==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 15-JUL-03 1Q08 . COMPND 2 MOLECULE: ZN(II)-RESPONSIVE REGULATOR OF ZNTA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.CHANGELA,K.CHEN,Y.XUE,J.HOLSCHEN,C.E.OUTTEN, . 183 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 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 . 4 2.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 64.5 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+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 0 2 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 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 43 A S > 0 0 106 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-179.3 56.1 3.4 73.3 2 44 A D H > + 0 0 123 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.886 360.0 49.5 -73.2 -39.1 57.4 5.5 70.4 3 45 A L H > S+ 0 0 139 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.891 110.6 49.7 -66.2 -40.9 57.0 2.6 68.0 4 46 A Q H > S+ 0 0 51 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.883 108.9 52.0 -66.9 -39.2 53.4 2.0 69.2 5 47 A R H X S+ 0 0 109 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.928 111.2 47.2 -63.0 -43.8 52.5 5.7 68.8 6 48 A L H X S+ 0 0 76 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.869 110.3 53.6 -64.4 -36.1 53.8 5.7 65.2 7 49 A K H X S+ 0 0 96 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.924 108.6 49.4 -63.1 -44.5 51.9 2.4 64.6 8 50 A F H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.943 114.5 44.1 -58.7 -51.2 48.7 4.1 65.8 9 51 A I H X S+ 0 0 42 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.916 111.5 54.5 -61.7 -44.4 49.3 7.1 63.6 10 52 A R H X S+ 0 0 140 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.913 108.0 48.9 -55.9 -47.5 50.3 4.9 60.6 11 53 A H H X S+ 0 0 33 -4,-2.5 4,-0.9 170,-0.3 -1,-0.2 0.896 112.0 48.7 -62.2 -40.2 47.0 2.9 60.9 12 54 A A H ><>S+ 0 0 0 -4,-1.9 5,-1.7 1,-0.2 3,-0.5 0.900 111.4 49.7 -67.1 -40.1 45.0 6.1 61.0 13 55 A R H ><5S+ 0 0 162 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.834 104.1 59.8 -68.0 -30.5 46.8 7.6 58.0 14 56 A Q H 3<5S+ 0 0 131 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.794 103.4 51.8 -67.5 -25.8 46.2 4.3 56.1 15 57 A L T <<5S- 0 0 20 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.418 119.5-113.6 -88.9 -0.2 42.5 4.9 56.5 16 58 A G T < 5 + 0 0 23 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.601 51.4 170.4 81.3 12.8 42.9 8.4 55.1 17 59 A F < - 0 0 9 -5,-1.7 -1,-0.2 1,-0.1 27,-0.0 -0.297 34.6-114.8 -59.2 139.6 42.0 10.4 58.2 18 60 A S > - 0 0 61 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.126 26.3-102.7 -68.7 169.2 42.8 14.1 57.8 19 61 A L H > S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.915 124.8 51.3 -59.8 -41.9 45.4 16.0 59.8 20 62 A E H > S+ 0 0 135 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 111.1 46.5 -61.3 -45.4 42.5 17.4 61.9 21 63 A S H > S+ 0 0 11 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.885 111.3 50.1 -66.9 -40.8 