7 79.4 -37.7 -21.3 6.8 17.1 -1.0 20 28 A R H <> S+ 0 0 17 -3,-0.7 4,-2.7 1,-0.2 -1,-0.3 0.975 88.4 48.0 -53.4 -63.3 5.3 14.3 -3.1 21 29 A I H <> S+ 0 0 27 -3,-1.4 4,-2.3 -4,-0.4 -1,-0.2 0.895 109.7 56.4 -44.7 -48.0 2.5 16.4 -4.6 22 30 A R H >X S+ 0 0 96 -4,-0.8 4,-1.6 1,-0.2 3,-1.0 0.965 108.6 43.3 -49.1 -66.1 5.1 19.0 -5.4 23 31 A I H 3X S+ 0 0 14 -4,-2.2 4,-2.9 1,-0.3 5,-0.2 0.897 110.9 57.3 -47.5 -46.3 7.3 16.8 -7.5 24 32 A M H 3X S+ 0 0 41 -4,-2.7 4,-1.2 -5,-0.2 -1,-0.3 0.881 103.2 55.2 -53.7 -40.2 4.2 15.3 -9.1 25 33 A E H X< S+ 0 0 120 -4,-2.3 3,-0.8 -3,-1.0 -1,-0.2 0.967 113.0 38.8 -58.2 -56.3 3.3 18.8 -10.2 26 34 A L H >X S+ 0 0 68 -4,-1.6 4,-1.8 1,-0.3 3,-1.1 0.823 116.0 54.1 -64.4 -30.9 6.6 19.5 -12.0 27 35 A L H 3< S+ 0 0 25 -4,-2.9 47,-0.4 -5,-0.3 -1,-0.3 0.673 101.0 60.5 -76.5 -16.9 6.5 15.9 -13.2 28 36 A S T << S+ 0 0 61 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.202 118.4 27.0 -93.9 15.3 3.1 16.5 -14.7 29 37 A V T <4 S+ 0 0 118 -3,-1.1 2,-0.3 1,-0.5 -2,-0.2 0.483 123.9 17.4-135.3 -67.4 4.5 19.2 -16.9 30 38 A S < - 0 0 78 -4,-1.8 -1,-0.5 0, 0.0 2,-0.5 -0.858 64.3-135.9-117.5 152.7 8.1 18.9 -17.9 31 39 A E + 0 0 127 -2,-0.3 2,-0.2 -3,-0.1 -4,-0.1 -0.923 32.9 156.7-111.5 127.9 10.5 15.9 -17.7 32 40 A A - 0 0 42 -2,-0.5 40,-0.4 1,-0.2 0, 0.0 -0.718 42.8 -71.0-134.6-175.2 14.0 16.2 -16.3 33 41 A S > - 0 0 45 -2,-0.2 4,-0.7 38,-0.1 -1,-0.2 -0.008 48.2-103.5 -70.2-177.9 16.8 14.2 -14.8 34 42 A V H > S+ 0 0 48 2,-0.1 4,-0.9 3,-0.1 -1,-0.1 0.910 116.6 33.3 -75.8 -44.2 16.7 12.8 -11.2 35 43 A G H >> S+ 0 0 16 2,-0.2 3,-2.8 3,-0.1 4,-2.2 0.988 109.5 59.3 -74.2 -73.0 19.1 15.3 -9.8 36 44 A H H 3>>S+ 0 0 134 1,-0.3 4,-2.2 2,-0.2 5,-0.7 0.769 109.0 49.8 -21.8 -54.4 18.3 18.5 -11.7 37 45 A I H 3X5S+ 0 0 16 -4,-0.7 4,-1.3 1,-0.2 -1,-0.3 0.903 115.8 42.0 -57.4 -42.8 14.8 18.2 -10.4 38 46 A S H <<>S+ 0 0 4 -3,-2.8 5,-2.4 -4,-0.9 -2,-0.2 0.919 119.7 44.1 -71.0 -44.6 16.1 17.7 -6.9 39 47 A H H ><5S+ 0 0 150 -4,-2.2 3,-1.6 3,-0.2 4,-0.2 0.999 121.4 35.0 -62.7 -71.9 18.7 20.5 -7.2 40 48 A Q H 3<5S+ 0 0 160 -4,-2.2 2,-0.4 1,-0.3 -3,-0.2 0.892 116.0 58.1 -50.1 -43.6 16.7 23.2 -9.0 41 49 A L T 3<> - 0 0 86 -2,-0.3 3,-3.3 1,-0.2 4,-1.0 -0.588 22.3-148.3 -73.7 104.8 17.9 16.7 -1.1 45 53 A Q H 3> S+ 0 0 124 -2,-0.9 4,-1.2 1,-0.3 5,-0.4 0.729 92.1 81.5 -44.4 -21.3 18.3 14.1 -3.9 46 54 A S H 34 S+ 0 0 98 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.870 98.8 36.4 -54.3 -38.4 18.8 11.7 -0.9 47 55 A N H <> S+ 0 0 80 -3,-3.3 4,-3.2 2,-0.1 3,-0.4 0.915 109.6 63.8 -80.9 -47.1 15.0 11.6 -0.6 48 56 A V H >X S+ 0 0 5 -4,-1.0 3,-2.0 2,-0.3 4,-0.9 0.916 103.7 43.8 -39.1 -81.3 14.2 11.7 -4.3 49 57 A S H 3X S+ 0 0 88 -4,-1.2 4,-1.0 1,-0.3 -1,-0.3 0.801 119.7 47.6 -36.0 -36.1 15.8 8.4 -5.3 50 58 A H H 3> S+ 0 0 130 -4,-0.5 4,-1.1 -3,-0.4 -1,-0.3 0.826 110.8 52.7 -77.4 -32.9 14.2 7.1 -2.1 51 59 A Q H XX S+ 0 0 16 -4,-3.2 3,-1.4 -3,-2.0 4,-0.6 0.999 106.6 46.3 -64.8 -75.0 10.8 8.7 -3.0 52 60 A L H 3X S+ 0 0 22 -4,-0.9 4,-3.0 1,-0.3 5,-0.3 0.842 102.3 71.2 -34.4 -47.6 10.2 7.4 -6.5 53 61 A K H 3X S+ 0 0 141 -4,-1.0 4,-2.3 -5,-0.4 -1,-0.3 0.891 102.8 40.3 -36.2 -62.1 11.2 4.0 -5.2 54 62 A L H XX S+ 0 0 88 -3,-1.4 4,-1.7 -4,-1.1 3,-1.1 0.973 116.4 44.6 -52.7 -83.2 8.0 3.7 -3.2 55 63 A L H >X>S+ 0 0 12 -4,-0.6 3,-1.7 1,-0.3 5,-1.3 0.821 112.0 56.0 -26.9 -60.5 5.4 5.1 -5.6 56 64 A K H ><5S+ 0 0 86 -4,-3.0 3,-1.8 1,-0.3 -1,-0.3 0.912 107.8 46.6 -41.4 -57.6 7.0 3.0 -8.4 57 65 A S H <<5S+ 0 0 99 -4,-2.3 -1,-0.3 -3,-1.1 -2,-0.2 0.750 108.8 58.4 -59.1 -22.7 6.5 -0.1 -6.3 58 66 A V H <<5S- 0 0 37 -3,-1.7 -1,-0.3 -4,-1.7 -2,-0.2 0.698 111.2-124.2 -79.8 -19.9 3.0 1.2 -5.8 59 67 A H T <<5S+ 0 0 168 -3,-1.8 -3,-0.2 -4,-1.3 -2,-0.1 0.486 80.5 117.4 88.5 3.9 2.4 1.3 -9.5 60 68 A L S > - 0 0 93 -16,-0.3 3,-1.1 1,-0.2 4,-0.8 -0.730 57.6-171.4 -95.4 89.6 -2.8 7.5 -16.4 77 85 A I H 3> S+ 0 0 124 -2,-1.1 4,-2.4 1,-0.3 5,-0.2 0.665 75.7 84.3 -52.9 -13.7 -3.7 11.1 -17.3 78 86 A H H 3> S+ 0 0 125 1,-0.2 4,-3.7 2,-0.2 -1,-0.3 0.968 87.2 46.8 -54.1 -59.6 -6.7 10.4 -15.2 79 87 A V H <> S+ 0 0 59 -3,-1.1 4,-3.0 1,-0.2 5,-0.3 0.900 110.0 55.6 -49.8 -45.5 -5.0 11.2 -11.9 80 88 A A H X S+ 0 0 41 -4,-0.8 4,-1.7 1,-0.2 -1,-0.2 0.930 114.6 38.0 -54.1 -49.2 -3.7 14.4 -13.4 81 89 A T H X S+ 0 0 80 -4,-2.4 4,-2.1 -3,-0.2 -2,-0.2 0.906 112.8 57.7 -69.7 -42.4 -7.2 15.5 -14.3 82 90 A M H X S+ 0 0 111 -4,-3.7 4,-2.0 -5,-0.2 -2,-0.2 0.933 107.7 47.0 -53.2 -50.4 -8.7 14.1 -11.1 83 91 A L H X S+ 0 0 57 -4,-3.0 4,-2.4 1,-0.2 5,-0.3 0.931 107.8 55.9 -58.2 -47.6 -6.4 16.3 -9.0 84 92 A K H X S+ 0 0 158 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.875 