==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECOMBINATION 22-JAN-10 3LHF . COMPND 2 MOLECULE: SERINE RECOMBINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR A.J.STEIN,J.OSIPIUK,N.MARSHALL,J.BEARDEN,J.DAVIDOFF, . 552 6 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 409 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 13.4 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 . 28 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 42.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.2 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 1 0 0 0 0 1 4 4 3 0 4 0 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 6 2 4 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 4 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 54 A R 0 0 176 0, 0.0 2,-0.3 0, 0.0 61,-0.3 0.000 360.0 360.0 360.0 168.6 -24.7 -26.4 12.6 2 55 A K E -a 62 0A 74 59,-0.8 62,-2.6 58,-0.1 61,-1.7 -0.863 360.0-134.1-133.7 160.5 -24.2 -29.3 10.3 3 56 A V E -a 64 0A 14 -2,-0.3 31,-2.4 60,-0.2 30,-0.8 -0.955 31.4-165.8-111.6 122.5 -22.1 -32.3 9.4 4 57 A I E -ab 65 34A 0 60,-3.5 62,-3.1 -2,-0.5 2,-0.6 -0.915 16.5-150.8-119.6 133.3 -21.3 -32.6 5.8 5 58 A L E -ab 66 35A 2 29,-3.2 31,-3.4 -2,-0.5 2,-0.5 -0.887 17.9-165.7 -99.9 120.1 -19.9 -35.4 3.8 6 59 A Y E +ab 67 36A 0 60,-2.5 62,-0.8 -2,-0.6 2,-0.3 -0.933 11.9 171.1-112.2 122.8 -17.8 -34.2 0.9 7 60 A A E + b 0 37A 1 29,-2.4 31,-1.3 -2,-0.5 2,-0.3 -0.950 2.9 175.5-128.9 143.7 -16.9 -36.6 -1.9 8 61 A R E - b 0 38A 2 -2,-0.3 2,-0.3 29,-0.2 31,-0.2 -0.993 12.6-168.8-150.1 146.3 -15.3 -36.0 -5.2 9 62 A V E - b 0 39A 4 29,-1.6 31,-3.5 -2,-0.3 5,-0.0 -0.933 27.3-127.9-126.8 155.0 -14.0 -37.8 -8.3 10 63 A S S S+ 0 0 15 -2,-0.3 2,-0.3 29,-0.2 31,-0.1 0.898 84.1 33.2 -63.1 -44.2 -11.9 -36.5 -11.2 11 64 A S > - 0 0 37 29,-0.1 3,-2.5 28,-0.1 29,-0.1 -0.849 66.8-128.1-130.0 152.5 -14.1 -37.8 -14.0 12 65 A S G > S+ 0 0 74 1,-0.3 3,-0.7 -2,-0.3 4,-0.1 0.606 113.8 68.0 -69.7 -9.0 -17.6 -38.5 -15.1 13 66 A T G 3 S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.457 94.9 57.7 -82.9 -4.9 -16.1 -41.8 -15.9 14 67 A Q G <> + 0 0 52 -3,-2.5 4,-2.2 1,-0.1 -1,-0.2 0.135 65.4 115.4-112.7 18.6 -15.7 -42.2 -12.2 15 68 A K H <> S+ 0 0 123 -3,-0.7 4,-1.4 1,-0.3 -1,-0.1 0.854 79.3 52.3 -60.3 -35.7 -19.3 -41.8 -11.3 16 69 A D H > S+ 0 0 99 -3,-0.2 4,-1.3 1,-0.2 3,-0.3 0.931 107.5 52.9 -62.9 -41.5 -19.3 -45.3 -10.1 17 70 A D H > S+ 0 0 84 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.876 