41.0 14.0 62.6 22 64 A I H X S+ 0 0 10 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.907 108.8 53.5 -66.1 -37.5 44.3 12.3 63.5 23 65 A R H X S+ 0 0 152 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.925 111.9 45.4 -60.5 -43.8 45.0 15.2 65.9 24 66 A E H X S+ 0 0 93 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.914 111.6 51.3 -66.0 -43.7 41.7 14.6 67.6 25 67 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.895 110.4 50.1 -60.6 -40.1 42.2 10.8 67.6 26 68 A L H X S+ 0 0 43 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.912 107.5 53.2 -64.6 -42.7 45.6 11.3 69.3 27 69 A S H X S+ 0 0 61 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.908 111.5 46.0 -59.0 -41.7 44.1 13.6 71.9 28 70 A I H < S+ 0 0 4 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.922 107.4 61.1 -65.3 -42.9 41.5 10.9 72.7 29 71 A R H < S+ 0 0 47 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.878 113.2 32.1 -51.7 -48.0 44.3 8.3 72.8 30 72 A I H < S+ 0 0 111 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.585 129.4 36.3 -91.6 -8.8 46.3 9.9 75.6 31 73 A D >< + 0 0 58 -4,-1.2 3,-1.7 -3,-0.4 -1,-0.2 -0.307 66.5 146.3-136.7 53.0 43.3 11.4 77.5 32 74 A P G > + 0 0 19 0, 0.0 3,-1.8 0, 0.0 140,-0.7 0.768 64.4 71.1 -60.4 -28.7 40.6 8.7 77.1 33 75 A E G 3 S+ 0 0 113 1,-0.3 -5,-0.1 139,-0.2 -2,-0.0 0.714 104.1 42.8 -62.6 -20.2 39.2 9.4 80.6 34 76 A H G < S+ 0 0 138 -3,-1.7 2,-0.3 -6,-0.2 -1,-0.3 0.158 109.6 65.5-113.3 19.3 37.9 12.7 79.2 35 77 A H < - 0 0 41 -3,-1.8 137,-2.9 -7,-0.1 138,-0.3 -0.886 65.7-142.7-134.7 166.1 36.6 11.6 75.9 36 78 A T B > -A 171 0A 32 135,-0.3 4,-1.9 -2,-0.3 3,-0.4 -0.797 30.0-108.8-129.9 170.1 33.8 9.3 74.7 37 79 A C H > S+ 0 0 2 133,-2.4 4,-2.9 131,-0.7 5,-0.3 0.780 116.2 64.2 -65.7 -27.2 32.8 6.7 72.1 38 80 A Q H > S+ 0 0 124 130,-1.8 4,-1.7 132,-0.3 -1,-0.2 0.903 104.8 45.1 -63.9 -39.0 30.5 9.3 70.6 39 81 A E H > S+ 0 0 81 -3,-0.4 4,-1.7 129,-0.2 -2,-0.2 0.933 116.5 43.3 -70.1 -47.9 33.6 11.5 69.7 40 82 A S H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.916 115.4 48.9 -65.7 -42.5 35.7 8.7 68.3 41 83 A K H X S+ 0 0 38 -4,-2.9 4,-3.6 1,-0.2 5,-0.2 0.885 107.4 55.9 -65.5 -36.5 32.8 7.2 66.4 42 84 A G H X S+ 0 0 36 -4,-1.7 4,-2.4 -5,-0.3 5,-0.2 0.901 106.9 49.8 -61.3 -40.8 31.9 10.6 65.0 43 85 A I H X S+ 0 0 11 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.936 116.0 42.4 -62.6 -46.6 35.5 10.9 63.6 44 86 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.946 114.7 49.8 -64.8 -49.7 35.3 7.5 62.0 45 87 A Q H X S+ 0 0 72 -4,-3.6 4,-2.6 1,-0.2 -2,-0.2 0.860 108.5 51.6 -60.8 -38.9 31.7 8.0 60.7 46 88 A E H X S+ 0 0 128 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.916 113.2 45.3 -65.1 -41.8 32.4 11.3 59.1 47 89 A R H X S+ 0 0 30 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.905 111.7 53.9 -65.9 -40.9 35.4 9.9 57.3 48 90 A L H X S+ 0 0 8 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.911 108.4 48.6 -59.6 -43.7 33.3 6.9 56.3 49 91 A Q H X S+ 0 0 108 