==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN, GENE REGULATION 07-NOV-08 3F72 . COMPND 2 MOLECULE: CADMIUM EFFLUX SYSTEM ACCESSORY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.KANDEGEDARA,S.THIYAGARAJAN,K.C.KONDAPALLI,T.L.STEMMLER, . 621 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 466 75.0 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 . 39 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 17 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 335 53.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.1 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 2 5 3 0 2 14 5 4 1 0 0 0 0 0 0 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 . 2 5 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 9 A I 0 0 177 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.8 9.6 29.7 18.9 2 10 A F + 0 0 222 2,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.196 360.0 72.7-106.5 33.8 11.9 27.0 17.6 3 11 A G S S- 0 0 44 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.308 84.4 -81.5-138.9-156.8 10.2 27.4 14.3 4 12 A Y S S- 0 0 98 -2,-0.1 5,-0.1 1,-0.1 -2,-0.1 -0.900 85.9 -37.9-142.7 109.1 9.7 29.3 11.3 5 13 A D S > S+ 0 0 71 -2,-0.4 4,-1.6 1,-0.1 3,-0.4 0.857 75.6 170.6 46.9 47.0 7.4 32.3 10.7 6 14 A E H > + 0 0 48 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.646 62.8 56.2 -65.6 -27.7 5.0 30.5 12.9 7 15 A E H > S+ 0 0 119 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.906 110.9 43.6 -70.1 -46.2 2.4 33.3 13.3 8 16 A K H > S+ 0 0 63 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.873 114.5 49.8 -66.5 -40.5 1.8 33.7 9.6 9 17 A V H X S+ 0 0 0 -4,-1.6 4,-3.4 2,-0.2 -2,-0.2 0.892 111.8 49.3 -71.8 -49.1 1.7 29.9 8.9 10 18 A N H X S+ 0 0 81 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.895 113.3 46.7 -51.3 -47.9 -0.8 29.5 11.8 11 19 A R H X S+ 0 0 66 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.841 114.1 45.3 -73.2 -31.0 -2.9 32.3 10.4 12 20 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.911 112.2 52.9 -82.6 -33.3 -2.8 31.0 6.8 13 21 A Q H X S+ 0 0 65 -4,-3.4 4,-1.5 2,-0.2 -2,-0.2 0.803 108.1 50.8 -58.2 -41.6 -3.5 27.5 7.9 14 22 A G H X S+ 0 0 16 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.892 109.8 50.9 -59.5 -49.3 -6.6 28.9 9.9 15 23 A D H >< S+ 0 0 10 -4,-2.0 3,-1.2 1,-0.2 4,-0.3 0.905 107.5 52.4 -51.5 -44.6 -7.8 30.7 6.6 16 24 A L H >< S+ 0 0 17 -4,-2.0 3,-1.6 1,-0.3 5,-0.4 0.875 101.9 59.2 -60.8 -47.2 -7.4 27.5 4.7 17 25 A Q H 3< S+ 0 0 119 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.581 100.4 61.1 -52.4 -17.0 -9.6 25.6 7.3 18 26 A T T << S+ 0 0 5 -3,-1.2 324,-0.3 -4,-0.5 2,-0.3 0.589 101.3 55.8 -85.6 -11.7 -12.4 