103.9 58.3 -61.2 -39.2 -16.3 -44.5 -8.0 18 71 A L H X S+ 0 0 12 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.872 101.6 50.8 -62.9 -43.1 -18.1 -41.5 -6.4 19 72 A V H X S+ 0 0 89 -4,-1.4 4,-3.0 -3,-0.3 -1,-0.2 0.909 109.7 51.1 -63.9 -40.0 -21.1 -43.4 -5.0 20 73 A N H X S+ 0 0 113 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.869 106.8 53.7 -63.7 -36.7 -18.8 -45.9 -3.3 21 74 A Q H X S+ 0 0 15 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.916 111.2 48.1 -62.5 -41.1 -16.9 -43.0 -1.9 22 75 A V H X S+ 0 0 23 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.912 109.9 49.7 -63.7 -41.9 -20.3 -41.9 -0.6 23 76 A K H X S+ 0 0 29 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.955 110.9 51.3 -63.2 -41.7 -21.2 -45.2 0.9 24 77 A Y H X S+ 0 0 56 -4,-2.6 4,-2.2 1,-0.3 5,-0.2 0.950 111.5 45.4 -63.0 -42.8 -17.9 -45.4 2.5 25 78 A L H X S+ 0 0 1 -4,-2.2 4,-1.4 1,-0.2 -1,-0.3 0.814 113.8 52.3 -65.4 -34.8 -18.4 -42.0 4.1 26 79 A E H < S+ 0 0 67 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.874 109.2 47.1 -69.6 -41.1 -21.8 -43.0 5.0 27 80 A E H < S+ 0 0 137 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.841 113.4 48.3 -67.6 -38.9 -20.8 -46.2 6.7 28 81 A Q H < S+ 0 0 116 -4,-2.2 2,-0.5 -5,-0.3 -1,-0.2 0.832 118.5 42.5 -67.2 -35.9 -18.0 -44.5 8.7 29 82 A V < + 0 0 20 -4,-1.4 -1,-0.2 -5,-0.2 3,-0.2 -0.968 56.7 171.7-117.8 121.2 -20.4 -41.7 9.8 30 83 A K S S+ 0 0 100 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.360 73.9 59.2-108.1 5.6 -23.9 -42.5 10.9 31 84 A E S S+ 0 0 74 -5,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.655 71.6 138.1-129.2 76.1 -24.9 -39.1 12.1 32 85 A Y - 0 0 74 -2,-0.3 -28,-0.1 -3,-0.2 3,-0.1 -0.977 37.6-162.6-125.6 132.2 -24.5 -36.8 9.1 33 86 A D + 0 0 88 -30,-0.8 2,-0.3 -2,-0.4 -29,-0.2 0.896 69.6 19.0 -70.6 -47.2 -26.7 -34.0 8.0 34 87 A Q E -b 4 0A 46 -31,-2.4 -29,-3.2 2,-0.0 2,-0.4 -0.978 54.2-146.7-142.2 147.5 -25.7 -33.4 4.4 35 88 A V E -b 5 0A 58 -2,-0.3 2,-0.4 -31,-0.2 -29,-0.2 -0.895 15.2-175.1-112.3 136.5 -23.9 -34.9 1.5 36 89 A I E +b 6 0A 7 -31,-3.4 -29,-2.4 -2,-0.4 2,-0.3 -0.991 8.5 172.0-129.2 138.1 -21.9 -32.9 -1.0 37 90 A T E -b 7 0A 58 -2,-0.4 2,-0.3 -31,-0.2 12,-0.3 -0.983 8.8-175.2-143.4 155.2 -20.3 -34.3 -4.2 38 91 A D E -b 8 0A 20 -31,-1.3 -29,-1.6 -2,-0.3 2,-0.5 -0.990 21.8-139.8-145.1 153.6 -18.6 -33.1 -7.3 39 92 A I E +b 9 0A 71 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.983 69.6 