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.876 111.2 49.6 -66.4 -37.8 30.6 9.1 54.8 50 92 A E H X S+ 0 0 122 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.898 111.9 48.9 -67.3 -40.0 33.2 11.0 52.8 51 93 A V H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.929 112.2 47.3 -65.2 -45.7 34.8 7.8 51.5 52 94 A E H X S+ 0 0 77 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.880 111.3 52.2 -63.9 -37.2 31.4 6.3 50.5 53 95 A A H X S+ 0 0 48 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.924 110.6 47.3 -65.1 -43.3 30.5 9.6 48.8 54 96 A R H X S+ 0 0 99 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.890 110.6 52.2 -65.4 -39.5 33.7 9.6 46.8 55 97 A I H X S+ 0 0 12 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.936 109.8 48.9 -61.8 -45.6 33.3 6.0 45.8 56 98 A A H X S+ 0 0 52 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.891 110.5 51.2 -61.9 -39.4 29.8 6.7 44.5 57 99 A E H X S+ 0 0 106 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.948 113.3 44.9 -62.0 -47.9 31.1 9.7 42.6 58 100 A L H X S+ 0 0 3 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.878 109.3 55.6 -64.0 -39.4 33.8 7.5 41.0 59 101 A Q H X S+ 0 0 66 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.855 103.9 54.9 -64.0 -33.3 31.4 4.7 40.3 60 102 A S H X S+ 0 0 57 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.937 112.1 43.1 -63.8 -45.3 29.1 7.1 38.3 61 103 A M H X S+ 0 0 23 -4,-1.6 4,-2.9 1,-0.2 5,-0.3 0.910 111.2 56.4 -64.6 -41.5 32.1 8.0 36.2 62 104 A Q H X S+ 0 0 37 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.902 106.6 49.1 -56.7 -45.2 33.1 4.3 36.0 63 105 A R H X S+ 0 0 116 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.894 113.2 46.2 -64.1 -40.5 29.7 3.4 34.6 64 106 A S H X S+ 0 0 8 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.916 114.1 47.5 -68.3 -43.3 29.8 6.2 31.9 65 107 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.884 110.5 53.3 -64.5 -38.7 33.3 5.3 30.9 66 108 A Q H X S+ 0 0 59 -4,-2.5 4,-2.9 -5,-0.3 -1,-0.2 0.909 108.7 48.9 -62.4 -43.8 32.4 1.6 30.7 67 109 A R H X S+ 0 0 112 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.894 111.0 50.4 -63.7 -39.6 29.5 2.4 28.4 68 110 A L H X S+ 0 0 2 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.938 113.7 46.1 -62.2 -47.2 31.8 4.5 26.2 69 111 A N H >< S+ 0 0 16 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.943 109.6 52.6 -59.3 -53.4 34.3 1.7 26.1 70 112 A D H 3< S+ 0 0 104 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.763 105.8 53.1 -58.7 -30.8 31.8 -1.1 25.3 71 113 A A H 3< S+ 0 0 71 -4,-1.4 2,-0.4 -3,-0.2 -1,-0.2 0.681 94.7 84.1 -80.6 -17.6 30.2 0.6 22.3 72 114 A C << - 0 0 5 -3,-1.1 10,-0.1 -4,-0.7 -4,-0.0 -0.704 68.3-147.4 -92.7 136.6 33.5 1.2 20.5 73 115 A C - 0 0 63 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.776 26.6-146.3 -69.4 -26.6 35.1 -1.5 18.4 74 116 A G + 0 0 18 1,-0.2 2,-0.1 3,-0.1 -1,-0.1 0.736 55.8 111.0 67.3 26.1 38.6 -0.2 19.3 75 117 A T S S- 0 0 71 3,-0.1 56,-1.9 56,-0.0 55,-0.6 -0.435 91.1 -72.0-117.8-168.1 