28.2 6.4 19 27 A V S < S- 0 0 2 -3,-1.6 2,-1.3 -4,-0.3 3,-0.2 -0.857 85.7-112.1-129.4 161.4 -12.7 27.3 2.7 20 28 A D > + 0 0 71 -2,-0.3 4,-1.7 320,-0.3 -3,-0.1 -0.637 44.2 160.2 -91.8 76.2 -13.5 24.1 0.7 21 29 A I H > S+ 0 0 7 -2,-1.3 4,-1.7 -5,-0.4 -1,-0.2 0.850 75.2 55.7 -68.7 -34.8 -10.1 23.7 -1.0 22 30 A S H > S+ 0 0 49 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.931 107.4 49.2 -54.7 -50.7 -10.9 20.0 -1.6 23 31 A G H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.832 108.0 54.8 -60.8 -33.5 -14.1 21.0 -3.4 24 32 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.888 105.0 50.7 -72.6 -36.5 -12.2 23.6 -5.5 25 33 A S H X S+ 0 0 5 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.863 110.0 53.9 -58.7 -42.9 -9.7 21.0 -6.8 26 34 A Q H X S+ 0 0 100 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.954 112.3 41.7 -55.4 -53.1 -12.8 18.9 -7.8 27 35 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.944 116.4 47.3 -65.7 -42.9 -14.4 21.7 -9.8 28 36 A L H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.845 111.0 53.3 -67.0 -28.4 -11.2 22.8 -11.4 29 37 A K H X S+ 0 0 103 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.914 106.8 52.3 -71.2 -38.5 -10.4 19.1 -12.2 30 38 A A H >< S+ 0 0 4 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.965 117.2 38.3 -55.3 -58.0 -13.8 18.7 -13.9 31 39 A I H 3< S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.758 105.4 67.4 -61.6 -30.5 -13.2 21.8 -16.1 32 40 A A H 3< S+ 0 0 7 -4,-1.8 -1,-0.2 -5,-0.2 105,-0.2 0.711 71.5 105.2 -72.4 -25.3 -9.4 21.2 -16.8 33 41 A D S S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.921 111.5 36.3 -52.5 -56.2 -9.3 18.8 -22.6 35 43 A N H > S+ 0 0 39 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.946 116.4 54.3 -69.7 -42.8 -12.8 17.8 -23.8 36 44 A R H > S+ 0 0 34 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.871 107.2 49.8 -54.5 -33.2 -14.5 19.1 -20.7 37 45 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.905 108.8 53.0 -76.0 -46.0 -13.0 22.5 -21.2 38 46 A K H X S+ 0 0 67 -4,-2.0 4,-2.5 -5,-0.3 5,-0.2 0.938 111.0 48.9 -47.5 -47.4 -14.1 22.4 -24.9 39 47 A I H X S+ 0 0 3 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.941 111.2 47.1 -63.2 -39.6 -17.6 21.7 -23.5 40 48 A T H < S+ 0 0 0 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.915 112.8 51.1 -71.9 -38.3 -17.6 24.5 -21.0 41 49 A Y H >X S+ 0 0 19 -4,-3.0 3,-2.0 1,-0.2 4,-1.1 0.946 106.2 51.3 -66.2 -49.3 -16.4 26.8 -23.6 42 50 A A H >X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.3 3,-0.7 0.882 106.4 57.2 -48.2 -39.8 -19.0 25.9 -26.1 43 51 A L H 3< S+ 0 0 2 -4,-2.0 48,-0.4 1,-0.2 -1,-0.3 0.612 100.1 59.5 -73.7 -6.4 -21.7 