==== 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 CIRCADIAN CLOCK PROTEIN 13-AUG-03 1Q6B . COMPND 2 MOLECULE: CIRCADIAN CLOCK PROTEIN KAIA HOMOLOG; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOSYNECHOCOCCUS ELONGATUS; . AUTHOR I.VAKONAKIS,J.SUN,S.S.GOLDEN,A.HOLZENBURG,A.C.LIWANG . 214 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 85.0 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 . 6 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 0 0 0 2 0 0 2 0 0 0 2 2 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 1 A A 0 0 144 0, 0.0 2,-0.6 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -98.0 -39.2 8.5 15.4 2 2 A M + 0 0 163 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.168 360.0 157.9 44.8 -93.6 -37.0 6.0 13.6 3 3 A A + 0 0 93 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.905 14.9 148.6 39.7 89.7 -33.9 8.2 13.4 4 4 A R + 0 0 200 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.787 11.8 149.2-156.1 106.8 -31.2 5.6 12.9 5 5 A M + 0 0 134 -2,-0.3 4,-0.4 3,-0.0 3,-0.3 0.857 21.8 165.4-100.2 -65.7 -28.0 6.1 11.0 6 6 A S > - 0 0 60 1,-0.2 3,-1.1 2,-0.1 4,-0.2 0.228 61.9 -72.1 64.3 165.7 -25.3 3.9 12.6 7 7 A P T >> S+ 0 0 89 0, 0.0 4,-1.5 0, 0.0 3,-1.1 0.536 109.7 98.7 -69.0 -7.3 -21.9 3.1 10.9 8 8 A A H 3> S+ 0 0 46 -3,-0.3 4,-3.2 1,-0.3 5,-0.3 0.864 74.6 61.3 -50.2 -37.8 -23.8 0.8 8.6 9 9 A D H <> S+ 0 0 51 -3,-1.1 4,-2.8 -4,-0.4 -1,-0.3 0.905 100.8 52.8 -56.9 -40.3 -23.6 3.6 6.0 10 10 A K H <> S+ 0 0 52 -3,-1.1 4,-1.5 -4,-0.2 -1,-0.3 0.870 110.1 49.0 -62.4 -35.0 -19.8 3.4 6.2 11 11 A R H X S+ 0 0 145 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.940 109.8 49.0 -69.9 -45.8 -20.3 -0.3 5.4 12 12 A K H X S+ 0 0 118 -4,-3.2 4,-1.7 1,-0.3 -2,-0.2 0.902 108.8 56.1 -58.2 -37.4 -22.6 0.3 2.5 13 13 A L H X S+ 0 0 65 -4,-2.8 4,-1.5 -5,-0.3 -1,-0.3 0.881 105.4 50.4 -60.3 -38.9 -19.9 2.8 1.5 14 14 A L H X S+ 0 0 19 -4,-1.5 4,-2.1 -3,-0.2 -1,-0.2 0.861 102.1 61.6 -68.2 -35.4 -17.4 -0.1 1.5 15 15 A D H X S+ 0 0 78 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.919 105.3 46.9 -56.8 -43.5 -19.8 -2.2 -0.6 16 16 A E H X S+ 0 0 86 -4,-1.7 4,-4.7 1,-0.2 5,-0.3 0.878 105.6 60.2 -65.9 -36.9 -19.5 0.4 -3.3 17 17 A L H X S+ 0 0 0 -4,-1.5 4,-4.4 1,-0.2 5,-0.4 0.902 104.7 49.1 -57.8 -40.7 -15.7 0.4 -2.9 18 18 A R H X S+ 0 0 116 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.929 