40.2 -1.0 16.0 76 118 A A S S+ 0 0 77 54,-0.2 3,-0.1 53,-0.2 -2,-0.0 0.565 83.4 135.3 -63.4 -7.9 41.6 0.7 12.9 77 119 A H S S- 0 0 87 1,-0.1 53,-2.3 52,-0.1 54,-0.3 -0.141 71.1 -96.5 -41.6 129.8 38.0 1.6 12.1 78 120 A S B > -B 129 0B 38 51,-0.2 3,-1.9 1,-0.2 51,-0.3 -0.274 23.0-132.7 -56.8 136.4 38.0 5.3 11.1 79 121 A S G > S+ 0 0 2 49,-2.6 3,-1.2 46,-0.7 47,-0.2 0.613 97.2 86.1 -67.6 -9.8 37.1 7.7 13.9 80 122 A V G 3 S+ 0 0 60 45,-0.5 -1,-0.3 48,-0.3 46,-0.1 0.750 100.3 38.3 -60.9 -17.6 34.7 9.4 11.6 81 123 A Y G < S+ 0 0 151 -3,-1.9 -1,-0.3 44,-0.2 -2,-0.2 0.400 87.0 136.4-109.7 -2.4 32.4 6.7 12.8 82 124 A C <> - 0 0 2 -3,-1.2 4,-1.5 -4,-0.2 3,-0.2 -0.281 42.8-157.7 -59.8 124.1 33.5 6.5 16.5 83 125 A S H > S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.729 90.2 65.2 -69.4 -26.0 30.7 6.3 19.0 84 126 A I H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.946 104.1 45.1 -64.0 -46.1 32.9 7.7 21.8 85 127 A L H > S+ 0 0 16 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.912 112.8 51.2 -63.2 -43.5 33.1 11.0 20.0 86 128 A E H X S+ 0 0 114 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.926 111.2 48.4 -58.7 -46.6 29.4 11.0 19.3 87 129 A A H X S+ 0 0 21 -4,-2.6 4,-3.3 1,-0.2 3,-0.3 0.913 111.1 48.3 -61.5 -46.8 28.6 10.3 22.9 88 130 A L H < S+ 0 0 1 -4,-2.4 16,-0.3 1,-0.2 -1,-0.2 0.750 106.7 58.2 -67.9 -23.1 30.9 13.0 24.3 89 131 A E H < S+ 0 0 38 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.864 116.2 35.4 -72.7 -34.7 29.4 15.5 21.8 90 132 A Q H < S- 0 0 138 -4,-1.4 2,-0.3 -3,-0.3 -2,-0.2 0.876 127.5 -56.0 -86.2 -44.0 26.0 14.8 23.4 91 133 A G < - 0 0 16 -4,-3.3 -1,-0.2 -5,-0.1 3,-0.1 -0.897 46.9 -86.8-171.5-158.7 26.8 14.3 27.1 92 134 A A S S+ 0 0 17 -2,-0.3 -4,-0.1 1,-0.1 -28,-0.1 0.144 90.0 97.6-122.0 17.2 28.8 12.4 29.7 93 135 A S 0 0 84 -6,-0.2 -26,-0.2 1,-0.1 -1,-0.1 0.660 360.0 360.0 -78.9 -16.7 26.4 9.5 30.3 94 136 A G 0 0 27 -7,-0.2 -1,-0.1 -27,-0.1 -7,-0.1 -0.247 360.0 360.0 84.5 360.0 28.5 7.4 27.9 95 !* 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 96 45 B L > 0 0 170 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -28.4 29.9 26.4 21.7 97 46 B Q H > + 0 0 75 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.879 360.0 55.1 -63.9 -39.7 30.1 22.7 20.8 98 47 B R H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.899 110.1 47.4 -60.9 -39.3 33.9 22.5 21.5 99 48 B L H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.842 110.8 51.2 -70.2 -34.1 33.2 23.8 25.0 100 49 B K H X S+ 0 0 62 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.921 109.7 50.2 -68.0 -44.0 30.3 21.4 25.5 101 50 B F H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.923 112.3 47.5 -58.5 -47.1 32.5 18.5 24.4 102 51 B I H X S+ 0 0 15 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.909 108.8 54.3 -62.3 -42.7 35.2 19.6 26.9 103 52 B R H X S+ 0 0 125 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.934 109.8 47.4 -56.7 -47.8 32.7 20.0 29.7 104 53 B H H X S+ 0 0 9 -4,-2.4 4,-0.9 -16,-0.3 -1,-0.2 