107.4 50.6 -52.9 -39.6 -7.1 19.4 -11.1 85 93 A Q H X S+ 0 0 128 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.912 107.2 53.1 -65.9 -43.1 -10.8 18.8 -10.4 86 94 A A H X S+ 0 0 40 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.935 116.7 37.7 -57.8 -48.7 -10.2 18.6 -6.6 87 95 A I H < S+ 0 0 65 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.804 114.1 57.2 -73.2 -29.5 -8.3 21.9 -6.6 88 96 A H H < S+ 0 0 146 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.796 111.9 41.8 -71.0 -28.1 -10.7 23.4 -9.1 89 97 A H H < S+ 0 0 108 -4,-2.1 2,-2.7 1,-0.2 -2,-0.2 0.749 87.0 90.8 -88.6 -27.2 -13.6 22.6 -6.8 90 98 A A < + 0 0 48 -4,-1.5 2,-0.5 -5,-0.2 -1,-0.2 0.204 66.0 120.7 -57.0 26.8 -11.7 23.7 -3.7 91 99 A N - 0 0 108 -2,-2.7 -3,-0.0 -3,-0.2 -4,-0.0 -0.840 69.2-131.8-100.3 129.1 -13.3 27.1 -4.6 92 100 A H - 0 0 151 -2,-0.5 2,-8.7 1,-0.1 -2,-0.1 -0.588 15.6-145.7 -79.5 87.6 -15.6 28.7 -2.1 93 101 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.078 57.5 -84.1 -47.1 44.0 -18.6 29.6 -4.4 94 102 A K 0 0 150 -2,-8.7 0, 0.0 1,-0.2 0, 0.0 -0.235 360.0 360.0 78.3-171.8 -18.9 32.7 -2.2 95 103 A E 0 0 194 -2,-0.0 -1,-0.2 -3,-0.0 -3,-0.1 -0.308 360.0 360.0 54.5 360.0 -20.8 32.8 1.1 96 !* 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 97 9 B N 0 0 172 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 161.8 4.9 27.5 -1.3 98 10 B T - 0 0 67 1,-0.1 4,-0.4 2,-0.0 0, 0.0 -0.950 360.0 -74.8 175.2-157.4 1.5 29.0 -0.3 99 11 B D S > S+ 0 0 125 -2,-0.3 4,-1.5 2,-0.1 -1,-0.1 0.642 112.2 69.6-102.7 -21.5 -1.9 28.1 1.2 100 12 B T H >> S+ 0 0 90 2,-0.2 4,-1.3 1,-0.2 3,-0.9 0.994 107.3 33.3 -59.4 -67.4 -3.3 26.4 -1.9 101 13 B L H 3> S+ 0 0 42 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.929 112.0 63.6 -55.4 -48.2 -1.1 23.3 -1.8 102 14 B E H 3> S+ 0 0 132 -4,-0.4 4,-0.5 1,-0.2 3,-0.4 0.843 101.3 54.6 -45.0 -37.7 -1.0 23.3 2.0 103 15 B R H XX S+ 0 0 139 -4,-1.5 3,-3.6 -3,-0.9 4,-1.3 0.985 101.4 52.7 -61.8 -60.6 -4.8 22.8 1.8 104 16 B V H 3X S+ 0 0 11 -4,-1.3 4,-1.0 1,-0.3 -1,-0.2 0.685 106.0 60.5 -50.2 -15.6 -4.7 19.7 -0.4 105 17 B T H 3X S+ 0 0 25 -4,-1.2 4,-1.2 -3,-0.4 -1,-0.3 0.700 98.1 56.0 -85.5 -21.3 -2.3 18.5 2.3 106 18 B E H < S+ 0 0 77 -4,-1.0 3,-0.6 1,-0.2 -1,-0.2 0.880 114.4 57.1 -55.9 -39.3 -5.1 13.6 3.0 109 21 B K H 3< S+ 0 