==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 15-JUL-11 3SXM . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, GNTR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR G.P.CZELAKOWSKI,Z.S.DEREWENDA,INTEGRATED CENTER FOR STRUCTUR . 274 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13874.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 81.8 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 . 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 . 9 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 2 0 0 0 0 0 2 0 0 0 0 2 0 2 2 0 4 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 72 A G 0 0 136 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.3 -13.0 8.6 4.4 2 73 A A - 0 0 64 1,-0.0 2,-1.4 0, 0.0 5,-0.2 -0.447 360.0-109.9 -91.0 162.2 -12.3 12.3 5.1 3 74 A M S S+ 0 0 79 -2,-0.2 2,-0.2 4,-0.1 -1,-0.0 -0.775 74.7 132.6 -87.8 89.6 -9.0 14.0 5.3 4 75 A D S > S- 0 0 70 -2,-1.4 4,-2.0 1,-0.0 5,-0.2 -0.598 74.0 -73.6-132.9-173.8 -9.3 14.5 9.1 5 76 A E H > S+ 0 0 70 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.897 127.9 52.6 -55.9 -42.8 -7.4 14.1 12.3 6 77 A K H > S+ 0 0 101 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.910 107.6 52.0 -61.3 -42.3 -7.7 10.3 12.2 7 78 A F H > S+ 0 0 39 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.924 113.1 45.3 -58.7 -42.7 -6.3 10.2 8.7 8 79 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.953 113.5 47.4 -69.6 -48.1 -3.3 12.3 9.8 9 80 A R H X S+ 0 0 104 -4,-2.8 4,-2.7 1,-0.3 5,-0.2 0.881 110.5 53.2 -63.3 -37.9 -2.6 10.4 13.0 10 81 A E H X S+ 0 0 14 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.3 0.874 108.8 50.5 -64.6 -39.6 -2.9 7.1 11.2 11 82 A T H X S+ 0 0 1 -4,-1.5 4,-2.2 -5,-0.2 -2,-0.2 0.944 112.4 44.5 -64.2 -50.7 -0.3 8.3 8.6 12 83 A I H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.914 112.6 51.7 -62.2 -42.9 2.2 9.4 11.3 13 84 A E H X S+ 0 0 34 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.903 109.3 51.2 -63.4 -41.4 1.7 6.2 13.3 14 85 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.905 110.1 49.5 -61.3 -40.6 2.4 4.1 10.1 15 86 A R H X>S+ 0 0 8 -4,-2.2 4,-3.0 2,-0.2 5,-0.5 0.909 109.5 50.7 -62.9 -42.0 5.5 6.1 9.5 16 87 A I H X>S+ 0 0 18 -4,-2.5 4,-2.0 1,-0.2 5,-0.6 0.964 111.1 50.8 -60.2 -51.1 6.7 5.6 13.1 17 88 A M H X5S+ 0 0 4 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.910 121.0 31.2 -48.4 -55.7 6.1 1.8 12.7 18 89 A M H X5S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.919 122.2 44.6 -77.8 -48.8 8.0 1.5 9.4 19 90 A E H X5S+ 0 0 0 -4,-3.0 4,-2.8 -5,-0.3 5,-0.2 0.909 115.4 46.3 -67.8 -43.5 10.8 4.1 9.8 20 91 A V H X S+ 0 0 13 -4,-0.4 4,-3.0 -3,-0.4 5,-0.2 0.847 72.7 46.6 -44.7 -51.2 21.3 1.4 11.9 28 99 A D H > S+ 0 0 134 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.874 111.8 51.2 -68.1 -37.0 24.9 0.6 10.8 29 100 A K H 4 S+ 0 0 135 -3,-0.4 4,-0.4 2,-0.2 -1,-0.2 0.914 113.5 45.4 -61.5 -44.0 23.9 0.4 7.1 30 101 A I H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 6,-0.3 0.958 112.1 51.8 -62.5 -48.1 22.2 3.8 7.4 31 102 A A H 3< S+ 0 0 28 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.802 112.6 45.2 -60.4 -33.3 