51.1-109.0 119.5 -17.2 -34.4 -10.5 40 93 A G S S- 0 0 12 -31,-3.5 2,-0.2 -2,-0.5 -29,-0.1 -0.897 85.4 -45.4 149.4-178.8 -13.9 -32.7 -11.3 41 94 A S > - 0 0 19 -2,-0.3 3,-1.3 -31,-0.1 6,-0.2 -0.536 37.7-124.8 -83.8 152.4 -10.5 -31.7 -10.1 42 95 A G T 3 S+ 0 0 2 1,-0.3 33,-1.7 -2,-0.2 34,-0.4 0.542 113.0 67.0 -69.9 -11.7 -9.6 -30.1 -6.8 43 96 A L T 3 S+ 0 0 44 31,-0.2 2,-0.7 32,-0.2 -1,-0.3 0.755 76.3 95.4 -67.3 -33.3 -8.1 -27.5 -9.1 44 97 A N X - 0 0 67 -3,-1.3 3,-0.9 1,-0.2 -1,-0.0 -0.512 52.2-175.6 -75.1 111.2 -11.4 -26.5 -10.3 45 98 A M T 3 S+ 0 0 25 -2,-0.7 -1,-0.2 1,-0.2 -3,-0.1 0.367 79.6 64.9 -87.7 4.0 -12.4 -23.5 -8.1 46 99 A K T 3 + 0 0 165 4,-0.0 -1,-0.2 5,-0.0 5,-0.1 0.416 67.3 139.1 -99.3 -0.3 -15.8 -23.4 -9.8 47 100 A R <> - 0 0 6 -3,-0.9 4,-2.1 -6,-0.2 5,-0.2 -0.175 48.5-143.8 -55.0 126.2 -16.9 -26.8 -8.4 48 101 A K H > S+ 0 0 183 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.909 93.6 44.0 -64.4 -46.8 -20.5 -26.4 -7.4 49 102 A G H > S+ 0 0 7 -12,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.944 113.4 52.7 -62.4 -44.7 -20.6 -28.6 -4.4 50 103 A F H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.865 110.5 47.0 -60.3 -43.2 -17.4 -27.2 -3.1 51 104 A L H X S+ 0 0 31 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.927 108.7 52.3 -63.9 -46.9 -18.5 -23.6 -3.4 52 105 A K H X S+ 0 0 99 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.915 113.9 47.3 -60.2 -39.3 -21.8 -24.2 -1.7 53 106 A L H X S+ 0 0 5 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.923 106.4 54.8 -63.1 -48.2 -19.9 -25.8 1.1 54 107 A L H X S+ 0 0 7 -4,-2.5 4,-2.2 1,-0.3 -2,-0.2 0.933 114.2 41.6 -58.3 -47.1 -17.3 -23.1 1.4 55 108 A R H X S+ 0 0 119 -4,-2.4 4,-3.7 2,-0.2 -1,-0.3 0.866 110.2 58.1 -64.4 -36.3 -20.0 -20.5 1.9 56 109 A M H <>S+ 0 0 9 -4,-1.7 5,-2.5 -5,-0.3 6,-0.7 0.938 109.0 45.6 -61.9 -42.8 -21.9 -22.8 4.1 57 110 A I H ><5S+ 0 0 10 -4,-3.0 3,-0.7 1,-0.2 -1,-0.2 0.919 115.7 45.5 -64.0 -43.5 -18.9 -23.0 6.4 58 111 A L H 3<5S+ 0 0 15 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.859 111.1 53.0 -64.6 -36.6 -18.5 -19.2 6.1 59 112 A N T 3<5S- 0 0 109 -4,-3.7 -1,-0.2 -5,-0.1 -2,-0.2 0.543 116.5-121.4 -74.1 -8.9 -22.3 -18.9 6.8 60 113 A N T < 5S+ 0 0 86 -3,-0.7 -3,-0.2 -4,-0.4 -2,-0.1 0.584 75.5 130.7 78.4 12.3 -21.6 -21.1 9.8 61 114 A E < + 0 0 85 -5,-2.5 -59,-0.8 -6,-0.3 2,-0.5 0.650 58.4 74.7 -66.9 -14.0 -24.0 -23.7 8.6 62 115 A V E +a 2 0A 1 -6,-0.7 -59,-0.2 -61,-0.3 3,-0.1 -0.903 38.9 167.1-120.8 117.0 -21.3 -26.3 9.2 63 116 A S E S+ 0 0 33 -61,-1.7 28,-1.6 -2,-0.5 2,-0.3 0.806 79.8 12.8 -73.3 -43.8 -19.9 -27.9 12.3 64 117 A R E -ac 3 91A 89 -62,-2.6 -60,-3.5 26,-0.2 2,-0.4 -0.997 54.6-162.6-144.1 144.1 -18.0 -30.7 10.5 65 118 A V E -ac 4 92A 4 26,-1.8 28,-2.3 -2,-0.3 2,-0.5 -0.988 13.6-157.5-123.3 131.1 -16.9 -31.7 7.1 66 119 A V E -ac 5 93A 2 -62,-3.1 -60,-2.5 -2,-0.4 2,-0.4 -0.930 4.7-167.0-117.5 124.7 -15.8 -35.2 6.3 67 120 A V E -ac 6 94A 4 26,-2.7 28,-1.5 -2,-0.5 29,-0.3 -0.908 24.2-136.0-116.4 131.6 -13.6 -36.2 3.4 68 121 A A S S- 0 0 0 -62,-0.8 28,-0.4 -2,-0.4 -1,-0.1 0.812 85.8 -26.3 -59.3 -34.4 -13.1 -39.7 2.2 69 122 A Y S > S- 0 0 89 27,-0.2 3,-0.8 26,-0.2 4,-0.2 -0.942 92.5 -55.3-167.6 175.7 -9.5 -39.1 2.0 70 123 A P T 3 S+ 0 0 20 0, 0.0 329,-0.1 0, 0.0 328,-0.1 -0.056 109.8 24.1 -66.4 153.7 -7.2 -36.2 1.5 71 124 A D T 3 S+ 0 0 43 1,-0.1 -29,-0.2 327,-0.1 328,-0.0 0.655 81.7 115.5 71.8 12.6 -7.2 -33.7 -1.4 72 125 A R S < S+ 0 0 7 -3,-0.8 3,-0.1 1,-0.1 -1,-0.1 0.828 78.8 49.2 -67.6 -39.9 -10.8 -34.4 -2.0 73 126 A L S S- 0 0 10 1,-0.2 2,-0.3 -4,-0.2 -1,-0.1 0.946 127.3 -26.7 -68.2 -54.6 -11.3 -30.8 -1.0 74 127 A V - 0 0 1 1,-0.1 -1,-0.2 -31,-0.0 -31,-0.2 -0.972 44.2-128.1-152.1 164.1 -8.8 -28.9 -3.1 75 128 A R S S+ 0 0 23 -33,-1.7 2,-0.3 -2,-0.3 -32,-0.2 0.876 95.2 14.3 -81.3 -41.3 -5.4 -29.5 -4.8 76 129 A F S S+ 0 0 45 -34,-0.4 -1,-0.2 1,-0.1 385,-0.0 -0.972 108.7 45.0-133.5 153.6 -3.8 -26.5 -3.2 77 130 A G >> + 0 0 7 -2,-0.3 4,-1.5 384,-0.1 3,-0.7 0.583 52.3 139.8 95.8 12.7 -4.6 -24.2 -0.4 78 131 A F H 3> S+ 0 0 18 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.845 72.3 63.1 -60.3 -29.5 -5.7 -26.6 2.3 79 132 A E H 3> S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.935 100.9 50.1 -61.9 -42.0 -3.8 -24.4 4.7 80 133 A I H <> S+ 0 0 2 -3,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.889 112.3 48.0 -61.9 -40.1 -6.1 -21.5 4.0 81 134 A L H X S+ 0 0 10 -4,-1.5 4,-3.2 2,-0.2 5,-0.3 0.860 105.9 56.3 -65.6 -39.5 -9.1 -23.8 4.5 82 135 A E H X S+ 0 0 65 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.937 112.6 43.4 -61.6 -44.6 -7.7 -25.1 7.7 83 136 A E H X S+ 0 0 12 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.927 112.3 52.0 -62.9 -46.6 -7.6 -21.6 8.9 84 137 A V H < S+ 0 0 1 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.897 116.1 40.6 -62.9 -42.8 -10.9 -20.7 7.5 85 138 A C H ><>S+ 0 0 6 -4,-3.2 5,-2.1 1,-0.2 3,-1.2 0.810 108.0 