==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN/TOXIN 18-FEB-11 3QRX . COMPND 2 MOLECULE: CENTRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDOMONAS REINHARDTII; . AUTHOR E.R.SCHREITER . 165 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 69.7 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 . 5 3.0 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 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 53.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 0 3 0 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 . 1 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 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 20 A V 0 0 192 0, 0.0 2,-0.2 0, 0.0 78,-0.1 0.000 360.0 360.0 360.0 -48.1 -0.9 39.2 -5.7 2 21 A G - 0 0 58 1,-0.1 70,-0.0 74,-0.0 2,-0.0 -0.566 360.0 -71.1 -90.9 162.9 -1.5 35.6 -4.5 3 22 A L - 0 0 43 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.339 50.2-129.6 -55.8 136.0 -1.4 34.8 -0.7 4 23 A T > - 0 0 63 1,-0.1 4,-2.0 -3,-0.1 5,-0.1 -0.321 20.5-114.3 -68.8 164.5 2.1 35.0 0.8 5 24 A E H > S+ 0 0 135 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.865 119.3 56.1 -71.0 -40.1 3.3 32.1 2.9 6 25 A E H > S+ 0 0 146 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 109.2 45.2 -57.3 -46.2 3.3 34.4 5.9 7 26 A Q H > S+ 0 0 50 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.917 107.7 57.4 -62.7 -41.4 -0.4 35.2 5.3 8 27 A K H X S+ 0 0 102 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.918 111.8 43.3 -54.7 -43.2 -1.2 31.5 4.8 9 28 A Q H X S+ 0 0 95 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.855 110.5 54.2 -75.8 -37.9 0.2 30.8 8.3 10 29 A E H X S+ 0 0 119 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.887 108.8 49.7 -59.7 -40.5 -1.5 33.8 9.9 11 30 A I H X S+ 0 0 3 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.881 110.4 51.1 -66.6 -34.7 -4.8 32.6 8.6 12 31 A R H X S+ 0 0 82 -4,-1.6 4,-2.7 -5,-0.3 -2,-0.2 0.947 111.3 45.7 -63.1 -51.5 -4.2 29.2 10.0 13 32 A E H X S+ 0 0 105 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.892 113.2 50.5 -63.5 -40.6 -3.3 30.5 13.4 14 33 A A H X S+ 0 0 31 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.933 111.7 50.6 -61.4 -41.1 -6.4 32.8 13.3 15 34 A F H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.937 110.0 46.7 -55.3 -51.9 -8.3 29.7 12.3 16 35 A D H < S+ 0 0 80 -4,-2.7 6,-0.3 1,-0.2 -1,-0.2 0.844 111.4 53.8 -65.9 -36.6 -7.0 27.6 15.2 17 36 A L H < S+ 0 0 133 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.936 111.0 44.3 -56.3 -51.6 -7.7 30.6 17.6 18 37 A F H < S+ 0 0 23 -4,-2.6 2,-1.9 1,-0.2 -2,-0.2 0.895 102.4 70.4 -64.1 -46.7 -11.4 