25.1 5.3 9.3 32 103 A G T 3< S+ 0 0 66 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.434 87.5 116.7 -93.4 4.0 27.6 4.2 6.8 33 104 A S <> - 0 0 24 -3,-1.6 4,-1.1 -4,-0.4 -3,-0.0 -0.420 60.9-143.8 -79.0 141.8 25.7 5.2 3.7 34 105 A E H > S+ 0 0 157 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.863 101.2 63.1 -67.2 -33.7 27.0 7.9 1.3 35 106 A E H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.894 97.1 55.9 -60.9 -39.8 23.5 9.1 0.8 36 107 A L H > S+ 0 0 0 -6,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.913 110.2 45.3 -60.0 -43.7 23.2 10.0 4.4 37 108 A L H X S+ 0 0 93 -4,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.857 109.1 54.2 -69.2 -35.9 26.2 12.3 4.1 38 109 A E H X S+ 0 0 112 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.902 111.2 47.4 -62.4 -38.6 25.0 13.8 0.9 39 110 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.945 110.2 51.7 -67.9 -46.2 21.7 14.7 2.6 40 111 A K H X S+ 0 0 59 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.892 108.5 52.6 -54.6 -42.3 23.6 16.1 5.6 41 112 A G H X S+ 0 0 39 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.866 107.0 51.6 -63.3 -40.1 25.7 18.2 3.2 42 113 A E H < S+ 0 0 56 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.914 112.1 46.3 -60.2 -46.7 22.5 19.6 1.6 43 114 A I H < S+ 0 0 11 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.897 114.3 47.4 -67.6 -36.1 21.1 20.6 5.0 44 115 A D H < S+ 0 0 63 -4,-2.3 2,-2.6 -5,-0.2 -1,-0.2 0.690 83.8 92.5 -80.2 -20.0 24.4 22.2 6.2 45 116 A D < 0 0 130 -4,-1.4 -1,-0.1 -5,-0.2 -4,-0.0 -0.690 360.0 360.0 -79.4 90.6 24.8 24.1 2.9 46 117 A V 0 0 128 -2,-2.6 -1,-0.2 6,-0.0 6,-0.0 0.500 360.0 360.0 132.9 360.0 23.1 26.9 4.7 47 ! 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 48 121 A A > 0 0 80 0, 0.0 4,-2.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 25.7 16.7 28.7 1.8 49 122 A A H > + 0 0 26 1,-0.2 4,-2.3 2,-0.2 49,-0.0 0.851 360.0 54.8 -45.4 -44.3 15.0 26.4 4.3 50 123 A R H > S+ 0 0 140 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.918 108.8 44.8 -56.5 -51.1 12.3 25.6 1.8 51 124 A E H > S+ 0 0 156 -3,-0.4 4,-0.8 1,-0.2 5,-0.3 0.900 113.9 50.5 -64.0 -38.5 14.6 24.4 -0.9 52 125 A I H X S+ 0 0 16 -4,-2.4 4,-1.7 1,-0.1 5,-0.2 0.933 110.9 52.1 -65.5 -41.4 16.7 22.4 1.6 53 126 A F H X S+ 0 0 21 -4,-2.3 4,-3.2 -5,-0.3 5,-0.4 0.944 98.7 53.3 -62.2 -64.2 13.5 20.7 2.9 54 127 A D H X S+ 0 0 43 -4,-1.6 4,-1.5 1,-0.2 5,-0.3 0.899 118.9 35.3 -43.0 -59.7 11.5 19.2 0.1 55 128 A D H X S+ 0 0 72 -4,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.958 121.4 45.9 -61.2 -54.6 14.5 17.2 -1.3 56 129 A S H X S+ 0 0 0 -4,-1.7 4,-2.5 -5,-0.3 5,-0.2 0.858 109.6 52.5 -62.1 -40.8 16.2 16.4 2.0 57 130 A D H X S+ 0 0 3 -4,-3.2 4,-2.2 -5,-0.2 5,-0.3 0.967 112.7 42.8 -65.3 -50.7 13.1 15.3 3.9 58 131 A E H X S+ 0 0 62 -4,-1.5 4,-2.5 -5,-0.4 5,-0.2 0.946 117.0 48.6 -62.9 -44.4 11.9 12.7 1.3 59 132 A R H X S+ 0 0 52 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.900 111.1 49.1 -61.9 -41.5 15.4 11.4 0.7 60 133 A L H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.942 114.9 41.9 -67.3 -49.4 16.2 11.0 4.4 61 134 A H