26.5 -23.4 44 52 A C H <4 S+ 0 0 4 -3,-2.0 -1,-0.2 -4,-0.5 -2,-0.2 0.837 110.6 41.2 -85.3 -29.3 -20.2 30.1 -23.0 45 53 A Q H << S+ 0 0 85 -4,-1.1 2,-0.3 -3,-0.7 -2,-0.2 0.792 123.6 29.0 -92.6 -31.7 -21.0 30.7 -26.7 46 54 A D S < S- 0 0 29 -4,-2.1 -1,-0.2 1,-0.1 3,-0.1 -0.988 72.9-133.4-131.3 143.8 -24.5 29.1 -27.0 47 55 A E S S+ 0 0 145 -2,-0.3 44,-0.4 1,-0.2 2,-0.3 0.921 84.7 18.1 -65.2 -49.0 -27.1 28.7 -24.2 48 56 A E + 0 0 61 42,-0.1 2,-0.3 40,-0.0 42,-0.2 -0.956 57.1 173.9-132.1 140.1 -28.1 25.1 -24.7 49 57 A L B -A 89 0A 0 40,-1.4 40,-2.3 -2,-0.3 2,-0.2 -0.966 24.6-133.4-136.4 147.5 -26.6 22.1 -26.5 50 58 A C > - 0 0 8 -2,-0.3 4,-1.8 38,-0.2 3,-0.3 -0.582 35.7-100.4 -98.4 176.7 -27.9 18.4 -26.5 51 59 A V H > S+ 0 0 24 36,-0.4 4,-3.9 1,-0.2 5,-0.2 0.917 122.2 55.7 -65.6 -35.4 -25.5 15.6 -25.9 52 60 A C H > S+ 0 0 41 2,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.851 103.9 53.6 -61.7 -41.8 -25.3 14.7 -29.7 53 61 A D H > S+ 0 0 5 -3,-0.3 4,-5.4 2,-0.2 5,-0.2 0.971 113.8 45.5 -48.5 -55.1 -24.2 18.4 -30.5 54 62 A I H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 6,-0.3 0.942 110.6 50.1 -55.7 -54.3 -21.4 17.8 -27.9 55 63 A A H X>S+ 0 0 4 -4,-3.9 5,-2.7 -5,-0.2 4,-1.1 0.953 119.3 40.3 -49.0 -44.2 -20.5 14.4 -29.2 56 64 A N H ><5S+ 0 0 53 -4,-2.8 3,-0.5 3,-0.2 -2,-0.2 0.950 111.2 54.6 -77.9 -48.1 -20.3 16.0 -32.7 57 65 A I H 3<5S+ 0 0 10 -4,-5.4 -3,-0.2 1,-0.2 -1,-0.2 0.949 120.2 35.4 -40.3 -51.4 -18.6 19.3 -31.6 58 66 A L H 3<5S- 0 0 27 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.603 106.9-124.5 -80.0 -19.5 -15.8 17.2 -30.0 59 67 A G T <<5 + 0 0 61 -4,-1.1 2,-0.3 -3,-0.5 -3,-0.2 0.878 67.4 128.5 69.9 42.6 -15.8 14.4 -32.5 60 68 A V < - 0 0 37 -5,-2.7 -1,-0.2 -6,-0.3 -2,-0.1 -0.835 66.4 -90.9-123.0 160.3 -16.4 11.8 -29.8 61 69 A T > - 0 0 99 -2,-0.3 4,-2.0 1,-0.1 -1,-0.1 -0.285 40.5-115.2 -53.7 157.2 -18.9 8.8 -29.3 62 70 A I H > S+ 0 0 83 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.766 118.8 58.7 -63.5 -35.0 -22.1 9.8 -27.4 63 71 A A H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.957 106.3 48.5 -63.2 -43.4 -21.1 7.5 -24.5 64 72 A N H > S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.952 113.1 48.4 -58.0 -46.5 -17.8 9.6 -24.3 65 73 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.852 109.4 50.1 -62.5 -44.8 -19.9 12.8 -24.3 66 74 A S H X S+ 0 0 33 -4,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.865 108.7 54.0 -59.6 -40.7 -22.4 11.6 -21.6 67 75 A H H X S+ 0 0 88 -4,-2.1 4,-2.3 -5,-0.2 3,-0.4 0.962 110.6 45.8 -58.3 -50.8 -19.5 10.6 -19.4 68 76 A H H X S+ 0 0 11 -4,-2.0 4,-1.6 1,-0.3 -1,-0.2 0.799 112.6 51.2 -61.0 -33.7 -18.0 14.1 -19.6 69 77 A L H X S+ 0 0 2 -4,-1.8 4,-1.7 2,-0.2 -1,-0.3 0.775 106.3 52.5 -77.3 -27.7 -21.2 15.7 -19.1 70 78 A R H >X S+ 0 0 136 -4,-1.5 4,-2.5 -3,-0.4 3,-0.6 0.976 108.7 52.0 -69.5 -56.8 -22.0 13.7 -15.9 71 79 A T H 3X S+ 0 0 36 -4,-2.3 4,-1.0 1,-0.3 6,-0.2 0.882 111.7 47.0 -39.3 -46.7 -18.7 14.7 -14.5 72 80 A L H 3<>S+ 0 0 0 -4,-1.6 5,-2.5 1,-0.2 6,-1.1 0.863 110.9 51.9 -66.0 -36.9 -19.5 18.3 -15.3 73 81 A Y H X<5S+ 0 0 116 -4,-1.7 3,-0.7 -3,-0.6 -2,-0.2 0.860 102.7 55.6 -71.1 -46.1 -23.0 18.1 -13.8 74 82 A K H 3<5S+ 0 0 145 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.845 111.7 45.9 -57.8 -35.6 -21.9 16.6 -10.4 75 83 A Q T 3<5S- 0 0 36 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.532 115.6-115.2 -87.7 -6.6 -19.6 19.6 -9.9 76 84 A G T < 5S+ 0 0 24 -3,-0.7 -3,-0.2 -4,-0.4 20,-0.1 0.583 81.8 124.7 82.2 12.1 -22.2 22.1 -11.0 77 85 A V S > - 0 0 26 -16,-0.3 3,-1.2 1,-0.1 4,-0.9 -0.727 65.1 -88.9 158.4 153.5 -23.9 29.6 -13.6 94 102 A E H 3> S+ 0 0 119 1,-0.2 4,-2.0 -2,-0.2 3,-0.3 0.805 118.3 70.4 -49.8 -32.6 -22.4 32.9 -14.5 95 103 A A H 3> S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 96.5 52.2 -44.7 -49.3 -19.4 32.0 -12.2 96 104 A I H <> S+ 0 0 0 -3,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.791 105.4 52.6 -66.2 -33.3 -18.4 29.3 -14.8 97 105 A R H X S+ 0 0 66 -4,-0.9 4,-2.1 -3,-0.3 -1,-0.2 0.882 110.5 49.7 -68.0 -39.7 -18.4 31.8 -17.7 98 106 A Q H X S+ 0 0 63 -4,-2.0 4,-2.9 2,-0.2 5,-0.5 0.941 106.8 54.4 -60.6 -48.6 -16.1 34.0 -15.6 99 107 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.951 115.3 39.0 -54.1 -50.1 -13.7 31.1 -14.8 100 108 A M H X S+ 0 0 3 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.856 116.7 48.3 -66.7 -41.3 -13.3 30.3 -18.5 101 109 A M H X S+ 0 0 69 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.901 114.2 45.3 -78.2 -36.7 -13.2 33.9 -19.8 102 110 A I H X S+ 0 0 22 -4,-2.9 4,-3.5 2,-0.2 -2,-0.2 0.923 113.8 51.1 -62.2 -47.6 -10.6 35.1 -17.2 103 111 A A H X S+ 0 0 2 -4,-2.1 4,-1.9 -5,-0.5 -2,-0.2 0.981 111.4 48.0 -52.1 -61.5 -8.6 31.9 -17.9 104 112 A L H X S+ 0 0 10 -4,-3.0 4,-0.5 1,-0.2 -2,-0.2 0.928 113.3 46.9 -36.7 -66.5 -8.8 32.8 -21.6 105 113 A A H >< S+ 0 0 66 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.880 108.8 56.5 -48.4 -48.2 -7.7 36.5 -21.0 106 114 A H H 3< S+ 0 0 49 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.948 99.2 55.5 -50.9 -56.7 -4.8 35.4 -18.7 107 115 A K H 3< 0 0 78 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.615 360.0 360.0 -60.1 -8.2 -3.0 33.1 -21.2 108 116 A K << 0 0 159 -3,-1.2 -3,-0.0 -4,-0.5 0, 0.0 -0.449 360.0 360.0 -85.7 360.0 -3.0 36.3 -23.5 109 !