115.9 42.9 -64.5 -43.2 -15.7 -3.3 -3.8 19 19 A S H X S+ 0 0 40 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.940 121.0 41.1 -67.1 -46.5 -17.8 -2.6 -6.8 20 20 A I H >X S+ 0 0 25 -4,-4.7 4,-1.7 2,-0.2 3,-0.8 0.972 118.6 45.8 -64.6 -52.7 -15.8 0.5 -7.7 21 21 A Y H 3X S+ 0 0 0 -4,-4.4 4,-2.3 -5,-0.3 3,-0.4 0.918 108.2 58.4 -53.6 -46.3 -12.5 -1.2 -6.8 22 22 A R H 3X S+ 0 0 105 -4,-2.9 4,-1.5 -5,-0.4 -1,-0.3 0.848 104.7 50.6 -52.5 -37.3 -13.7 -4.2 -8.8 23 23 A T H < S+ 0 0 59 -4,-3.5 3,-1.6 1,-0.1 -2,-0.2 0.381 96.9 93.0-100.5 0.6 -10.2 -1.5 -16.1 28 28 A Y H 3< S+ 0 0 72 -4,-2.6 -3,-0.2 1,-0.3 -1,-0.1 0.924 97.1 35.4 -60.7 -42.5 -6.8 -1.3 -14.5 29 29 A F T 3< S+ 0 0 140 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.1 0.074 99.9 125.9 -96.0 22.4 -5.3 -3.1 -17.6 30 30 A N < - 0 0 53 -3,-1.6 -3,-0.1 -6,-0.2 -6,-0.0 0.119 59.6-136.0 -67.7-171.9 -7.8 -1.3 -19.8 31 31 A T S S- 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.704 89.5 -6.1-117.4 -43.9 -6.9 0.7 -22.9 32 32 A D S S+ 0 0 144 2,-0.0 -5,-0.0 3,-0.0 -2,-0.0 0.375 89.9 132.0-135.0 -2.3 -9.1 3.9 -22.7 33 33 A A - 0 0 36 1,-0.1 2,-2.1 -6,-0.1 3,-0.3 -0.226 67.4-114.4 -55.4 143.3 -11.4 3.3 -19.8 34 34 A K > + 0 0 155 1,-0.2 4,-1.5 2,-0.1 -1,-0.1 -0.473 56.4 152.2 -81.1 70.6 -11.5 6.3 -17.4 35 35 A V H > + 0 0 16 -2,-2.1 4,-5.1 -8,-0.2 5,-0.4 0.890 65.7 62.9 -66.4 -40.8 -9.8 4.5 -14.5 36 36 A N H > S+ 0 0 108 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.911 106.2 43.7 -52.2 -46.5 -8.4 7.8 -13.1 37 37 A E H > S+ 0 0 91 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.901 117.5 47.7 -65.9 -37.8 -11.9 9.1 -12.5 38 38 A R H X S+ 0 0 112 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.936 112.5 47.0 -66.0 -47.8 -12.9 5.7 -11.1 39 39 A I H X S+ 0 0 13 -4,-5.1 4,-3.3 1,-0.2 -2,-0.2 0.844 106.8 61.3 -62.4 -33.6 -9.8 5.6 -8.9 40 40 A D H X S+ 0 0 75 -4,-2.3 4,-3.1 -5,-0.4 -1,-0.2 0.940 102.4 48.5 -59.5 -49.2 -10.6 9.2 -7.9 41 41 A E H X S+ 0 0 94 -4,-1.8 4,-3.9 2,-0.2 5,-0.3 0.905 114.0 47.5 -57.8 -41.6 -14.0 8.2 -6.4 42 42 A F H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.945 114.0 46.5 -63.0 -48.0 -12.3 5.4 -4.6 43 43 A V H X S+ 0 0 10 -4,-3.3 4,-1.4 1,-0.2 -2,-0.2 0.837 116.5 46.5 -62.5 -35.0 -9.6 7.7 -3.4 44 44 A S H X S+ 0 0 31 -4,-3.1 4,-5.7 -5,-0.2 5,-0.3 0.941 112.8 46.2 -75.4 -48.8 -12.3 10.2 -2.4 45 45 A K