H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.904 115.4 50.0 -70.7 -37.9 13.0 9.1 5.4 62 135 A K H X S+ 0 0 52 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 0.822 105.3 59.9 -64.5 -31.4 13.1 6.9 2.2 63 136 A L H X S+ 0 0 19 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.896 101.0 53.4 -63.2 -40.8 16.8 6.1 3.0 64 137 A F H < S+ 0 0 0 -4,-1.5 4,-0.4 1,-0.2 -1,-0.2 0.941 114.4 41.9 -60.3 -45.2 15.9 4.6 6.3 65 138 A I H >< S+ 0 0 4 -4,-1.4 3,-1.5 1,-0.2 5,-0.4 0.931 112.9 52.6 -67.2 -46.1 13.4 2.3 4.6 66 139 A R H >< S+ 0 0 131 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.837 96.2 68.1 -61.6 -34.1 15.7 1.5 1.6 67 140 A A T 3< S+ 0 0 6 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.689 87.0 69.7 -63.9 -20.8 18.5 0.5 3.9 68 141 A S T < S- 0 0 10 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.775 89.9-147.5 -61.4 -30.8 16.4 -2.6 5.0 69 142 A G < + 0 0 28 -3,-1.9 2,-0.8 -4,-0.4 -2,-0.1 0.604 53.1 136.8 64.4 13.7 16.9 -4.1 1.5 70 143 A N > - 0 0 1 -5,-0.4 4,-2.7 1,-0.2 -1,-0.2 -0.819 42.5-163.2 -95.7 104.7 13.4 -5.5 2.0 71 144 A E H > S+ 0 0 97 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.793 88.1 54.5 -63.6 -29.5 11.6 -5.0 -1.2 72 145 A L H > S+ 0 0 11 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.957 110.6 44.2 -66.8 -46.4 8.2 -5.6 0.4 73 146 A I H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.927 115.1 50.2 -61.1 -45.4 8.8 -2.9 3.0 74 147 A I H X S+ 0 0 11 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.909 111.5 48.1 -57.4 -46.0 10.2 -0.6 0.3 75 148 A S H X S+ 0 0 60 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.873 110.3 50.8 -69.5 -34.2 7.1 -1.2 -1.9 76 149 A L H X S+ 0 0 9 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.909 110.9 49.0 -70.0 -37.2 4.7 -0.6 1.0 77 150 A Y H X S+ 0 0 3 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.917 110.8 50.6 -69.0 -40.1 6.3 2.7 1.9 78 151 A E H >< S+ 0 0 108 -4,-2.3 3,-0.9 1,-0.2 4,-0.5 0.904 107.3 55.1 -60.5 -41.2 6.2 3.7 -1.8 79 152 A K H 3< S+ 0 0 128 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.869 113.9 39.3 -60.2 -36.7 2.5 2.8 -1.9 80 153 A I H 3X S+ 0 0 7 -4,-1.6 4,-2.5 1,-0.2 3,-0.3 0.400 89.0 98.2 -91.5 -2.3 1.8 5.1 1.0 81 154 A W H S+ 0 0 127 -4,-0.5 4,-2.2 -3,-0.3 -1,-0.2 0.871 112.2 47.1 -61.6 -37.1 1.5 10.1 -1.8 83 156 A R H > S+ 0 0 50 -3,-0.3 4,-2.4 -4,-0.2 -1,-0.2 0.930 112.1 49.0 -67.2 -45.1 -0.5 9.9 1.5 84 157 A I H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.923 112.8 49.3 -54.0 -45.2 2.7 10.8 3.5 85 158 A D H X S+ 0 0 36 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.854 107.6 53.3 -69.7 -39.7 3.3 13.6 1.1 86 159 A L H < S+ 0 0 73 -4,-2.2 4,-0.5 -5,-0.2 -1,-0.2 0.957 110.9 47.6 -57.1 -51.0 -0.2 15.0 1.4 87 160 A V H >< S+ 0 0 3 -4,-2.4 3,-1.5 1,-0.2 4,-0.4 0.914 108.7 54.5 -60.5 -38.4 0.1 15.1 5.1 88 161 A R H >< S+ 0 0 32 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.878 105.4 53.3 -59.5 -42.2 3.5 16.8 4.9 89 162 A H T 3< S+ 0 0 117 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.530 88.3 81.4 -76.5 -1.6 2.0 19.5 2.8 90 163 A L T < S+ 0 0 30 -3,-1.5 2,-0.3 -4,-0.5 -1,-0.2 0.791 103.8 21.7 -74.5 -25.9 -0.7 20.3 5.3 91 164 A N S < S- 0 0 35 -3,-0.9 2,-0.6 -4,-0.4 -1,-0.2 -0.970 75.1-133.8-149.6 127.8 1.5 22.4 7.5 92 165 A E + 0 0 117 -2,-0.3 3,-0.1 -3,-0.1 -3,-0.1 -0.722 37.6 150.4 -88.1 113.6 4.8 24.2 6.7 93 166 A R >> + 0 0 29 -2,-0.6 4,-2.6 1,-0.1 3,-0.6 0.005 14.6 146.1-124.1 23.6 7.5 23.7 9.3 94 167 A Y H 3> + 0 0 46 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.782 68.9 44.3 -41.2 -51.8 10.7 24.0 7.2 95 168 A V H 3> S+ 0 0 86 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.933 119.0 41.5 -62.8 -48.5 13.1 25.6 9.6 96 169 A V H <> S+ 0 0 48 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.902 116.5 47.4 -71.6 -39.1 12.2 23.4 12.6 97 170 A S H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.902 110.6 54.0 -67.6 -37.0 12.0 20.1 10.6 98 171 A N H X S+ 0 0 15 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.854 109.7 47.9 -61.6 -36.1 15.3 21.0 8.9 99 172 A R H X S+ 0 0 133 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.922 110.4 50.2 -70.6 -45.7 16.9 21.4 12.4 100 173 A E H X S+ 0 0 12 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.897 112.2 49.1 -58.9 -41.3 15.4 18.1 13.7 101 174 A H H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.907 107.7 53.3 -66.2 -44.2 16.8 16.3 10.6 102 175 A K H X S+ 0 0 112 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.925 113.8 42.9 -54.6 -47.3 20.2 17.9 11.0 103 176 A E H X S+ 0 0 86 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.876 111.4 54.1 -70.6 -37.3 20.4 16.6 14.6 104 177 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.929 109.3 48.9 -58.4 -50.4 18.9 13.2 13.8 105 178 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.929 109.6 51.3 -58.5 -41.7 21.6 12.7 11.2 106 179 A E H X S+ 0 0 93 -4,-1.9 4,-2.2 -5,-0.2 6,-0.2 0.906 108.2 52.4 -67.9 -34.3 24.4 13.8 13.6 107 180 A R H <>S+ 0 0 68 -4,-2.3 5,-2.2 1,-0.2 4,-0.4 0.909 111.8 47.3 -62.2 -44.0 23.1 11.3 16.2 108 181 A I H ><5S+ 0 0 1 -4,-2.2 3,-1.5 3,-0.2 -2,-0.2 0.962 113.3 46.7 -60.6 -54.8 23.2 8.6 13.6 109 182 A I H 3<5S+ 0 0 58 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.838 110.3 53.0 -56.8 -37.6 26.7 9.5 12.4 110 183 A S T 3<5S- 0 0 73 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.494 117.8-110.1 -82.6 -1.3 28.1 9.7 15.9 111 184 A G T < 5S+ 0 0 49 -3,-1.5 2,-1.7 -4,-0.4 3,-0.2 0.597 70.7 141.2 89.0 9.5 26.8 6.2 16.7 112 185 A D >< + 0 0 70 -5,-2.2 4,-2.4 -6,-0.2 -1,-0.2 -0.607 16.3 164.7 -86.5 78.4 24.1 7.3 19.1 113 186 A K H > S+ 0 0 95 -2,-1.7 4,-2.4 2,-0.2 5,-0.2 0.934 72.7 48.9 -65.0 -45.2 21.5 4.7 18.1 114 187 A E H > S+ 0 0 151 1,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.936 114.6 46.4 -61.6 -45.3 19.2 5.2 21.1 115 188 A G H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.860 109.7 54.5 -67.4 -34.9 19.3 9.0 20.7 116 189 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -9,-0.2 -1,-0.2 0.936 108.4 47.9 -65.3 -42.3 18.6 8.7 16.9 117 190 A I H X S+ 0 0 23 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.930 111.9 51.0 -63.3 -42.1 15.5 6.6 17.5 118 191 A E H X S+ 0 0 96 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.923 110.6 48.5 -59.3 -44.5 14.4 9.1 20.0 119 192 