30.8 16.4 19 38 A D >< + 0 0 7 -4,-2.7 3,-1.5 -5,-0.2 -1,-0.2 -0.516 66.9 171.6 -62.8 74.4 -11.7 27.0 16.6 20 39 A T T 3 S+ 0 0 102 -2,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.764 73.2 46.9 -68.5 -28.5 -11.5 26.9 20.5 21 40 A D T 3 S- 0 0 97 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.400 106.9-122.6 -88.2 3.0 -12.4 23.2 20.9 22 41 A G < + 0 0 59 -3,-1.5 -2,-0.1 -6,-0.3 4,-0.1 0.705 63.8 144.6 63.3 18.6 -9.9 22.1 18.2 23 42 A S - 0 0 65 2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.736 67.2-116.2 -58.6 -24.1 -12.8 20.4 16.2 24 43 A G S S+ 0 0 33 1,-0.3 40,-0.7 -9,-0.1 2,-0.3 0.353 92.0 73.6 96.2 -3.4 -11.3 21.3 12.8 25 44 A T E S-A 63 0A 44 38,-0.2 2,-0.6 39,-0.1 -2,-0.3 -0.982 77.5-128.9-146.6 144.5 -14.4 23.5 12.2 26 45 A I E -A 62 0A 1 36,-2.5 36,-2.2 -2,-0.3 2,-0.2 -0.903 29.1-158.8-101.5 122.9 -15.7 26.8 13.4 27 46 A D > - 0 0 48 -2,-0.6 4,-2.6 34,-0.2 5,-0.2 -0.456 32.8 -97.9 -97.6 175.3 -19.2 26.6 14.6 28 47 A A H > S+ 0 0 43 32,-0.4 4,-1.1 1,-0.2 5,-0.1 0.860 123.2 51.9 -61.6 -39.1 -21.7 29.4 15.0 29 48 A K H > S+ 0 0 164 2,-0.2 4,-1.7 1,-0.2 3,-0.5 0.926 111.1 47.2 -63.6 -47.1 -21.0 29.8 18.7 30 49 A E H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.890 107.6 58.7 -63.2 -34.3 -17.2 30.1 18.2 31 50 A L H X S+ 0 0 9 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.836 105.9 46.6 -64.3 -31.7 -17.7 32.6 15.3 32 51 A K H X S+ 0 0 39 -4,-1.1 4,-2.5 -3,-0.5 -1,-0.2 0.915 111.4 50.5 -82.3 -38.2 -19.6 35.1 17.6 33 52 A V H X S+ 0 0 85 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.868 115.2 45.3 -64.1 -33.8 -17.0 34.8 20.4 34 53 A A H X S+ 0 0 10 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.856 109.9 53.0 -73.0 -39.3 -14.3 35.5 17.7 35 54 A M H < S+ 0 0 24 -4,-2.1 5,-0.4 -5,-0.2 3,-0.3 0.925 109.0 50.8 -67.2 -36.4 -16.3 38.4 16.1 36 55 A R H >< S+ 0 0 115 -4,-2.5 3,-2.3 1,-0.2 -2,-0.2 0.969 107.0 51.6 -60.3 -53.6 -16.6 40.1 19.5 37 56 A A H 3< S+ 0 0 90 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.751 102.1 62.7 -56.0 -22.4 -12.8 39.9 20.2 38 57 A L T 3< S- 0 0 107 -4,-1.1 2,-0.9 -3,-0.3 -1,-0.3 0.182 130.7-101.3 -83.9 17.4 -12.4 41.5 16.8 39 58 A G S < S+ 0 0 65 -3,-2.3 -3,-0.1 1,-0.3 -4,-0.1 -0.406 88.7 121.6 95.9 -56.1 -14.2 44.4 18.3 40 59 A F - 0 0 114 -2,-0.9 -1,-0.3 -5,-0.4 -2,-0.0 0.379 46.8-162.8 -25.4 162.9 -17.5 43.5 16.7 41 60 A E - 0 0 160 -3,-0.1 -1,-0.1 -4,-0.0 -5,-0.1 -0.280 29.8-175.7-152.9 55.6 -20.7 42.8 18.7 42 61 A P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 -6,-0.1 0.030 22.2-113.2 -73.9 168.0 -22.8 41.0 16.1 43 62 A K >> - 0 0 148 1,-0.1 4,-1.9 4,-0.0 3,-1.9 -0.718 24.6-115.8-102.2 