0.919 111.8 49.8 -60.9 -44.7 31.5 16.4 29.2 105 54 B A H ><>S+ 0 0 0 -4,-2.4 5,-1.8 1,-0.2 3,-0.8 0.910 110.1 51.5 -61.7 -41.1 35.0 15.1 29.1 106 55 B R H ><5S+ 0 0 169 -4,-2.9 3,-1.8 1,-0.2 -1,-0.2 0.866 101.2 61.3 -63.7 -36.2 35.8 17.0 32.3 107 56 B Q H 3<5S+ 0 0 105 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.788 104.8 49.5 -60.8 -27.6 32.8 15.5 34.0 108 57 B L T <<5S- 0 0 5 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.379 119.5-112.0 -92.5 2.4 34.4 12.1 33.5 109 58 B G T < 5 + 0 0 28 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.645 53.4 168.4 79.4 15.2 37.7 13.2 34.9 110 59 B F < - 0 0 11 -5,-1.8 -1,-0.2 1,-0.1 27,-0.0 -0.347 36.4-114.8 -62.1 142.5 39.7 13.1 31.7 111 60 B S > - 0 0 45 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.233 24.8-106.8 -71.8 166.2 43.1 14.8 32.1 112 61 B L H > S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.907 123.6 52.6 -60.1 -40.0 44.0 17.9 30.1 113 62 B E H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 109.7 46.4 -61.6 -46.5 46.3 15.7 28.1 114 63 B S H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.905 112.4 50.5 -64.2 -41.9 43.5 13.2 27.3 115 64 B I H X S+ 0 0 10 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.902 108.7 53.0 -62.7 -40.2 41.1 16.0 26.4 116 65 B R H X S+ 0 0 138 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.904 111.2 46.1 -61.2 -41.5 43.7 17.5 24.1 117 66 B E H X S+ 0 0 94 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.902 112.1 50.8 -68.1 -41.1 44.1 14.1 22.4 118 67 B L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.866 108.7 52.0 -64.5 -36.6 40.3 13.7 22.1 119 68 B L H X S+ 0 0 34 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.860 107.5 51.8 -68.6 -35.7 39.9 17.1 20.6 120 69 B S H X S+ 0 0 56 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.877 112.2 45.9 -68.0 -38.4 42.5 16.4 18.0 121 70 B I H < S+ 0 0 3 -4,-1.8 -2,-0.2 2,-0.2 6,-0.2 0.943 112.7 52.0 -66.6 -46.9 40.7 13.2 17.0 122 71 B R H < S+ 0 0 53 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.867 114.3 41.3 -56.4 -42.4 37.4 15.1 17.1 123 72 B I H < S+ 0 0 130 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.738 129.1 27.9 -81.8 -24.4 38.7 17.9 14.7 124 73 B D S >< S+ 0 0 64 -4,-1.6 3,-1.8 -5,-0.2 -1,-0.2 -0.403 70.8 153.2-134.5 57.3 40.6 15.6 12.3 125 74 B P G > + 0 0 33 0, 0.0 3,-1.9 0, 0.0 -46,-0.7 0.780 64.8 69.9 -58.1 -31.6 38.6 12.3 12.5 126 75 B E G 3 S+ 0 0 154 1,-0.3 -5,-0.1 -47,-0.2 -48,-0.0 0.656 103.7 44.7 -64.9 -12.3 39.6 11.1 9.0 127 76 B H G < S+ 0 0 136 -3,-1.8 2,-0.3 -6,-0.2 -1,-0.3 0.152 109.3 63.4-116.6 18.5 43.2 10.7 10.3 128 77 B H < - 0 0 40 -3,-1.9 -49,-2.6 -7,-0.1 -48,-0.3 -0.887 66.9-140.0-136.1 167.2 42.4 8.9 13.6 129 78 B T B >> -B 78 0B 33 -2,-0.3 4,-1.6 -51,-0.3 3,-0.5 -0.794 29.2-109.3-128.8 169.7 40.9 5.6 14.6 130 79 B C H 3> S+ 0 0 3 -53,-2.3 4,-3.0 -55,-0.6 5,-0.3 0.820 115.6 64.8 -64.2 -30.9 38.6 4.0 17.2 131 80 B Q H 3> S+ 0 0 125 -56,-1.9 4,-1.7 -54,-0.3 -1,-0.2 0.885 102.7 48.2 -60.2 -38.1 41.6 