* 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 0.0 110 10 B F 0 0 253 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -78.4 -27.6 14.9 -44.0 111 11 B G - 0 0 56 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.220 360.0 -49.3-145.4-131.4 -25.6 14.2 -40.7 112 12 B Y S S- 0 0 100 -2,-0.1 5,-0.1 1,-0.1 -56,-0.1 -0.775 94.5 -41.3-137.3 116.7 -26.4 16.0 -37.3 113 13 B D S > S+ 0 0 70 -2,-0.4 4,-3.0 3,-0.1 5,-0.2 0.900 78.0 170.6 47.3 48.0 -26.8 19.7 -36.6 114 14 B E H > + 0 0 56 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.658 63.6 45.0 -67.5 -31.0 -23.8 20.2 -38.9 115 15 B E H > S+ 0 0 171 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.804 116.7 46.6 -87.7 -34.3 -23.7 23.9 -39.4 116 16 B K H > S+ 0 0 59 2,-0.2 4,-2.5 -3,-0.2 5,-0.3 0.956 114.5 47.3 -66.9 -55.3 -24.2 24.6 -35.7 117 17 B V H X S+ 0 0 1 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.914 115.5 48.3 -40.7 -48.4 -21.6 22.0 -34.8 118 18 B N H X S+ 0 0 97 -4,-1.4 4,-0.9 -5,-0.2 -2,-0.2 0.824 108.2 51.6 -69.8 -39.1 -19.3 23.6 -37.5 119 19 B R H >X S+ 0 0 111 -4,-2.1 4,-1.8 2,-0.2 3,-1.4 0.979 113.1 45.3 -53.7 -68.4 -19.8 27.1 -36.3 120 20 B I H 3X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.3 -2,-0.2 0.839 107.9 56.4 -48.3 -39.3 -18.9 26.1 -32.7 121 21 B Q H 3X S+ 0 0 69 -4,-2.5 4,-0.6 -5,-0.3 -1,-0.3 0.824 108.0 51.8 -61.9 -26.6 -15.9 24.0 -33.9 122 22 B G H < S+ 0 0 38 -4,-1.8 3,-2.5 1,-0.2 4,-0.3 0.987 111.4 53.4 -46.3 -64.1 -15.1 29.4 -32.3 124 24 B L H >< S+ 0 0 8 -4,-2.5 3,-0.9 1,-0.3 5,-0.4 0.719 102.6 57.6 -49.0 -27.7 -13.2 26.7 -30.4 125 25 B Q H 3< S+ 0 0 160 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.643 101.3 54.2 -83.8 -16.6 -10.4 26.8 -32.9 126 26 B T T << S+ 0 0 124 -3,-2.5 2,-0.4 -4,-0.6 -1,-0.3 0.349 100.9 75.4 -89.4 2.2 -9.7 30.5 -32.4 127 27 B V S < S- 0 0 31 -3,-0.9 2,-2.0 -4,-0.3 3,-0.4 -0.865 84.0-121.3-123.9 145.4 -9.3 30.1 -28.6 128 28 B D > + 0 0 62 -2,-0.4 4,-1.6 1,-0.2 3,-0.3 -0.370 51.7 148.3 -85.7 68.3 -6.6 28.7 -26.5 129 29 B I H > S+ 0 0 7 -2,-2.0 4,-2.3 -5,-0.4 5,-0.3 0.903 71.7 58.7 -63.1 -40.7 -8.7 26.0 -24.8 130 30 B S H > S+ 0 0 85 -3,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.890 106.3 45.8 -54.8 -45.4 -5.6 23.9 -24.7 131 31 B G H > S+ 0 0 5 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.799 111.1 53.6 -67.7 -33.2 -3.7 26.5 -22.6 132 32 B V H X S+ 0 0 0 -4,-1.6 4,-3.1 1,-0.2 5,-0.3 0.913 106.3 51.6 -64.3 -46.1 -6.7 27.1 -20.3 133 33 B S H X S+ 0 0 11 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.876 108.0 53.6 -62.2 -32.3 -6.9 23.4 -19.5 134 34 B Q H X S+ 0 0 87 -4,-1.1 4,-1.4 -5,-0.3 -1,-0.2 0.884 110.9 46.0 -68.9 -37.9 -3.1 23.5 -18.7 135 35 B I H X S+ 0 0 2 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.920 