0 137 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.886 95.7 64.4 -59.9 -39.6 -3.8 14.4 6.4 110 22 B A H 3< S+ 0 0 11 -4,-2.7 -1,-0.2 -3,-0.4 -2,-0.2 0.884 85.6 92.1 -51.3 -41.5 -7.3 14.1 7.9 111 23 B L << + 0 0 61 -4,-1.0 3,-0.1 -3,-0.6 2,-0.1 -0.137 46.4 141.6 -53.9 150.7 -7.3 10.4 6.9 112 24 B G + 0 0 51 1,-0.5 2,-0.1 2,-0.0 -1,-0.1 -0.083 49.4 30.2-151.3-104.2 -6.1 8.1 9.6 113 25 B D > - 0 0 80 1,-0.1 3,-0.7 -2,-0.1 -1,-0.5 -0.459 62.7-137.4 -74.1 144.6 -7.4 4.6 10.6 114 26 B Y T >> S+ 0 0 162 1,-0.2 3,-2.4 2,-0.2 4,-0.7 0.950 99.7 69.4 -66.0 -50.2 -8.9 2.5 7.8 115 27 B N H 3> S+ 0 0 69 1,-0.3 4,-1.5 2,-0.2 3,-0.4 0.770 85.5 76.2 -38.8 -29.0 -11.8 1.3 9.9 116 28 B R H <> S+ 0 0 18 -3,-0.7 4,-2.2 1,-0.3 -1,-0.3 0.928 88.0 54.6 -50.5 -50.9 -12.9 4.9 9.6 117 29 B I H <> S+ 0 0 21 -3,-2.4 4,-2.4 -4,-0.4 -1,-0.3 0.879 101.9 60.9 -51.5 -40.7 -14.1 4.3 6.1 118 30 B R H X S+ 0 0 121 -4,-0.7 4,-1.9 -3,-0.4 3,-0.4 0.963 105.9 43.4 -51.4 -60.9 -16.2 1.4 7.4 119 31 B I H X S+ 0 0 20 -4,-1.5 4,-2.8 1,-0.2 -1,-0.2 0.905 110.4 57.6 -52.5 -44.9 -18.3 3.7 9.6 120 32 B M H X S+ 0 0 49 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.905 104.5 52.3 -53.2 -44.7 -18.5 6.2 6.9 121 33 B E H X S+ 0 0 98 -4,-2.4 4,-0.7 -3,-0.4 -1,-0.2 0.962 112.3 42.9 -56.9 -55.4 -20.1 3.6 4.6 122 34 B L H >< S+ 0 0 69 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.852 113.6 54.2 -60.1 -34.8 -22.8 2.7 7.1 123 35 B L H >< S+ 0 0 29 -4,-2.8 3,-0.5 -5,-0.2 -1,-0.2 0.882 92.9 69.7 -67.0 -38.6 -23.3 6.4 7.9 124 36 B S H 3< S+ 0 0 73 -4,-2.6 2,-0.3 1,-0.3 -1,-0.2 0.810 118.9 19.2 -48.8 -31.1 -23.8 7.1 4.2 125 37 B V T << S+ 0 0 116 -4,-0.7 -1,-0.3 -3,-0.7 2,-0.2 -0.756 119.4 27.8-146.5 95.0 -27.1 5.3 4.6 126 38 B S < - 0 0 68 -3,-0.5 2,-0.2 -2,-0.3 0, 0.0 -0.835 57.0-131.8 144.8 178.5 -28.5 4.8 8.2 127 39 B E + 0 0 144 -2,-0.2 2,-0.2 42,-0.1 40,-0.0 -0.764 30.1 148.1-170.6 119.7 -28.5 6.4 11.6 128 40 B A - 0 0 41 -2,-0.2 40,-0.3 1,-0.2 -2,-0.0 -0.740 46.4 -68.7-140.0-172.3 -28.0 4.9 15.1 129 41 B S > - 0 0 49 -2,-0.2 4,-0.8 38,-0.1 -1,-0.2 -0.057 47.2-105.4 -73.9-178.5 -26.6 5.8 18.5 130 42 B V H > S+ 0 0 38 2,-0.1 4,-0.7 3,-0.1 -1,-0.1 0.931 117.1 29.7 -75.8 -47.9 -22.9 6.5 19.3 131 43 B G H >> S+ 0 0 16 2,-0.2 3,-1.8 3,-0.1 4,-1.7 0.973 112.9 61.3 -75.7 -58.9 -22.3 3.2 