2.3 18.7 132 81 B E H <> S+ 0 0 81 -3,-0.5 4,-1.6 -57,-0.2 -2,-0.2 0.947 114.6 42.9 -68.1 -49.6 43.0 5.7 19.6 133 82 B S H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.901 114.8 49.7 -65.5 -40.9 39.8 7.0 21.2 134 83 B K H X S+ 0 0 39 -4,-3.0 4,-3.1 1,-0.2 -1,-0.2 0.873 107.5 55.4 -66.8 -35.3 39.0 3.7 23.0 135 84 B G H X S+ 0 0 32 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.901 107.0 49.4 -63.2 -40.2 42.6 3.6 24.4 136 85 B I H X S+ 0 0 9 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.919 112.8 48.2 -64.8 -41.9 42.1 7.1 25.9 137 86 B V H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.932 111.2 49.6 -63.8 -46.3 38.8 5.9 27.5 138 87 B Q H X S+ 0 0 78 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.855 106.7 55.3 -63.0 -35.5 40.3 2.7 28.9 139 88 B E H X S+ 0 0 122 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.920 113.5 41.2 -63.5 -42.7 43.3 4.6 30.4 140 89 B R H X S+ 0 0 24 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.918 113.5 53.5 -70.7 -44.0 40.9 6.8 32.3 141 90 B L H X S+ 0 0 10 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.910 109.5 48.3 -57.5 -44.8 38.5 3.9 33.2 142 91 B Q H X S+ 0 0 127 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.852 109.8 52.4 -66.4 -33.0 41.4 1.9 34.7 143 92 B E H X S+ 0 0 116 -4,-1.4 4,-1.9 -5,-0.2 -2,-0.2 0.922 111.1 47.7 -67.0 -42.7 42.5 4.9 36.7 144 93 B V H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.915 111.4 49.5 -64.1 -44.0 39.0 5.3 38.1 145 94 B E H X S+ 0 0 75 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.858 108.3 54.3 -65.6 -34.3 38.7 1.6 38.9 146 95 B A H X S+ 0 0 51 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.913 110.3 45.9 -65.7 -41.9 42.0 1.7 40.7 147 96 B R H X S+ 0 0 100 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.869 110.0 54.1 -69.6 -35.7 40.9 4.6 42.9 148 97 B I H X S+ 0 0 13 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.939 108.7 49.7 -62.0 -45.7 37.6 2.9 43.6 149 98 B A H X S+ 0 0 50 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.887 110.2 49.8 -60.4 -41.3 39.4 -0.2 44.8 150 99 B E H X S+ 0 0 106 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.908 114.2 45.4 -65.6 -41.3 41.7 1.8 47.1 151 100 B L H X S+ 0 0 4 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.874 108.1 55.5 -70.2 -39.1 38.7 3.6 48.6 152 101 B Q H X S+ 0 0 67 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.859 103.6 56.3 -63.3 -33.5 36.6 0.5 49.1 153 102 B S H X S+ 0 0 61 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.2 0.940 111.7 42.6 -62.4 -45.0 39.5 -1.1 51.1 154 103 B M H X S+ 0 0 29 -4,-1.3 4,-2.9 1,-0.2 5,-0.2 0.906 111.7 55.9 -65.9 -41.6 39.3 2.0 53.4 155 104 B Q H X S+ 0 0 39 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.903 105.7 50.4 -57.3 -46.6 35.5 1.8 53.4 156 105 B R H X S+ 0 0 118 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.924 113.9 44.4 -60.3 -45.2 35.4 -1.8 54.6 157 106 B S H X S+ 0 0 39 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.931 114.9 