H X S+ 0 0 21 -4,-3.9 4,-4.1 2,-0.2 -2,-0.2 0.925 114.2 48.5 -60.5 -44.1 -14.6 7.8 -0.6 46 46 A A H <>S+ 0 0 0 -4,-2.6 5,-3.0 -5,-0.3 -1,-0.2 0.918 121.9 36.5 -61.3 -40.5 -11.7 6.3 1.3 47 47 A F H ><5S+ 0 0 84 -4,-1.4 3,-1.0 -5,-0.3 -2,-0.2 0.882 120.7 47.6 -76.0 -42.0 -10.6 9.8 2.1 48 48 A F H 3<5S+ 0 0 183 -4,-5.7 -3,-0.2 1,-0.2 -2,-0.2 0.895 113.7 46.4 -66.5 -43.7 -14.2 11.1 2.5 49 49 A A T 3<5S- 0 0 17 -4,-4.1 -1,-0.2 -5,-0.3 -2,-0.1 0.023 111.2-117.5 -89.8 28.0 -15.3 8.3 4.7 50 50 A D T < 5 - 0 0 90 -3,-1.0 2,-0.4 1,-0.2 -3,-0.2 0.889 51.7-179.6 33.1 68.9 -12.2 8.5 6.9 51 51 A I < - 0 0 3 -5,-3.0 2,-0.2 -6,-0.1 -1,-0.2 -0.823 24.4-128.5-103.5 140.1 -11.3 5.0 5.9 52 52 A S >> - 0 0 52 -2,-0.4 4,-0.9 1,-0.1 3,-0.8 -0.511 20.1-121.2 -83.2 153.3 -8.2 3.1 7.1 53 53 A V H >> S+ 0 0 6 1,-0.3 4,-1.7 148,-0.2 3,-0.7 0.887 112.3 63.4 -59.4 -38.6 -5.8 1.5 4.7 54 54 A S H 3> S+ 0 0 66 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.842 94.1 61.6 -54.6 -36.4 -6.4 -1.8 6.3 55 55 A Q H <> S+ 0 0 48 -3,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.913 104.3 47.2 -58.6 -43.0 -10.1 -1.6 5.2 56 56 A V H X S+ 0 0 66 -4,-1.2 4,-2.1 2,-0.2 3,-1.3 0.978 103.4 51.0 -69.8 -60.0 -14.2 -16.9 -10.2 71 71 A L H 3X>S+ 0 0 3 -4,-3.6 4,-0.9 1,-0.3 5,-0.7 0.886 105.3 58.6 -47.6 -43.7 -10.9 -18.0 -11.7 72 72 A K H ><5S+ 0 0 166 -4,-1.7 3,-0.6 -5,-0.3 -1,-0.3 0.897 109.9 44.4 -54.2 -37.6 -11.7 -21.6 -10.9 73 73 A L H <<5S+ 0 0 137 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.843 108.9 56.2 -72.1 -36.2 -14.8 -21.1 -13.1 74 74 A E H 3<5S- 0 0 83 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.541 97.0-141.2 -73.8 -6.9 -12.8 -19.3 -15.7 75 75 A G T <<5 + 0 0 69 -4,-0.9 -3,-0.1 -3,-0.6 -1,-0.1 0.483 67.6 118.5 59.3 -3.1 -10.6 -22.4 -16.0 76 76 A R S > - 0 0 50 -3,-0.1 3,-1.5 1,-0.1 4,-0.6 -0.964 13.8-132.9-127.2 143.5 -5.0 -19.2 -13.9 78 78 A E H 3> S+ 0 0 93 -2,-0.4 4,-4.9 1,-0.3 5,-0.3 0.643 92.7 93.4 -65.0 -12.1 -4.8 -17.3 -10.6 79 79 A D H 3> S+ 0 0 106 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.881 87.5 46.1 -48.1 -40.3 -1.5 -15.9 -12.1 80 80 A I H X4 S+ 0 0 55 -3,-1.5 3,-0.6 2,-0.2 4,-0.5 0.962 116.0 42.6 -67.8 -51.2 -3.7 -13.0 -13.3 81 81 A L H >< S+ 0 0 12 -4,-0.6 3,-1.0 1,-0.3 -2,-0.2 0.862 112.5 57.1 -61.2 -34.9 -5.5 -12.6 -10.0 82 82 A L H >< S+ 0 0 81 -4,-4.9 3,-0.9 1,-0.2 -1,-0.3 0.782 100.1 56.4 -66.9 -29.8 -2.1 -13.1 -8.4 83 83 A D T X< S+ 0 0 51 -4,-1.3 3,-1.4 -3,-0.6 4,-0.4 0.562 84.1 85.5 -81.1 -6.1 -0.6 -10.2 -10.3 84 84 A Y T <> + 0 0 25 -3,-1.0 4,-2.9 -4,-0.5 3,-0.5 0.662 63.4 87.9 -67.8 -14.0 -3.3 -7.9 -8.9 85 85 A R H <> S+ 0 0 121 -3,-0.9 4,-2.2 1,-0.3 -1,-0.3 0.894 87.2 53.5 -51.2 -37.1 -1.1 -7.4 -5.8 86 86 A L H <> S+ 0 0 92 -3,-1.4 4,-2.0 2,-0.2 -1,-0.3 0.892 109.9 46.5 -63.3 -41.4 0.4 -4.6 -7.9 87 87 A T H > S+ 0 0 1 -3,-0.5 4,-2.7 -4,-0.4 -2,-0.2 0.946 110.4 50.5 -67.7 -49.8 -3.1 -3.1 -8.4 88 88 A L H X S+ 0 0 2 -4,-2.9 4,-1.9 1,-0.2 5,-0.2 0.922 114.3 45.8 -54.6 -45.0 -4.2 -3.3 -4.8 89 89 A I H X S+ 0 0 15 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.875 110.9 53.3 -65.9 -37.2 -1.0 -1.6 -3.8 90 90 A D H X S+ 0 0 31 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.877 105.9 54.3 -65.1 -38.4 -1.4 1.0 -6.5 91 91 A V H X S+ 0 0 4 -4,-2.7 4,-1.9 2,-0.2 5,-0.2 0.955 113.3 39.5 -61.9 -51.7 -4.9 1.8 -5.3 92 92 A I H X S+ 0 0 2 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.840 115.0 54.8 -67.1 -31.8 -3.9 2.5 -1.7 93 93 A A H X S+ 0 0 10 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.825 105.8 54.7 -69.4 -30.3 -0.8 4.2 -3.0 94 94 A H H X S+ 0 0 84 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.965 110.6 40.7 -68.1 -55.0 -3.0 6.4 -5.1 95 95 A L H >X S+ 0 0 4 -4,-1.9 4,-1.4 1,-0.2 3,-0.6 0.916 114.0 55.5 -61.2 -40.7 -5.2 7.8 -2.3 96 96 A a H 3X S+ 0 0 4 -4,-2.0 4,-1.9 1,-0.3 3,-0.3 0.876 100.5 58.7 -59.8 -35.5 -2.2 8.1 -0.1 97 97 A E H 3X S+ 0 0 49 -4,-1.6 4,-1.5 1,-0.3 -1,-0.3 0.868 103.5 53.7 -61.0 -33.6 -0.6 10.2 -2.8 98 98 A M H < S+ 0 0 3 -4,-1.4 3,-0.9 -3,-0.3 -2,-0.2 0.940 106.9 49.1 -65.5 -45.9 -3.0 12.8 1.4 100 100 A R H >< S+ 0 0 47 -4,-1.9 3,-1.1 1,-0.3 -1,-0.2 0.869 110.2 51.5 -60.2 -37.8 0.6 14.0 0.9 101 101 A R H 3< S+ 0 0 203 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.661 102.0 62.7 -73.4 -16.6 -0.6 16.6 -1.6 102 102 A S T << S+ 0 0 25 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.121 78.8 105.2 -94.9 20.1 -3.2 17.8 1.0 103 103 A I < - 0 0 16 -3,-1.1 2,-1.1 108,-0.1 108,-0.1 -0.867 49.5-169.6-107.0 106.0 -0.5 18.8 3.4 104 104 A P - 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.265 58.8 -88.8 -86.0 49.1 -0.0 22.7 3.6 105 105 A R - 0 0 180 -2,-1.1 -2,-0.0 1,-0.1 0, 0.0 0.859 45.1-169.8 43.7 107.4 3.2 22.4 5.7 106 106 A E 0 0 114 104,-0.1 -1,-0.1 -3,-0.0 105,-0.0 0.608 360.0 360.0 -97.6 -17.0 2.2 22.3 9.4 107 107 A V 0 0 198 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.850 360.0 360.0 32.9 360.0 5.8 22.7 10.6 108 !