A K H X S+ 0 0 25 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.878 109.9 51.1 -67.7 -38.1 14.9 12.0 17.7 120 193 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.934 113.0 45.7 -61.6 -47.9 13.1 10.3 14.8 121 194 A K H X S+ 0 0 92 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.925 113.7 50.1 -61.7 -45.5 10.0 9.6 17.1 122 195 A E H X S+ 0 0 76 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.909 109.7 51.4 -59.9 -44.2 10.2 13.1 18.4 123 196 A H H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.939 113.3 43.2 -58.1 -48.9 10.3 14.5 14.9 124 197 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.909 115.5 47.8 -70.1 -38.9 7.3 12.6 13.7 125 198 A K H X S+ 0 0 121 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.846 112.8 50.4 -67.6 -33.3 5.2 13.2 16.9 126 199 A N H X S+ 0 0 65 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.920 110.6 48.1 -71.0 -45.0 6.1 17.0 16.7 127 200 A V H X S+ 0 0 17 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.936 113.4 49.6 -55.4 -49.0 5.0 17.1 13.0 128 201 A E H X S+ 0 0 27 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.933 111.2 47.5 -55.9 -53.2 1.8 15.3 14.0 129 202 A A H X S+ 0 0 57 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.882 113.9 46.6 -61.2 -42.6 1.0 17.6 16.9 130 203 A E H X S+ 0 0 74 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.868 110.9 52.0 -72.5 -33.5 1.7 20.8 14.9 131 204 A T H < S+ 0 0 4 -4,-2.5 3,-0.4 -5,-0.2 4,-0.3 0.950 113.0 44.9 -66.7 -42.3 -0.4 19.6 11.9 132 205 A I H >< S+ 0 0 23 -4,-2.6 3,-1.3 1,-0.2 4,-0.3 0.891 109.4 56.0 -65.8 -40.6 -3.3 18.8 14.2 133 206 A K H 3< S+ 0 0 160 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.777 114.6 40.1 -62.9 -26.6 -2.9 22.2 16.0 134 207 A N T >< S+ 0 0 43 -4,-1.2 3,-1.6 -3,-0.4 -1,-0.3 0.308 81.5 106.3-107.0 12.1 -3.2 24.0 12.7 135 208 A L T < S+ 0 0 17 -3,-1.3 3,-0.2 1,-0.3 -1,-0.2 0.721 90.4 35.7 -70.3 -17.4 -6.0 21.8 11.2 136 209 A Y T 3 S+ 0 0 183 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.183 96.5 83.5-121.1 24.7 -8.5 24.6 11.7 137 210 A T < 0 0 87 -3,-1.6 -2,-0.1 0, 0.0 -1,-0.1 0.142 360.0 360.0-110.9 17.0 -6.3 27.6 11.0 138 211 A Y 0 0 191 -3,-0.2 -3,-0.0 -4,-0.1 0, 0.0 -0.372 360.0 360.0 -72.9 360.0 -6.6 27.6 7.2 139 !* 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 0.0 140 72 B G 0 0 136 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.2 10.9 -12.1 -8.8 141 73 B A - 0 0 65 1,-0.1 2,-1.4 0, 0.0 5,-0.2 -0.451 360.0-108.9 -83.3 161.2 11.0 -15.8 -7.8 142 74 B M S S+ 0 0 78 -2,-0.1 2,-0.2 4,-0.1 -1,-0.1 -0.768 73.8 134.9 -89.3 89.3 9.4 -17.4 -4.8 143 75 B D S > S- 0 0 70 -2,-1.4 4,-2.1 1,-0.0 5,-0.2 -0.577 72.6 -72.6-130.8-173.5 12.7 -17.9 -3.0 144 76 B E H > S+ 0 0 67 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.912 128.3 52.1 -55.9 -42.7 14.5 -17.5 0.4 145 77 B K H > S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.912 107.5 51.9 -61.4 -43.5 14.5 -13.8 0.0 146 78 B F H > S+ 0 0 41 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.932 113.0 45.3 -57.3 -44.5 10.8 -13.7 -0.7 147 79 B I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.949 113.7 47.7 -63.4 -51.4 