48.0 -65.3 -46.1 37.8 -1.1 57.5 158 107 B L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.887 109.1 54.2 -61.7 -40.1 36.0 2.1 58.5 159 108 B Q H X S+ 0 0 61 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.906 109.0 48.7 -61.0 -41.4 32.7 0.3 58.3 160 109 B R H X S+ 0 0 152 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.891 111.5 48.9 -65.5 -41.4 34.0 -2.3 60.7 161 110 B L H X S+ 0 0 20 -4,-2.2 4,-0.8 2,-0.2 3,-0.2 0.922 113.1 49.1 -62.8 -44.3 35.3 0.4 63.1 162 111 B N H >< S+ 0 0 15 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.944 108.9 50.9 -59.4 -53.3 32.0 2.1 63.0 163 112 B D H 3< S+ 0 0 103 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.727 106.5 53.2 -61.1 -27.6 29.9 -1.0 63.7 164 113 B A H 3< S+ 0 0 71 -4,-1.3 2,-0.3 -3,-0.2 -1,-0.2 0.693 93.1 84.5 -84.2 -18.4 31.7 -2.1 66.8 165 114 B C << - 0 0 6 -3,-0.9 10,-0.1 -4,-0.8 -4,-0.0 -0.682 68.0-146.6 -91.0 136.5 31.5 1.2 68.6 166 115 B C - 0 0 65 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.763 26.3-147.7 -68.7 -26.0 28.4 2.1 70.7 167 116 B G + 0 0 20 1,-0.2 2,-0.1 -130,-0.1 -1,-0.1 0.741 55.1 111.4 64.9 26.7 28.9 5.8 69.8 168 117 B T S S- 0 0 70 3,-0.0 -130,-1.8 -130,-0.0 -131,-0.7 -0.408 91.4 -70.1-117.0-167.3 27.6 7.1 73.1 169 118 B A S S+ 0 0 76 -132,-0.2 3,-0.1 -133,-0.2 -2,-0.0 0.595 84.1 135.4 -61.8 -10.4 28.8 8.9 76.3 170 119 B H S S- 0 0 87 1,-0.1 -133,-2.4 -134,-0.1 -132,-0.3 -0.121 70.6 -98.0 -40.3 128.3 30.6 5.6 77.0 171 120 B S B > -A 36 0A 37 -135,-0.2 3,-2.3 1,-0.2 -135,-0.3 -0.293 22.1-130.9 -57.7 132.5 34.1 6.5 78.2 172 121 B S G > S+ 0 0 2 -137,-2.9 3,-1.0 -140,-0.7 -139,-0.2 0.545 97.6 87.7 -63.5 -4.6 36.7 6.2 75.4 173 122 B V G 3 S+ 0 0 68 -141,-0.5 -1,-0.3 -138,-0.3 -140,-0.1 0.832 98.9 36.6 -61.2 -28.0 38.8 4.3 77.9 174 123 B Y G < S+ 0 0 152 -3,-2.3 -1,-0.3 -142,-0.1 -2,-0.2 0.336 87.6 137.8-105.4 4.9 36.8 1.3 76.5 175 124 B C <> - 0 0 2 -3,-1.0 4,-1.5 -4,-0.2 3,-0.1 -0.334 43.6-155.9 -63.9 126.7 36.5 2.3 72.9 176 125 B S H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.713 91.6 64.7 -69.8 -24.5 37.1 -0.4 70.3 177 126 B I H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.945 104.3 44.3 -65.0 -48.5 38.1 2.2 67.7 178 127 B L H > S+ 0 0 15 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.890 113.3 52.0 -63.1 -39.8 41.2 3.2 69.6 179 128 B E H X S+ 0 0 116 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.930 110.3 48.2 -62.1 -46.0 42.0 -0.5 70.3 180 129 B A H X S+ 0 0 39 -4,-2.5 4,-3.8 1,-0.2 -2,-0.2 0.896 109.4 52.6 -61.9 -41.8 41.7 -1.3 66.6 181 130 B L H < S+ 0 0 4 -4,-2.3 -170,-0.3 1,-0.2 -1,-0.2 0.820 107.1 52.8 -65.2 -30.2 43.9 1.6 65.7 182 131 B E H < S+ 0 0 41 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.881 119.1 36.0 -71.3 -36.3 46.6 0.4 68.1 183 132 B Q H < 0 0 153 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.2 0.904 360.0 360.0 -83.9 -46.6 46.5 -3.1 66.5 184 133 B G < 0 0 81 -4,-3.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.311 360.0 360.0 72.8 360.0 46.0 -2.3 62.8