62.4 -67.8 -34.9 -12.5 -23.7 9.3 86 139 A K H 3<5S+ 0 0 134 -4,-2.3 3,-0.3 -5,-0.3 -2,-0.2 0.737 110.8 38.7 -66.7 -22.8 -10.5 -23.1 12.4 87 140 A A T 3<5S+ 0 0 57 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.221 111.2 62.7-106.9 10.2 -12.1 -19.7 12.9 88 141 A H T < 5S- 0 0 13 -3,-1.2 -1,-0.2 2,-0.2 -2,-0.1 -0.060 116.0-100.4-126.7 33.3 -15.5 -20.9 11.8 89 142 A G T 5S+ 0 0 42 -3,-0.3 2,-0.4 1,-0.2 -3,-0.2 0.842 80.1 138.2 57.4 39.4 -16.3 -23.5 14.4 90 143 A C < - 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0 0 11 -5,-1.6 2,-0.4 -6,-0.1 -26,-0.3 -0.773 43.3-152.6-110.9 153.7 -12.9 -7.1 3.2 509 144 D E E -l 482 0D 95 -28,-0.9 -26,-3.5 -2,-0.3 2,-0.7 -0.937 9.8-140.2-126.1 138.9 -11.9 -6.2 -0.3 510 145 D I E -l 483 0D 38 -2,-0.4 2,-0.5 -28,-0.2 -26,-0.2 -0.893 19.3-170.3-104.4 112.2 -9.0 -7.2 -2.4 511 146 D V E -l 484 0D 41 -28,-2.8 -26,-2.4 -2,-0.7 2,-0.5 -0.860 2.1-165.7-101.5 129.7 -7.6 -4.4 -4.4 512 147 D V E -l 485 0D 25 -2,-0.5 -26,-0.2 -28,-0.2 3,-0.2 -0.962 8.0-165.0-120.5 113.7 -5.0 -5.3 -7.0 513 148 D I S S+ 0 0 43 -28,-2.4 2,-0.4 -2,-0.5 -27,-0.2 0.728 81.1 36.2 -80.9 -17.5 -3.0 -2.5 -8.4 514 149 D N S S- 0 0 53 -28,-1.0 2,-1.9 -29,-0.3 -1,-0.2 -0.915 72.1-153.0-134.5 110.4 -1.5 -4.4 -11.4 515 150 D Q + 0 0 159 -2,-0.4 2,-0.3 -3,-0.2 -28,-0.1 -0.437 60.2 83.4 -84.4 69.5 -3.8 -6.9 -13.0 516 151 D E S S- 0 0 89 -2,-1.9 -27,-0.5 2,-0.0 2,-0.4 -0.962 71.3-115.1-156.7 165.5 -1.1 -9.2 -14.4 517 152 D D - 0 0 32 -2,-0.3 2,-0.4 -30,-0.1 -2,-0.0 -0.934 32.4-137.7-105.9 136.5 1.3 -12.1 -13.9 518 153 D K > - 0 0 91 -2,-0.4 4,-1.6 1,-0.1 3,-0.1 -0.796 15.5-128.0 -97.7 139.9 5.0 -11.2 -14.2 519 154 D E H > S+ 0 0 67 -2,-0.4 4,-1.9 1,-0.2 5,-0.2 0.872 98.1 47.2 -62.7 -50.1 7.1 -13.7 -16.1 520 155 D E H > S+ 0 0 85 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.906 113.6 52.0 -61.9 -37.8 10.1 -14.6 -14.1 521 156 D E H > S+ 0 0 22 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.865 106.7 52.9 -63.8 -38.5 7.9 -15.1 -11.1 522 157 D L H X S+ 0 0 0 -4,-1.6 4,-1.7 -3,-0.2 -1,-0.2 0.910 107.6 50.6 -64.0 -42.9 5.6 -17.4 -13.0 523 158 D V H X S+ 0 0 28 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.890 106.7 53.4 -63.3 -41.0 8.4 -19.7 -14.2 524 159 D E H X S+ 0 0 45 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.901 107.1 54.4 -60.6 -41.1 9.8 -20.1 -10.7 525 160 D D H X S+ 0 0 1 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.890 106.2 49.7 -63.1 -41.9 6.4 -21.2 -9.6 526 161 D L H X S+ 0 0 2 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.911 106.8 56.3 -62.4 -40.9 6.1 -23.9 -12.2 527 162 D V H X S+ 0 0 26 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.919 107.4 47.9 -62.0 -42.9 9.4 -25.3 -11.3 528 163 D S H X S+ 0 0 51 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.921 111.8 49.0 -62.7 -44.4 8.5 -25.7 -7.6 529 164 D I H X S+ 0 0 6 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.929 111.9 49.9 -61.7 -42.8 5.3 -27.4 -8.4 530 165 D L H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.908 109.5 52.1 -62.5 -39.5 7.1 -29.7 -10.8 531 166 D V H X S+ 0 0 76 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.919 111.8 45.5 -62.1 -44.2 9.6 -30.4 -8.1 532 167 D S H X S+ 0 0 58 -4,-2.6 4,-1.8 1,-0.2 3,-0.4 0.942 110.5 51.5 -63.9 -46.8 6.9 -31.4 -5.6 533 168 D F H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.838 105.7 58.9 -60.1 -34.0 4.9 -33.5 -8.0 534 169 D S H X S+ 0 0 12 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.909 104.9 47.7 -63.7 -42.4 8.1 -35.3 -8.8 535 170 D G H X S+ 0 0 46 -4,-1.3 4,-2.5 -3,-0.4 -1,-0.2 0.884 112.1 48.8 -64.6 -41.3 8.7 -36.4 -5.2 536 171 D K H X S+ 0 0 90 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.864 112.4 49.7 -65.7 -39.7 5.2 -37.6 -4.8 537 172 D L H <>S+ 0 0 1 -4,-2.1 5,-3.0 -5,-0.2 3,-0.2 0.927 115.2 41.9 -66.9 -46.2 5.4 -39.5 -8.0 538 173 D Y H ><5S+ 0 0 42 -4,-2.4 3,-2.0 3,-0.2 -2,-0.2 0.869 108.6 61.3 -63.5 -39.4 8.7 -41.1 -7.0 539 174 D G H 3<5S+ 0 0 32 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.802 110.0 40.6 -61.7 -32.8 7.4 -41.7 -3.6 540 175 D M T 3<5S- 0 0 62 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.231 113.2-117.4 -98.6 11.8 4.7 -43.8 -5.0 541 176 D R T < 5 - 0 0 42 -3,-2.0 -3,-0.2 1,-0.1 -309,-0.2 0.876 47.1-169.4 56.7 37.5 6.9 -45.5 -7.5 542 177 D S > < - 0 0 16 -5,-3.0 3,-0.8 -6,-0.1 4,-0.2 -0.256 29.7-127.4 -64.3 146.2 4.8 -44.0 -10.2 543 178 D H T 3 S+ 0 0 85 1,-0.2 3,-0.3 -3,-0.1 -1,-0.1 0.757 103.8 48.8 -63.3 -24.9 5.3 -45.2 -13.8 544 179 D K T >> S+ 0 0 50 1,-0.2 3,-1.0 2,-0.1 4,-0.7 0.531 72.7 102.1 -96.5 -5.3 5.7 -41.6 -15.0 545 180 D Y H X> + 0 0 62 -3,-0.8 4,-1.3 1,-0.3 3,-0.6 0.748 68.3 72.6 -57.6 -28.0 8.2 -39.9 -12.7 546 181 D E H 3> S+ 0 0 158 -3,-0.3 4,-1.0 1,-0.3 3,-0.4 0.894 96.7 48.6 -59.2 -47.0 11.1 -40.1 -15.1 547 182 D K H <> S+ 0 0 60 -3,-1.0 4,-1.6 1,-0.2 3,-0.3 0.818 102.6 62.0 -62.8 -36.4 9.9 -37.5 -17.5 548 183 D V H