145.6 -26.3 39.7 16.1 44 63 A K H 3> S+ 0 0 166 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.854 116.1 56.1 -43.0 -50.5 -27.4 36.0 15.9 45 64 A E H 3> S+ 0 0 170 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.787 109.6 46.6 -54.7 -33.8 -29.1 36.6 12.5 46 65 A E H <> S+ 0 0 78 -3,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.903 109.3 52.5 -77.1 -48.3 -25.7 37.9 11.1 47 66 A I H X S+ 0 0 6 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.919 110.2 50.1 -46.0 -54.4 -23.6 35.1 12.5 48 67 A K H X S+ 0 0 146 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.923 111.9 46.9 -51.8 -51.8 -26.1 32.7 10.8 49 68 A K H X S+ 0 0 142 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.863 110.7 52.0 -64.9 -38.9 -25.7 34.5 7.5 50 69 A M H X S+ 0 0 35 -4,-3.0 4,-2.6 2,-0.2 3,-0.4 0.986 110.3 50.4 -53.7 -55.1 -21.9 34.6 7.8 51 70 A I H X S+ 0 0 10 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.900 109.9 49.0 -52.0 -50.0 -22.0 30.9 8.4 52 71 A S H < S+ 0 0 88 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.841 112.9 47.0 -65.1 -36.6 -24.2 30.3 5.4 53 72 A E H < S+ 0 0 126 -4,-2.2 -1,-0.2 -3,-0.4 -2,-0.2 0.917 116.9 40.5 -65.4 -50.2 -22.0 32.4 3.0 54 73 A I H < S+ 0 0 20 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.892 99.3 87.9 -71.5 -35.4 -18.6 30.9 4.1 55 74 A D < + 0 0 22 -4,-2.4 7,-0.1 -5,-0.4 0, 0.0 -0.387 45.2 169.7 -64.9 133.3 -19.9 27.2 4.3 56 75 A K S S+ 0 0 146 -2,-0.1 -1,-0.1 0, 0.0 6,-0.1 0.541 70.3 49.7-119.7 -15.4 -19.8 25.4 1.0 57 76 A D S S- 0 0 94 4,-0.3 -2,-0.1 0, 0.0 9,-0.0 0.151 105.7-110.2-114.9 17.0 -20.6 21.7 2.0 58 77 A G S S+ 0 0 68 -6,-0.1 -3,-0.0 1,-0.1 -6,-0.0 0.481 80.5 125.8 66.9 11.2 -23.7 22.2 4.0 59 78 A S S S- 0 0 62 2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.713 70.9-131.5 -72.7 -13.5 -22.1 21.3 7.3 60 79 A G S S+ 0 0 36 1,-0.3 -32,-0.4 -9,-0.1 2,-0.3 0.741 80.8 88.4 62.1 23.4 -23.3 24.6 8.9 61 80 A T S S- 0 0 31 -34,-0.1 2,-0.6 -10,-0.1 -1,-0.3 -0.950 79.4-117.4-143.0 163.7 -19.7 25.0 10.1 62 81 A I E -A 26 0A 1 -36,-2.2 -36,-2.5 -2,-0.3 2,-0.1 -0.909 25.4-166.0-110.5 114.6 -16.5 26.4 8.6 63 82 A D E > -A 25 0A 30 -2,-0.6 4,-2.1 -38,-0.3 5,-0.2 -0.379 41.0 -94.3 -88.2 175.5 -13.5 24.1 8.0 64 83 A F H > S+ 0 0 49 -40,-0.7 4,-2.9 1,-0.2 5,-0.2 0.918 124.3 50.6 -56.5 -45.7 -10.0 25.4 7.3 65 84 A E H > S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 110.8 48.9 -64.1 -37.4 -10.4 25.3 3.5 66 85 A E H > S+ 0 0 6 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.886 114.2 47.3 -69.5 -32.7 -13.7 27.2 3.6 67 86 A F H X S+ 0 0 8 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.896 111.1 49.7 -70.7 -46.6 -12.0 29.8 5.9 68 87 A L H X S+ 0 0 49 -4,-2.9 4,-3.5 2,-0.2 -2,-0.2 0.902 109.3 52.0 -58.1 -50.9 -8.9 30.1 3.7 69 88 A T H X S+ 0 0 86 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.922 114.1 45.1 -54.8 -43.3 -11.1 30.6 0.6 70 89 A M H X S+ 0 0 40 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.958 114.4 46.0 -67.0 -49.0 -12.9 33.4 2.4 71 90 A M H X S+ 0 0 41 -4,-3.0 4,-2.5 1,-0.2 5,-0.4 0.922 110.0 56.4 -62.3 -38.5 -9.8 35.0 3.8 72 91 A T H X S+ 0 0 58 -4,-3.5 4,-1.9 1,-0.2 -1,-0.2 0.942 109.3 44.7 -53.8 -49.6 -8.2 34.8 0.4 73 92 A A H X S+ 0 0 69 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.876 113.1 51.5 -69.9 -33.6 -11.1 36.7 -1.2 74 93 A K H X S+ 0 0 102 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.985 111.4 45.3 -64.7 -58.8 -11.1 39.3 1.7 75 94 A M H X S+ 0 0 24 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.876 111.0 55.9 -48.4 -38.5 -7.4 40.1 1.4 76 95 A G H X S+ 0 0 37 -4,-1.9 4,-2.2 -5,-0.4 3,-0.3 0.965 110.6 43.9 -58.8 -54.3 -7.8 40.2 -2.4 77 96 A E H X S+ 0 0 123 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.891 111.2 54.2 -49.9 -49.0 -10.5 42.9 -1.9 78 97 A R H X S+ 0 0 134 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.840 110.7 46.5 -63.4 -32.3 -8.4 44.7 0.7 79 98 A D H X S+ 0 0 51 -4,-2.0 4,-1.5 -3,-0.3 -1,-0.2 0.843 108.5 52.6 -82.8 -36.4 -5.4 44.9 -1.8 80 99 A S H X S+ 0 0 68 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.903 111.1 50.7 -59.5 -42.6 -7.5 46.0 -4.8 81 100 A R H X S+ 0 0 114 -4,-2.3 4,-2.6 2,-0.2 3,-0.2 0.982 108.6 49.3 -51.7 -61.1 -8.8 48.8 -2.5 82 101 A E H X S+ 0 0 109 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.789 113.7 49.0 -54.1 -31.9 -5.3 49.9 -1.4 83 102 A E H X S+ 0 0 101 -4,-1.5 4,-0.8 2,-0.2 3,-0.3 0.862 108.5 49.3 -77.6 -42.4 -4.4 50.0 -5.1 84 103 A I H >X S+ 0 0 33 -4,-2.5 4,-1.9 -3,-0.2 3,-0.8 0.926 110.0 56.4 -61.6 -35.2 -7.4 52.1 -6.3 85 104 A L H 3X S+ 0 0 17 -4,-2.6 4,-1.6 1,-0.3 -1,-0.2 0.737 94.1 62.9 -71.9 -28.1 -6.5 54.4 -3.5 86 105 A K H 3< S+ 0 0 155 -4,-0.8 4,-0.3 -3,-0.3 -1,-0.3 0.830 110.6 42.6 -53.7 -37.8 -2.9 55.0 -4.7 87 106 A A H XX S+ 0 0 8 -4,-0.8 4,-1.8 -3,-0.8 3,-1.6 0.861 105.5 62.3 -77.7 -40.6 -4.6 56.5 -7.8 88 107 A F H 3X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.3 -2,-0.2 0.896 101.4 54.2 -47.7 -44.7 -7.2 58.4 -5.7 89 108 A R H 3< S+ 0 0 128 -4,-1.6 -1,-0.3 1,-0.3 6,-0.2 0.629 100.1 58.8 -73.4 -20.4 -4.4 60.3 -4.2 90 109 A L H <4 S+ 0 0 105 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.905 112.6 40.9 -66.3 -45.3 -3.1 61.3 -7.6 91 110 A F H < S+ 0 0 31 -4,-1.8 2,-2.1 1,-0.2 -2,-0.2 0.710 95.3 79.8 -78.7 -26.8 -6.5 62.9 -8.2 92 111 A D >< + 0 0 5 -4,-1.9 3,-2.6 -5,-0.2 -1,-0.2 -0.572 69.0 178.9 -70.1 69.2 -6.7 64.3 -4.7 93 112 A D T 3 S+ 0 0 57 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.794 74.4 37.7 -50.5 -42.1 -4.4 67.1 -6.0 94 113 A D T 3 S- 0 0 71 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.142 106.2-122.4 -99.4 15.1 -4.2 69.0 -2.8 95 114 A N < + 0 0 131 -3,-2.6 -2,-0.1 -6,-0.2 4,-0.1 0.861 64.7 142.6 51.7 39.4 -4.2 66.0 -0.6 96 115 A S S S- 0 0 62 2,-0.3 -1,-0.1 4,-0.0 3,-0.1 0.719 71.9-106.7 -81.0 -23.4 -7.4 67.2 1.3 97 116 A G S S+ 0 0 34 1,-0.2 2,-0.3 -5,-0.1 40,-0.3 0.110 95.7 57.6 110.1 -18.3 -8.9 63.8 1.6 98 117 A T S S- 0 0 30 38,-0.1 2,-0.6 39,-0.0 -2,-0.3 -0.987 82.9-116.0-141.7 149.5 -11.6 64.2 -1.1 99 118 A I B +B 135 0B 3 36,-2.4 36,-1.9 -2,-0.3 2,-0.2 -0.780 45.1 174.1 -86.6 121.7 -11.6 65.0 -4.7 100 119 A T > - 0 0 23 -2,-0.6 4,-1.7 34,-0.2 3,-0.5 -0.677 51.2 -87.3-119.9 173.6 -13.4 68.4 -5.1 101 120 A I H > S+ 0 0 40 32,-0.4 4,-2.3 1,-0.2 5,-0.2 0.888 127.3 58.2 -52.6 -37.7 -14.0 70.8 -8.1 102 121 A K H > S+ 0 0 117 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 103.6 51.5 -57.9 -42.5 -10.7 72.4 -7.2 103 122 A D H > S+ 0 0 0 -3,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.916 112.0 45.9 -63.5 -42.3 -8.8 69.1 -7.6 104 123 A L H X S+ 0 0 18 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.840 106.9 57.4 -73.4 -32.8 -10.3 68.5 -11.0 105 124 A R H X S+ 0 0 95 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.972 113.7 41.9 -52.0 -51.5 -9.7 72.1 -12.3 106 125 A R H X S+ 0 0 95 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.938 113.8 49.0 -67.2 -47.7 -6.0 71.5 -11.6 107 126 A V H X S+ 0 0 21 -4,-2.7 4,-0.7 1,-0.2 5,-0.2 0.974 109.3 55.2 -51.7 -56.1 -5.9 68.0 -12.9 108 127 A A H ><>S+ 0 0 13 -4,-2.9 5,-2.5 1,-0.2 3,-1.0 0.858 109.7 46.4 -43.9 -49.4 -7.6 69.3 -16.1 109 128 A K H ><5S+ 0 0 149 -4,-2.2 3,-3.8 1,-0.2 -1,-0.2 0.963 106.6 57.1 -52.4 -56.4 -4.9 71.9 -16.5 110 129 A E H 3<5S+ 0 0 162 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.507 108.3 48.7 -63.8 -7.5 -2.1 69.4 -15.9 111 130 A L T <<5S- 0 0 77 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.270 115.3-117.1-109.0 6.3 -3.5 67.4 -18.8 112 131 A G T < 5 + 0 0 71 -3,-3.8 2,-0.5 1,-0.2 -3,-0.2 0.764 70.0 138.0 62.6 31.0 -3.7 70.5 -21.1 113 132 A E < - 0 0 77 -5,-2.5 2,-0.9 -6,-0.2 -1,-0.2 -0.907 47.8-149.5-112.5 131.2 -7.5 70.2 -21.3 114 133 A N + 0 0 159 -2,-0.5 2,-0.4 -3,-0.1 -9,-0.0 -0.817 30.1 164.4-103.9 93.4 -9.8 73.1 -21.1 115 134 A L - 0 0 22 -2,-0.9 -6,-0.1 -10,-0.1 51,-0.0 -0.876 35.3-116.3-109.0 141.0 -13.0 71.8 -19.5 116 135 A T > - 0 0 68 -2,-0.4 4,-2.2 