10.1 -15.7 2.5 148 80 B R H X S+ 0 0 100 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.888 110.5 52.5 -63.7 -40.3 12.5 -13.7 4.7 149 81 B E H X S+ 0 0 14 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.876 109.0 50.8 -62.1 -39.4 11.0 -10.4 3.5 150 82 B T H X S+ 0 0 1 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.939 112.3 44.6 -63.4 -50.9 7.5 -11.6 4.3 151 83 B I H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.916 112.1 52.8 -64.7 -41.0 8.3 -12.7 7.8 152 84 B E H X S+ 0 0 36 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.900 108.6 50.6 -60.5 -42.6 10.3 -9.5 8.5 153 85 B T H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 5,-0.3 0.907 109.9 50.5 -62.5 -41.6 7.4 -7.4 7.4 154 86 B R H X S+ 0 0 8 -4,-2.2 4,-3.0 2,-0.2 5,-0.5 0.907 109.5 49.9 -60.7 -42.5 5.1 -9.4 9.7 155 87 B I H X>S+ 0 0 17 -4,-2.4 4,-2.0 1,-0.2 5,-0.6 0.962 110.8 51.4 -61.7 -49.4 7.5 -8.8 12.7 156 88 B M H X5S+ 0 0 4 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.914 120.9 31.3 -50.8 -50.4 7.6 -5.1 11.9 157 89 B M H X5S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.920 122.1 44.5 -82.0 -47.8 3.8 -4.7 11.8 158 90 B E H X5S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.3 5,-0.2 0.909 114.7 47.0 -69.5 -39.8 2.6 -7.4 14.3 159 91 B V H X5S+ 0 0 13 -4,-2.0 4,-2.7 -5,-0.5 5,-0.2 0.922 110.8 53.9 -69.6 -39.4 5.2 -6.6 17.1 160 92 B F H X S+ 0 0 11 -4,-0.4 4,-3.0 -3,-0.4 5,-0.2 0.842 72.8 47.2 -46.5 -47.7 -1.2 -4.7 24.4 167 99 B D H > S+ 0 0 131 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.901 111.4 50.8 -69.4 -40.6 -3.9 -3.9 26.9 168 100 B K H 4 S+ 0 0 118 -3,-0.4 4,-0.4 2,-0.2 -1,-0.2 0.916 114.0 45.3 -59.1 -46.1 -6.6 -3.7 24.2 169 101 B I H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 6,-0.3 0.952 111.7 52.1 -59.3 -47.4 -5.5 -7.1 22.9 170 102 B A H 3< S+ 0 0 27 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.800 113.4 44.4 -62.0 -32.4 -5.3 -8.6 26.3 171 103 B G T 3< S+ 0 0 66 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.399 87.9 117.1 -94.8 2.5 -8.9 -7.5 27.2 172 104 B S <> - 0 0 14 -3,-1.6 4,-1.1 -4,-0.4 -3,-0.0 -0.397 62.2-141.7 -79.4 145.7 -10.5 -8.5 23.9 173 105 B E H > S+ 0 0 157 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.849 102.7 63.3 -69.1 -33.0 -13.3 -11.1 23.7 174 106 B E H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.902 98.9 54.4 -56.4 -43.6 -11.7 -12.3 20.4 175 107 B L H > S+ 0 0 0 -6,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.924 109.1 47.1 -60.0 -42.8 -8.6 -13.3 22.2 176 108 B L H X S+ 0 0 97 -4,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.861 110.5 52.0 -69.0 -33.3 -10.5 -15.4 24.7 177 109 B E H X S+ 0 0 106 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.924 111.3 47.5 -66.2 -43.2 -12.5 -17.1 21.9 178 110 B I H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.923 109.9 53.4 -62.6 -44.3 -9.2 -17.9 20.0 179 111 B K H X S+ 0 0 62 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.883 108.1 50.2 -56.8 -41.7 -7.8 -19.3 23.3 180 112 B G H X S+ 0 0 42 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.859 106.9 54.6 -64.3 -38.3 -10.8 -21.5 23.6 181 113 B E H < S+ 0 