* 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 0.0 109 201 B A 0 0 144 0, 0.0 2,-0.6 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -98.0 35.0 25.2 -4.5 110 202 B M + 0 0 162 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.169 360.0 157.9 44.8 -93.6 33.6 21.6 -4.6 111 203 B A + 0 0 93 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.905 14.9 148.6 39.7 89.8 30.1 22.5 -3.5 112 204 B R + 0 0 198 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.787 11.8 149.2-156.1 106.9 28.1 19.5 -4.8 113 205 B M + 0 0 134 -2,-0.3 4,-0.4 3,-0.0 3,-0.3 0.857 21.8 165.3-100.2 -65.9 25.0 18.0 -3.2 114 206 B S > - 0 0 59 1,-0.2 3,-1.1 2,-0.1 4,-0.2 0.227 61.9 -72.1 64.3 165.6 22.8 16.6 -6.0 115 207 B P T >> S+ 0 0 87 0, 0.0 4,-1.5 0, 0.0 3,-1.1 0.536 109.7 98.7 -69.0 -7.2 19.9 14.2 -5.5 116 208 B A H 3> S+ 0 0 45 -3,-0.3 4,-3.2 1,-0.3 5,-0.3 0.863 74.6 61.3 -50.4 -37.9 22.4 11.5 -4.7 117 209 B D H <> S+ 0 0 52 -3,-1.1 4,-2.8 -4,-0.4 -1,-0.3 0.905 100.8 52.9 -56.9 -40.3 21.8 12.2 -1.0 118 210 B K H <> S+ 0 0 52 -3,-1.1 4,-1.5 -4,-0.2 -1,-0.3 0.869 110.1 49.0 -62.4 -35.0 18.2 11.1 -1.6 119 211 B R H X S+ 0 0 144 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.940 109.8 49.1 -69.9 -45.7 19.6 8.0 -3.2 120 212 B K H X S+ 0 0 116 -4,-3.2 4,-1.7 1,-0.3 -2,-0.2 0.902 108.8 56.1 -58.3 -37.3 21.9 7.3 -0.2 121 213 B L H X S+ 0 0 62 -4,-2.8 4,-1.5 -5,-0.3 -1,-0.3 0.881 105.5 50.4 -60.3 -39.0 18.8 8.0 1.8 122 214 B L H X S+ 0 0 19 -4,-1.5 4,-2.1 -3,-0.2 -1,-0.2 0.861 102.1 61.7 -68.1 -35.5 17.1 5.2 -0.1 123 215 B D H X S+ 0 0 75 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.919 105.3 46.9 -56.7 -43.6 20.0 2.9 0.6 124 216 B E H X S+ 0 0 84 -4,-1.7 4,-4.7 1,-0.2 5,-0.3 0.878 105.6 60.2 -65.7 -37.0 19.3 3.2 4.3 125 217 B L H X S+ 0 0 0 -4,-1.5 4,-4.4 1,-0.2 5,-0.4 0.902 104.7 49.1 -57.8 -40.7 15.6 2.6 3.6 126 218 B R H X S+ 0 0 115 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.929 115.9 42.9 -64.5 -43.3 16.5 -0.8 2.2 127 219 B S H X S+ 0 0 40 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.940 121.0 41.1 -67.1 -46.4 18.6 -1.5 5.2 128 220 B I H >X S+ 0 0 23 -4,-4.7 4,-1.6 2,-0.2 3,-0.8 0.972 118.6 45.8 -64.6 -52.7 16.0 -0.1 7.6 129 221 B Y H 3X S+ 0 0 0 -4,-4.4 4,-2.3 -5,-0.3 3,-0.4 0.918 108.2 58.4 -53.8 -46.2 13.2 -1.7 5.6 130 222 B R H 3X S+ 0 0 107 -4,-2.9 4,-1.5 -5,-0.4 -1,-0.3 0.848 104.7 50.7 -52.4 -37.3 15.2 -4.9 5.5 131 223 B T H < S+ 0 0 62 -4,-3.5 3,-1.6 1,-0.1 -2,-0.2 0.381 96.9 93.0-100.4 0.6 11.7 -7.9 12.7 136 228 B Y H 3< S+ 0 0 70 -4,-2.6 -3,-0.2 1,-0.3 -1,-0.1 0.925 97.1 35.5 -60.7 -42.4 8.2 -7.7 11.3 137 229 B F T 3< S+ 0 0 141 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.1 0.075 99.9 126.0 -96.1 22.5 7.4 -11.2 12.6 138 230 B N < - 0 0 53 -3,-1.6 -3,-0.1 -6,-0.2 -6,-0.0 0.119 59.6-136.0 -67.7-171.9 9.6 -10.5 15.6 139 231 B T S S- 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.705 89.5 -6.1-117.4 -44.0 8.5 -10.9 19.3 140 232 B D S S+ 0 0 144 2,-0.0 -5,-0.0 3,-0.0 -2,-0.0 0.375 89.9 132.0-135.0 -2.2 9.8 -7.9 21.1 141 233 B A - 0 0 36 1,-0.1 2,-2.1 -6,-0.1 3,-0.3 -0.226 67.4-114.3 -55.4 143.3 11.9 -6.0 18.6 142 234 B K > + 0 0 156 1,-0.2 4,-1.5 2,-0.1 -1,-0.1 -0.473 56.5 152.2 -81.0 70.6 11.1 -2.3 18.4 143 235 B V H > + 0 0 16 -2,-2.1 4,-5.1 -8,-0.2 5,-0.4 0.889 65.7 62.9 -66.5 -40.8 9.8 -2.4 14.9 144 236 B N H > S+ 0 0 109 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.911 106.2 43.7 -52.1 -46.5 7.5 0.6 15.5 145 237 B E H > S+ 0 0 91 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 117.5 47.7 -65.9 -37.8 10.5 2.8 16.2 146 238 B R H X S+ 0 0 108 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.936 112.6 47.1 -66.0 -47.8 12.2 1.2 13.2 147 239 B I H X S+ 0 0 13 -4,-5.1 4,-3.3 1,-0.2 -2,-0.2 0.845 106.8 61.3 -62.5 -33.5 9.1 1.7 11.0 148 240 B D H X S+ 0 0 74 -4,-2.3 4,-3.1 -5,-0.4 -1,-0.2 0.939 102.4 48.6 -59.5 -49.4 8.9 5.3 12.3 149 241 B E H X S+ 0 0 95 -4,-1.8 4,-3.9 2,-0.2 5,-0.3 0.904 114.0 47.5 -57.8 -41.6 12.3 6.2 10.8 150 242 B F H X S+ 0 0 2 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.944 113.9 46.5 -63.0 -48.0 11.2 4.6 7.6 151 243 B V H X S+ 0 0 9 -4,-3.3 4,-1.4 1,-0.2 -2,-0.2 0.838 116.5 46.5 -62.5 -34.9 7.9 6.5 7.8 152 244 B S H X S+ 0 0 30 -4,-3.1 4,-5.7 -5,-0.2 5,-0.3 0.941 112.7 46.2 -75.4 -48.9 9.9 9.6 8.7 153 245 B K H X S+ 0 0 20 -4,-3.9 4,-4.1 2,-0.2 -2,-0.2 0.926 114.2 48.5 -60.6 -44.0 12.6 9.4 6.0 154 246 B A H <>S+ 0 0 1 -4,-2.6 5,-3.0 -5,-0.3 -1,-0.2 0.918 121.9 36.5 -61.5 -40.4 10.0 8.6 3.3 155 247 B F H ><5S+ 0 0 83 -4,-1.4 3,-1.0 -5,-0.3 -2,-0.2 0.881 120.7 47.5 -76.0 -42.0 8.0 11.6 4.6 156 248 B F H 3<5S+ 0 0 187 -4,-5.7 -3,-0.2 1,-0.2 -2,-0.2 0.895 113.7 46.4 -66.6 -43.8 11.1 13.7 5.4 157 249 B A T 3<5S- 0 0 19 -4,-4.1 -1,-0.2 -5,-0.3 -2,-0.1 0.024 111.2-117.5 -89.7 27.9 12.7 13.0 2.0 158 250 B D T < 5 - 0 0 92 -3,-1.0 2,-0.4 1,-0.2 -3,-0.2 0.890 51.8-179.5 33.4 68.8 9.5 13.7 0.1 159 251 B I < - 0 0 3 -5,-3.0 2,-0.2 -6,-0.1 -1,-0.2 -0.823 24.4-128.5-103.5 140.1 9.5 10.2 -1.2 160 252 B S >> - 0 0 53 -2,-0.4 4,-0.9 1,-0.1 3,-0.8 -0.512 20.1-121.2 -83.2 153.5 6.9 8.7 -3.5 161 253 B V H >> S+ 0 0 8 1,-0.3 4,-1.7 2,-0.2 3,-0.7 0.886 112.3 63.4 -59.5 -38.7 5.2 5.5 -2.7 162 254 B S H 3> S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.843 94.1 61.7 -54.6 -36.4 6.5 4.0 -5.9 163 255 B Q H <> S+ 0 0 52 -3,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.913 104.3 47.2 -58.5 -43.1 10.0 4.4 -4.6 164 256 B V H X S+ 0 0 68 -4,-1.2 4,-2.1 2,-0.2 3,-1.3 0.978 103.4 51.0 -69.8 -60.1 18.9 -15.5 -0.7 179 271 B L H 3X>S+ 0 0 3 -4,-3.6 4,-0.9 1,-0.3 5,-0.7 0.886 105.3 58.6 -47.7 -43.7 16.0 -18.0 -0.4 180 272 B K H ><5S+ 0 0 166 -4,-1.7 3,-0.6 -5,-0.3 -1,-0.3 0.898 109.9 44.3 -54.1 -37.6 17.7 -20.2 -3.0 181 273 B L H <<5S+ 0 0 134 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.842 108.9 56.3 -72.1 -36.3 20.7 -20.2 -0.7 182 274 B E H 3<5S- 0 0 83 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.540 97.0-141.2 -73.7 -7.1 18.5 -20.9 2.3 183 275 B G T <<5 + 0 0 66 -4,-0.9 -3,-0.1 -3,-0.6 -1,-0.1 0.484 67.6 118.5 59.5 -3.1 17.1 -24.0 0.5 184 276 B R S > - 0 0 51 -3,-0.1 3,-1.5 1,-0.1 4,-0.6 -0.964 13.8-132.9-127.1 143.5 10.8 -21.7 0.2 186 278 B E H 3> S+ 0 0 90 -2,-0.4 4,-4.9 1,-0.3 5,-0.3 0.643 92.7 93.4 -65.0 -12.0 9.9 -18.3 -1.4 187 279 B D H 3> S+ 0 0 105 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.880 87.5 46.1 -48.1 -40.5 6.5 -18.9 0.4 188 280 B I H X4 S+ 0 0 57 -3,-1.5 3,-0.6 2,-0.2 4,-0.5 0.962 116.0 42.6 -67.7 -51.2 8.0 -16.8 3.2 189 281 B L H >< S+ 0 0 14 -4,-0.6 3,-1.0 1,-0.3 -2,-0.2 0.862 112.6 57.1 -61.2 -34.9 9.4 -14.1 0.9 190 282 B L H >< S+ 0 0 84 -4,-4.9 3,-0.9 1,-0.2 -1,-0.3 0.783 100.1 56.3 -67.0 -29.6 6.1 -14.4 -1.0 191 283 B D T X< S+ 0 0 53 -4,-1.3 3,-1.4 -3,-0.6 4,-0.4 0.561 84.1 85.5 -81.3 -6.0 4.1 -13.6 2.2 192 284 B Y T <> + 0 0 25 -3,-1.0 4,-2.9 -4,-0.5 3,-0.5 0.663 63.4 87.9 -67.9 -14.0 6.1 -10.3 2.6 193 