21.1 132 44 B H H 3> S+ 0 0 129 1,-0.3 4,-2.1 2,-0.2 5,-0.4 0.861 103.8 51.5 -31.8 -61.8 -24.8 1.0 19.3 133 45 B I H 3X S+ 0 0 19 -4,-0.8 4,-1.6 1,-0.2 -1,-0.3 0.867 116.0 43.8 -47.0 -40.8 -22.9 1.6 16.0 134 46 B S H <<>S+ 0 0 0 -3,-1.8 5,-1.6 -4,-0.7 -2,-0.2 0.998 112.6 47.0 -68.9 -69.8 -19.7 0.7 17.8 135 47 B H H ><5S+ 0 0 139 -4,-1.7 3,-2.0 3,-0.2 -2,-0.2 0.895 117.6 43.9 -35.7 -66.5 -20.8 -2.4 19.8 136 48 B Q H 3<5S+ 0 0 155 -4,-2.1 2,-0.8 1,-0.3 -1,-0.2 0.952 110.8 51.6 -45.3 -68.9 -22.6 -3.9 16.7 137 49 B L T 3<5S- 0 0 59 -4,-1.6 -1,-0.3 -5,-0.4 -2,-0.2 0.299 120.8-115.0 -56.8 18.7 -19.7 -3.1 14.3 138 50 B N T < 5 + 0 0 151 -3,-2.0 2,-0.4 -2,-0.8 -3,-0.2 0.930 66.8 148.3 42.8 62.2 -17.7 -4.9 17.0 139 51 B L < - 0 0 48 -5,-1.6 2,-0.8 -8,-0.2 -1,-0.2 -0.955 54.5-113.6-128.3 146.9 -15.8 -1.7 17.8 140 52 B S >> - 0 0 73 -2,-0.4 3,-3.0 1,-0.2 4,-1.2 -0.681 17.2-146.8 -81.5 109.3 -14.3 -0.4 21.0 141 53 B Q H 3> S+ 0 0 115 -2,-0.8 4,-1.1 1,-0.3 5,-0.3 0.722 94.1 79.5 -46.1 -20.2 -16.2 2.7 22.1 142 54 B S H 34 S+ 0 0 97 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.883 105.0 28.1 -56.9 -39.7 -12.8 3.7 23.4 143 55 B N H X> S+ 0 0 96 -3,-3.0 4,-2.6 2,-0.1 3,-1.1 0.932 111.6 65.7 -86.5 -56.3 -11.7 4.7 19.9 144 56 B V H 3X S+ 0 0 10 -4,-1.2 4,-0.7 1,-0.3 3,-0.5 0.841 101.9 48.1 -28.5 -78.7 -15.1 5.6 18.3 145 57 B S H 3X S+ 0 0 77 -4,-1.1 4,-1.4 1,-0.3 -1,-0.3 0.836 115.1 48.8 -33.5 -47.3 -15.7 8.6 20.6 146 58 B H H <> S+ 0 0 130 -3,-1.1 4,-1.3 -4,-0.5 -1,-0.3 0.948 109.5 52.8 -61.7 -50.4 -12.1 9.6 19.7 147 59 B Q H >< S+ 0 0 28 -4,-2.6 3,-0.6 -3,-0.5 4,-0.4 0.955 103.8 50.6 -48.1 -84.7 -12.6 9.1 16.0 148 60 B L H 3X S+ 0 0 32 -4,-0.7 4,-3.3 1,-0.2 5,-0.3 0.760 104.3 65.5 -20.5 -56.0 -15.7 11.3 15.3 149 61 B K H 3X S+ 0 0 132 -4,-1.4 4,-2.5 -5,-0.3 5,-0.3 0.894 103.3 41.6 -35.4 -78.5 -13.9 14.0 17.2 150 62 B L H XX S+ 0 0 84 -4,-1.3 3,-2.7 -3,-0.6 4,-1.1 0.888 117.2 44.6 -35.3 -84.8 -11.1 14.5 14.6 151 63 B L H >>>S+ 0 0 14 -4,-0.4 3,-2.7 1,-0.3 5,-1.4 0.827 113.8 52.2 -27.9 -59.0 -13.1 14.2 11.5 152 64 B K H ><5S+ 0 0 114 -4,-3.3 3,-0.8 1,-0.3 -1,-0.3 0.871 109.5 49.3 -49.9 -40.0 -15.7 16.5 13.1 153 65 B S H <<5S+ 0 0 96 -3,-2.7 -1,-0.3 -4,-2.5 -2,-0.2 0.560 106.3 58.7 -77.1 -7.4 -12.9 18.9 13.8 154 66 B V H <<5S- 0 0 40 -3,-2.7 -1,-0.2 -4,-1.1 -2,-0.2 