0 81 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.865 112.7 43.4 -60.3 -44.4 -10.3 -22.8 20.0 182 114 B I H < S+ 0 0 9 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.889 108.0 57.0 -72.0 -39.1 -6.8 -23.7 20.8 183 115 B D H < S+ 0 0 66 -4,-2.3 2,-1.7 -5,-0.2 -1,-0.2 0.681 86.6 85.3 -70.5 -12.9 -7.5 -25.3 24.1 184 116 B D < 0 0 133 -4,-0.9 -1,-0.2 1,-0.2 -4,-0.0 -0.460 360.0 360.0 -87.1 68.1 -10.0 -27.7 22.4 185 117 B V 0 0 144 -2,-1.7 -1,-0.2 6,-0.0 3,-0.1 0.554 360.0 360.0 -99.8 360.0 -7.5 -30.3 21.5 186 ! 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 0.0 187 121 B A > 0 0 89 0, 0.0 4,-2.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 26.9 -7.2 -32.0 15.3 188 122 B A H > + 0 0 26 1,-0.2 4,-2.5 2,-0.2 -3,-0.0 0.857 360.0 54.2 -48.5 -40.1 -4.2 -29.7 15.2 189 123 B R H > S+ 0 0 137 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.943 109.3 44.5 -61.4 -52.1 -4.9 -28.9 11.5 190 124 B E H > S+ 0 0 158 -3,-0.3 4,-0.6 1,-0.2 5,-0.3 0.896 114.1 51.1 -59.9 -40.9 -8.5 -27.7 12.1 191 125 B I H X S+ 0 0 15 -4,-2.4 4,-1.5 1,-0.1 5,-0.2 0.924 112.2 51.8 -61.5 -42.1 -7.4 -25.8 15.2 192 126 B F H X S+ 0 0 21 -4,-2.5 4,-2.8 -5,-0.3 5,-0.4 0.964 98.1 51.4 -65.5 -65.4 -4.6 -24.1 13.1 193 127 B D H X S+ 0 0 45 -4,-1.8 4,-1.7 1,-0.2 5,-0.3 0.915 120.1 35.5 -38.4 -69.4 -5.9 -22.5 9.9 194 128 B D H X S+ 0 0 73 -4,-0.6 4,-2.4 1,-0.2 5,-0.2 0.936 120.5 45.7 -50.6 -62.0 -8.7 -20.5 11.6 195 129 B S H X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.3 5,-0.2 0.836 109.7 54.1 -57.6 -41.0 -6.9 -19.7 14.9 196 130 B D H X S+ 0 0 4 -4,-2.8 4,-2.2 -5,-0.2 5,-0.3 0.967 112.5 41.4 -62.2 -54.0 -3.6 -18.6 13.3 197 131 B E H X S+ 0 0 62 -4,-1.7 4,-2.5 -5,-0.4 5,-0.3 0.932 116.4 50.3 -61.5 -45.1 -5.2 -16.0 10.9 198 132 B R H X S+ 0 0 50 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.900 111.3 48.2 -58.5 -43.1 -7.6 -14.7 13.6 199 133 B L H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.936 115.2 41.7 -67.3 -47.8 -4.8 -14.3 16.2 200 134 B H H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.891 115.6 50.2 -72.1 -38.5 -2.3 -12.4 14.0 201 135 B K H X S+ 0 0 52 -4,-2.5 4,-3.0 -5,-0.3 -1,-0.2 0.807 105.3 59.5 -64.1 -32.6 -5.1 -10.3 12.4 202 136 B L H X S+ 0 0 5 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.923 101.3 53.2 -62.9 -40.3 -6.4 -9.4 16.0 203 137 B F H X S+ 0 0 0 -4,-1.6 4,-0.5 1,-0.2 -1,-0.2 0.939 114.7 41.6 -58.9 -48.0 -3.0 -7.9 16.9 204 138 B I H >< S+ 0 0 3 -4,-1.3 3,-1.5 1,-0.2 5,-0.5 0.936 113.7 51.3 -64.3 -48.0 -3.2 -5.6 13.8 205 139 B R H >< S+ 0 0 111 -4,-3.0 3,-2.0 1,-0.3 -2,-0.2 0.846 96.9 69.1 -63.7 -32.0 -7.0 -4.8 14.2 206 140 B A H 3< S+ 0 0 2 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.753 87.4 68.1 -62.0 -21.7 -6.4 -3.8 17.9 207 141 B S T << S- 0 0 8 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.762 90.4-147.1 -63.9 -30.2 -4.5 -0.7 16.6 208 142 B G < + 0 0 27 -3,-2.0 2,-0.9 -4,-0.4 -2,-0.1 0.596 53.4 136.9 67.9 11.2 -7.6 0.8 15.2 209 143 B N > - 0 0 0 -5,-0.5 4,-2.6 1,-0.2 -1,-0.2 -0.797 41.7-164.0 -95.3 105.1 -5.4 2.2 12.5 210 144 B E H > S+ 0 0 106 -2,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.807 87.6 