112.7 47.4 -69.7 -52.7 -3.6 26.4 -16.2 136 36 B L H X S+ 0 0 0 -4,-3.1 4,-3.5 2,-0.2 -2,-0.2 0.865 111.5 53.2 -61.2 -33.5 -6.6 24.9 -14.5 137 37 B K H X S+ 0 0 116 -4,-1.7 4,-0.7 -5,-0.3 -1,-0.2 0.901 108.4 50.9 -67.7 -36.3 -4.7 21.5 -14.3 138 38 B A H >< S+ 0 0 4 -4,-1.4 3,-0.5 1,-0.2 -2,-0.2 0.966 117.5 37.5 -65.1 -48.6 -1.9 23.3 -12.7 139 39 B I H 3< S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.885 103.5 73.3 -70.6 -37.3 -4.1 24.9 -10.1 140 40 B A H 3< + 0 0 0 -4,-3.5 2,-0.3 -5,-0.2 -111,-0.2 0.688 66.1 99.6 -63.2 -19.2 -6.5 22.0 -9.5 141 41 B D S XX S- 0 0 46 -4,-0.7 4,-2.5 -3,-0.5 3,-0.6 -0.515 80.2-123.9 -71.8 136.0 -4.2 19.6 -7.5 142 42 B E H 3> S+ 0 0 80 -2,-0.3 4,-1.4 1,-0.3 -1,-0.1 0.733 106.3 43.9 -54.7 -39.3 -5.1 20.0 -3.9 143 43 B N H 3> S+ 0 0 46 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.872 117.2 46.0 -76.3 -36.4 -1.7 20.9 -2.6 144 44 B R H <> S+ 0 0 33 -3,-0.6 4,-2.9 2,-0.2 -2,-0.2 0.797 109.8 55.1 -70.0 -35.2 -1.1 23.3 -5.4 145 45 B A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.797 109.6 49.0 -64.9 -34.8 -4.7 24.7 -4.9 146 46 B K H X S+ 0 0 67 -4,-1.4 4,-1.9 -5,-0.3 -2,-0.2 0.836 110.2 47.8 -68.3 -43.9 -3.6 25.3 -1.3 147 47 B I H X S+ 0 0 2 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.932 113.9 51.0 -63.5 -46.2 -0.3 27.0 -2.4 148 48 B T H >< S+ 0 0 0 -4,-2.9 3,-1.1 1,-0.2 4,-0.3 0.956 112.7 43.0 -56.4 -54.8 -2.5 29.1 -4.8 149 49 B Y H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.3 4,-0.4 0.794 108.8 57.2 -55.9 -42.8 -5.0 30.1 -2.1 150 50 B A H 3X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 3,-0.3 0.727 104.8 53.6 -63.0 -29.2 -2.3 30.9 0.4 151 51 B L T << S+ 0 0 2 -4,-1.2 48,-0.5 -3,-1.1 -1,-0.2 0.399 100.4 61.5 -82.1 -6.1 -0.8 33.4 -2.2 152 52 B C T <4 S+ 0 0 8 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.611 106.9 46.7 -85.2 -16.2 -4.2 35.0 -2.4 153 53 B Q T 4 S+ 0 0 34 -4,-0.4 2,-0.4 -3,-0.3 -2,-0.2 0.757 117.5 34.7 -96.6 -41.2 -3.8 35.8 1.4 154 54 B D S < S- 0 0 33 -4,-1.2 -1,-0.2 1,-0.1 3,-0.1 -0.959 73.2-132.6-121.8 146.9 -0.3 37.2 1.5 155 55 B E S S+ 0 0 166 -2,-0.4 44,-0.4 1,-0.2 2,-0.3 0.877 90.9 9.0 -55.5 -40.1 1.4 39.2 -1.1 156 56 B E + 0 0 40 42,-0.1 2,-0.3 -3,-0.1 42,-0.2 -0.986 61.7 176.3-150.1 146.0 4.5 37.0 -0.9 157 57 B L E -C 197 0B 0 40,-2.1 40,-2.0 -2,-0.3 2,-0.1 -0.985 21.8-128.5-148.9 150.5 5.6 33.8 0.7 158 58 B C E > -C 196 0B 8 -2,-0.3 4,-2.7 38,-0.2 5,-0.2 -0.480 33.2-103.4-100.8 173.5 8.7 31.7 0.6 159 59 B V H > S+ 0 0 24 36,-1.0 4,-2.4 1,-0.2 5,-0.2 0.888 123.9 52.9 -61.5 -32.4 9.2 28.1 -0.1 160 60 B C H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 106.1 49.5 -68.0 -42.9 9.7 27.6 3.7 161 