0.566 111.6-119.4 -95.6 -12.1 -11.8 18.5 10.2 155 67 B H T <<5S+ 0 0 174 -4,-0.9 -3,-0.2 -3,-0.8 -2,-0.1 0.530 86.8 110.7 84.8 6.6 -15.1 19.8 8.8 156 68 B L S > - 0 0 86 -16,-0.3 3,-1.0 1,-0.1 4,-0.9 -0.803 55.3-174.7-112.3 90.3 -22.1 17.2 1.6 173 85 B I H 3> S+ 0 0 126 -2,-0.7 4,-2.7 1,-0.2 5,-0.3 0.712 75.3 83.8 -54.5 -18.5 -23.4 14.5 -0.7 174 86 B H H 3> S+ 0 0 112 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.954 91.5 42.4 -49.5 -59.7 -20.5 15.5 -2.9 175 87 B V H <> S+ 0 0 59 -3,-1.0 4,-2.9 1,-0.2 -1,-0.2 0.884 110.6 59.3 -55.9 -40.1 -18.0 13.3 -1.1 176 88 B A H X S+ 0 0 36 -4,-0.9 4,-1.6 1,-0.2 -1,-0.2 0.947 113.3 35.7 -54.2 -53.1 -20.7 10.6 -1.0 177 89 B T H X S+ 0 0 85 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.898 113.5 59.1 -68.5 -41.0 -20.9 10.4 -4.7 178 90 B M H X S+ 0 0 92 -4,-3.2 4,-1.7 -5,-0.3 -2,-0.2 0.906 106.4 48.3 -54.2 -44.4 -17.2 11.1 -5.2 179 91 B L H X S+ 0 0 51 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.908 109.6 52.3 -63.6 -42.7 -16.4 8.0 -3.2 180 92 B K H X S+ 0 0 159 -4,-1.6 4,-3.1 -5,-0.2 -2,-0.2 0.907 107.3 52.4 -60.3 -42.7 -18.8 5.9 -5.2 181 93 B Q H X S+ 0 0 148 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.886 109.1 50.1 -61.2 -39.3 -17.2 7.1 -8.5 182 94 B A H X S+ 0 0 41 -4,-1.7 4,-0.5 -5,-0.2 -1,-0.2 0.887 115.9 41.6 -66.7 -39.3 -13.8 6.0 -7.2 183 95 B I H < S+ 0 0 68 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.829 107.7 61.3 -76.7 -33.0 -15.1 2.6 -6.2 184 96 B H H < S+ 0 0 164 -4,-3.1 3,-0.3 1,-0.2 -1,-0.2 0.829 112.1 38.7 -62.3 -31.6 -17.2 2.3 -9.4 185 97 B H H < S+ 0 0 113 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.576 81.6 113.5 -93.4 -12.4 -13.9 2.5 -11.4 186 98 B A S < S+ 0 0 55 -4,-0.5 2,-0.6 1,-0.2 -1,-0.2 0.785 87.9 30.6 -23.2 -56.6 -12.0 0.4 -8.8 187 99 B N S S- 0 0 99 -4,-0.4 -1,-0.2 -3,-0.3 -4,-0.0 -0.927 94.7-127.5-116.2 110.6 -11.7 -2.2 -11.5 188 100 B H - 0 0 104 -2,-0.6 -1,-0.2 2,-0.1 0, 0.0 0.429 41.1 -83.9 -32.1-165.9 -11.6 -1.0 -15.1 189 101 B P - 0 0 89 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.969 65.5 -81.1 -74.1 -84.4 -14.1 -2.5 -17.6 190 102 B K 0 0 167 1,-0.4 -2,-0.1 0, 0.0 0, 0.0 0.336 360.0 360.0-158.6 -34.0 -12.7 -5.7 -19.0 191 103 B E 0 0 209 0, 0.0 -1,-0.4 0, 0.0 0, 0.0 -0.497 360.0 360.0-114.0 360.0 -10.2 -5.0 -21.8