54.7 -65.3 -28.0 -7.2 1.6 9.2 211 145 B L H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.941 111.0 44.3 -67.9 -45.7 -4.0 2.3 7.2 212 146 B I H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.928 114.6 50.0 -61.4 -46.8 -2.1 -0.4 9.1 213 147 B I H X S+ 0 0 31 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.900 112.1 48.3 -56.4 -45.1 -5.1 -2.8 8.8 214 148 B S H X S+ 0 0 68 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.898 109.9 50.2 -64.4 -42.6 -5.3 -2.1 5.1 215 149 B L H X S+ 0 0 11 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.888 111.3 49.7 -66.0 -40.0 -1.6 -2.7 4.5 216 150 B Y H X S+ 0 0 3 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.918 110.9 49.5 -65.8 -41.8 -1.8 -6.0 6.4 217 151 B E H >X S+ 0 0 114 -4,-2.3 3,-1.0 1,-0.2 4,-0.5 0.906 107.6 55.7 -60.9 -39.2 -4.8 -7.0 4.3 218 152 B K H 3< S+ 0 0 132 -4,-2.4 3,-0.3 1,-0.3 4,-0.2 0.887 114.1 38.3 -61.8 -37.8 -2.9 -6.1 1.2 219 153 B I H 3X S+ 0 0 7 -4,-1.6 4,-2.5 1,-0.2 3,-0.3 0.401 89.5 98.6 -90.0 -1.7 -0.0 -8.4 2.0 220 154 B W H S+ 0 0 52 -3,-0.3 4,-2.3 -4,-0.2 -1,-0.2 0.924 112.2 49.5 -70.0 -43.5 1.5 -13.3 0.4 223 157 B I H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.929 112.7 48.9 -53.4 -43.0 1.6 -14.1 4.1 224 158 B D H X S+ 0 0 37 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.856 107.4 54.0 -73.7 -36.9 -0.8 -16.9 3.4 225 159 B L H X S+ 0 0 74 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.957 110.8 46.5 -58.0 -51.4 1.3 -18.3 0.6 226 160 B V H >< S+ 0 0 3 -4,-2.3 3,-1.5 1,-0.2 4,-0.5 0.914 109.0 55.4 -60.8 -41.1 4.3 -18.4 2.9 227 161 B R H >< S+ 0 0 33 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.889 106.4 51.6 -54.4 -42.6 2.2 -20.1 5.6 228 162 B H H 3< S+ 0 0 121 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.553 88.9 81.5 -79.4 -4.6 1.2 -22.9 3.3 229 163 B L T << S+ 0 0 29 -3,-1.5 2,-0.4 -4,-0.6 -1,-0.2 0.785 104.5 21.1 -69.0 -27.1 4.9 -23.6 2.2 230 164 B N S < S- 0 0 32 -3,-1.0 2,-0.4 -4,-0.5 -1,-0.2 -0.954 74.0-133.9-151.5 127.5 5.4 -25.7 5.3 231 165 B E + 0 0 118 -2,-0.4 -3,-0.1 -3,-0.2 3,-0.0 -0.669 37.2 150.5 -84.5 125.4 3.1 -27.5 7.7 232 166 B R > + 0 0 27 -2,-0.4 4,-2.6 2,-0.0 5,-0.3 -0.283 15.3 145.0-145.2 46.0 3.9 -26.9 11.3 233 167 B Y H > + 0 0 48 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.920 68.5 45.2 -65.5 -49.0 0.5 -27.2 13.0 234 168 B V H > S+ 0 0 86 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.942 119.1 41.2 -59.4 -49.9 1.3 -28.8 16.3 235 169 B V H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.901 115.7 48.8 -73.7 -37.5 4.2 -26.6 17.1 236 170 B S H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.892 109.8 53.1 -66.3 -36.1 2.7 -23.4 15.9 237 171 B N H X S+ 0 0 14 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.908 109.5 48.8 -65.6 -41.9 -0.5 -24.1 17.9 238 172 B R H X S+ 0 0 131 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.907 109.8 51.1 -62.6 -41.1 1.7 -24.6 21.0 239 173 B E H X S+ 0 0 13 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.928 112.6 47.6 -61.8 -42.9 3.5 -21.3 20.4 240 174 B H H X S+ 0 0 0 -4,-2.5 4,-3.0 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