1,-0.1 5,-0.1 -0.256 22.8-111.9 -75.3 164.7 -15.5 74.2 -18.1 117 136 A E H > S+ 0 0 114 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.844 122.7 50.1 -60.1 -32.6 -16.5 74.3 -14.4 118 137 A E H > S+ 0 0 162 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.939 105.1 53.1 -76.0 -44.6 -19.8 73.0 -15.6 119 138 A E H > S+ 0 0 60 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.906 114.7 45.8 -49.0 -40.5 -18.3 70.2 -17.6 120 139 A L H X S+ 0 0 6 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.820 103.9 57.7 -76.1 -38.8 -16.4 69.2 -14.3 121 140 A Q H X S+ 0 0 48 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.735 98.1 63.7 -62.5 -26.4 -19.2 69.4 -11.7 122 141 A E H X S+ 0 0 125 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.963 100.7 52.1 -62.1 -52.6 -21.2 66.9 -13.7 123 142 A M H >X S+ 0 0 28 -4,-0.8 4,-2.0 1,-0.2 3,-1.4 0.967 108.8 49.4 -39.2 -65.3 -18.4 64.3 -13.0 124 143 A I H 3X S+ 0 0 7 -4,-1.6 4,-2.9 1,-0.3 -1,-0.2 0.881 110.3 50.4 -46.7 -49.1 -18.6 65.0 -9.3 125 144 A A H 3< S+ 0 0 66 -4,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.704 108.5 52.3 -68.6 -25.8 -22.4 64.6 -9.2 126 145 A E H << S+ 0 0 114 -4,-1.7 -1,-0.2 -3,-1.4 -2,-0.2 0.944 119.9 33.3 -71.0 -51.6 -22.3 61.3 -11.0 127 146 A A H < S+ 0 0 8 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.762 103.4 96.8 -77.5 -22.8 -19.8 59.8 -8.6 128 147 A D < + 0 0 13 -4,-2.9 7,-0.1 -5,-0.4 -3,-0.0 -0.307 38.0 160.2 -70.0 150.9 -21.3 61.7 -5.7 129 148 A R + 0 0 159 5,-0.3 -1,-0.1 0, 0.0 6,-0.1 0.365 67.0 54.2-154.9 0.3 -23.8 59.9 -3.5 130 149 A N S S- 0 0 88 4,-0.3 -2,-0.1 0, 0.0 0, 0.0 0.215 104.9-115.8-117.4 14.5 -24.1 61.7 -0.0 131 150 A D S S+ 0 0 148 3,-0.1 -6,-0.0 -6,-0.1 -3,-0.0 0.849 81.4 119.2 49.1 49.3 -24.8 65.1 -1.7 132 151 A D S S- 0 0 58 2,-0.3 3,-0.1 0, 0.0 -1,-0.1 0.261 79.6-120.5-113.0 10.7 -21.7 67.0 -0.5 133 152 A N S S+ 0 0 121 1,-0.2 -32,-0.4 -9,-0.1 2,-0.3 0.756 80.5 108.0 51.1 27.5 -20.3 67.7 -4.0 134 153 A E - 0 0 64 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.854 66.4-135.7-124.6 161.0 -17.2 65.7 -3.1 135 154 A I B -B 99 0B 15 -36,-1.9 -36,-2.4 -2,-0.3 -7,-0.1 -0.973 29.0-169.9-116.2 107.3 -15.8 62.3 -4.2 136 155 A D > - 0 0 49 -2,-0.6 4,-2.4 -38,-0.2 5,-0.2 -0.257 39.8 -87.4 -90.2-175.8 -14.6 60.4 -1.2 137 156 A E H > S+ 0 0 60 -40,-0.3 4,-3.1 1,-0.2 5,-0.3 0.962 126.8 46.9 -62.9 -46.0 -12.6 57.1 -1.1 138 157 A D H > S+ 0 0 90 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.854 112.5 50.3 -64.6 -33.6 -15.6 54.8 -1.2 139 158 A E H > S+ 0 0 15 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.905 113.9 44.6 -70.9 -42.1 -17.2 56.8 -4.0 140 159 A F H