285 B R H <> S+ 0 0 120 -3,-0.9 4,-2.2 1,-0.3 -1,-0.3 0.894 87.1 53.5 -51.1 -37.2 3.6 -8.7 0.2 194 286 B L H <> S+ 0 0 91 -3,-1.4 4,-2.0 2,-0.2 -1,-0.3 0.892 109.9 46.5 -63.3 -41.4 1.6 -8.1 3.4 195 287 B T H > S+ 0 0 1 -3,-0.5 4,-2.7 -4,-0.4 -2,-0.2 0.945 110.4 50.5 -67.6 -49.9 4.6 -6.4 5.0 196 288 B L H X S+ 0 0 2 -4,-2.9 4,-1.9 1,-0.2 5,-0.2 0.922 114.3 45.8 -54.7 -44.9 5.5 -4.2 2.0 197 289 B I H X S+ 0 0 16 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.875 110.9 53.3 -65.9 -37.2 1.9 -3.0 1.9 198 290 B D H X S+ 0 0 27 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.877 105.9 54.3 -65.0 -38.5 1.9 -2.5 5.6 199 291 B V H X S+ 0 0 5 -4,-2.7 4,-1.9 2,-0.2 5,-0.2 0.956 113.3 39.5 -61.9 -51.7 5.0 -0.3 5.4 200 292 B I H X S+ 0 0 5 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.842 115.0 54.8 -67.1 -31.8 3.5 2.1 2.8 201 293 B A H X S+ 0 0 9 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.824 105.8 54.7 -69.4 -30.3 0.2 1.9 4.7 202 294 B H H X S+ 0 0 82 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.965 110.8 40.4 -68.1 -55.1 2.0 2.9 7.8 203 295 B L H >X S+ 0 0 4 -4,-1.9 4,-1.4 1,-0.2 3,-0.6 0.916 114.0 56.0 -61.2 -40.3 3.6 6.1 6.5 204 296 B a H 3X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.3 -1,-0.2 0.871 100.5 58.1 -59.0 -36.5 0.4 6.9 4.7 205 297 B E H 3X S+ 0 0 50 -4,-1.6 4,-1.5 1,-0.2 -1,-0.3 0.863 103.6 53.9 -61.6 -33.5 -1.4 6.6 8.0 206 298 B M H < S+ 0 0 4 -4,-1.4 3,-0.9 -3,-0.2 -2,-0.2 0.939 106.9 49.1 -65.5 -45.9 -0.1 11.6 6.2 208 300 B R H >< S+ 0 0 47 -4,-1.9 3,-1.1 1,-0.3 -1,-0.2 0.869 110.2 51.5 -60.2 -37.8 -3.8 11.4 7.1 209 301 B R H 3< S+ 0 0 206 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.660 102.0 62.6 -73.3 -16.7 -3.0 12.3 10.7 210 302 B S T << S+ 0 0 24 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.122 78.7 105.2 -94.9 20.3 -1.0 15.3 9.5 211 303 B I < - 0 0 14 -3,-1.1 2,-1.1 -108,-0.1 -108,-0.1 -0.867 49.6-169.6-107.1 106.1 -4.1 16.9 7.9 212 304 B P - 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.266 58.8 -88.7 -86.1 49.1 -5.5 19.9 9.9 213 305 B R - 0 0 183 -2,-1.1 -2,-0.0 1,-0.1 0, 0.0 0.858 45.2-169.8 43.9 107.3 -8.7 20.1 7.8 214 306 B E 0 0 115 -112,-0.1 -1,-0.1 -3,-0.0 -111,-0.0 0.609 360.0 360.0 -97.6 -17.0 -8.0 22.4 4.9 215 307 B V 0 0 198 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.851 360.0 360.0 33.0 360.0 -11.6 22.6 3.8