X S+ 0 0 14 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.987 112.5 49.9 -63.3 -59.8 -14.1 56.7 -6.1 141 160 A I H X S+ 0 0 28 -4,-3.1 4,-1.7 1,-0.2 3,-0.3 0.852 113.1 51.6 -38.8 -41.7 -13.5 52.9 -5.3 142 161 A R H < S+ 0 0 145 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.927 107.3 47.5 -69.6 -48.2 -17.1 52.4 -6.4 143 162 A I H < S+ 0 0 87 -4,-2.2 -1,-0.2 -3,-0.2 -2,-0.2 0.495 117.6 45.4 -80.0 -3.5 -17.0 54.3 -9.7 144 163 A M H < 0 0 77 -4,-1.2 -2,-0.2 -3,-0.3 -3,-0.2 0.785 360.0 360.0 -87.0 -83.4 -13.8 52.3 -10.5 145 164 A K < 0 0 108 -4,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.916 360.0 360.0 -40.0 360.0 -15.1 48.8 -9.4 146 !* 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 0.0 147 2 B I > 0 0 115 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -36.0 0.7 50.8 -12.1 148 3 B G H > + 0 0 57 2,-0.2 4,-1.9 3,-0.2 5,-0.1 0.871 360.0 50.7 -72.0 -41.5 -1.5 49.0 -14.7 149 4 B A H > S+ 0 0 53 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.976 114.8 42.3 -49.7 -61.2 -4.6 50.3 -13.0 150 5 B V H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.880 113.1 50.7 -62.1 -45.7 -3.4 53.9 -13.1 151 6 B L H X S+ 0 0 102 -4,-2.3 4,-3.1 1,-0.2 5,-0.4 0.926 109.6 51.9 -59.1 -43.5 -1.9 53.8 -16.6 152 7 B K H X>S+ 0 0 49 -4,-1.9 5,-2.0 1,-0.2 4,-0.8 0.773 109.4 50.4 -69.3 -27.4 -5.1 52.3 -18.0 153 8 B V H <>S+ 0 0 32 -4,-1.5 5,-2.2 -3,-0.2 -1,-0.2 0.923 118.9 36.2 -67.5 -47.4 -7.1 55.2 -16.4 154 9 B L H <5S+ 0 0 68 -4,-2.2 4,-0.3 3,-0.2 -2,-0.2 0.969 121.2 42.0 -74.4 -54.5 -4.9 57.9 -17.8 155 10 B T H <5S+ 0 0 80 -4,-3.1 -3,-0.2 -5,-0.2 -1,-0.1 0.901 138.0 2.6 -65.9 -43.8 -4.1 56.6 -21.2 156 11 B T T X5S+ 0 0 90 -4,-0.8 4,-1.5 -5,-0.4 -3,-0.2 0.788 127.6 52.3-112.2 -47.0 -7.5 55.2 -22.2 157 12 B G H > S+ 0 0 59 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.827 113.6 54.5 -55.5 -39.7 -9.4 60.8 -22.9 160 15 B A H X S+ 0 0 61 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.972 113.8 41.0 -55.9 -54.0 -12.4 58.5 -23.6 161 16 B L H X S+ 0 0 55 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.860 119.0 46.8 -60.1 -41.9 -14.3 60.3 -20.8 162 17 B I H < S+ 0 0 19 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.957 110.8 49.2 -65.2 -52.9 -13.0 63.7 -21.8 163 18 B S H < S+ 0 0 87 -4,-3.4 3,-0.2 1,-0.2 -2,-0.2 0.739 105.5 61.1 -67.6 -22.7 -13.7 63.3 -25.5 164 19 B W H < S+ 0 0 189 -4,-1.6 2,-2.3 -5,-0.2 -1,-0.2 0.994 99.0 55.1 -57.9 -62.3 -17.2 62.2 -24.6 165 20 B I < 0 0 20 -4,-1.7 -1,-0.2 1,-0.3 -46,-0.0 -0.445 360.0 360.0 -71.7 79.6 -17.8 65.6 -22.9 166 21 B K 0 0 116 -2,-2.3 -1,-0.3 -3,-0.2 -2,-0.1 0.273 360.0 360.0-178.4 360.0 -17.0 67.4 -26.1