61 B D H > S+ 0 0 6 1,-0.2 4,-3.3 2,-0.2 -2,-0.2 0.972 114.3 50.9 -56.3 -47.9 6.4 29.4 4.7 162 62 B I H X S+ 0 0 3 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.843 109.1 45.4 -61.8 -46.0 4.8 27.1 2.1 163 63 B A H X>S+ 0 0 5 -4,-2.4 5,-2.7 2,-0.2 4,-1.9 0.903 116.2 48.6 -62.3 -47.7 6.2 23.8 3.3 164 64 B N H <5S+ 0 0 51 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.925 112.3 47.3 -61.0 -41.1 5.3 24.8 6.8 165 65 B I H <5S+ 0 0 10 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.925 119.4 40.4 -62.9 -46.0 1.8 25.8 5.9 166 66 B L H <5S- 0 0 28 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.737 107.1-127.4 -75.2 -20.7 1.3 22.6 3.9 167 67 B G T <5 + 0 0 65 -4,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.906 67.4 126.3 73.7 41.3 3.1 20.5 6.5 168 68 B V < - 0 0 38 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.811 67.6 -85.7-126.6 170.4 5.4 19.1 3.9 169 69 B T > - 0 0 95 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.350 39.0-116.7 -65.1 149.5 9.1 18.8 3.2 170 70 B I H > S+ 0 0 93 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.885 116.9 54.5 -47.1 -39.3 10.9 21.7 1.6 171 71 B A H > S+ 0 0 76 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.822 107.7 48.5 -62.8 -43.2 11.7 19.5 -1.4 172 72 B N H > S+ 0 0 68 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.883 110.8 50.0 -70.4 -36.8 8.0 18.6 -1.8 173 73 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.884 108.3 56.1 -63.8 -32.5 6.9 22.3 -1.6 174 74 B S H X S+ 0 0 49 -4,-1.5 4,-1.7 1,-0.3 -1,-0.2 0.790 105.5 50.5 -76.2 -28.3 9.6 23.2 -4.3 175 75 B H H X S+ 0 0 124 -4,-1.1 4,-2.3 2,-0.2 -1,-0.3 0.891 110.2 46.7 -80.4 -40.4 8.3 20.7 -6.7 176 76 B H H X S+ 0 0 22 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.904 114.2 50.9 -70.5 -31.2 4.7 21.9 -6.5 177 77 B L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.853 107.6 50.8 -71.6 -35.7 6.0 25.4 -6.8 178 78 B R H X S+ 0 0 148 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.957 111.6 49.4 -55.6 -51.7 8.1 24.6 -9.9 179 79 B T H X S+ 0 0 35 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.915 113.6 46.2 -57.3 -46.8 5.0 23.1 -11.4 180 80 B L H <>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 6,-0.7 0.880 112.6 50.0 -63.1 -43.0 2.9 26.2 -10.6 181 81 B Y H ><5S+ 0 0 112 -4,-2.5 3,-2.2 4,-0.2 -2,-0.2 0.914 102.5 59.2 -67.2 -42.0 5.6 28.5 -11.9 182 82 B K H 3<5S+ 0 0 129 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.788 109.4 47.7 -55.5 -24.0 6.0 26.7 -15.3 183 83 B Q T 3<5S- 0 0 54 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.423 117.8-109.5 -98.1 6.1 2.4 27.4 -15.9 184 84 B G T < 5S+ 0 0 29 -3,-2.2 -3,-0.2 2,-0.2 -2,-0.1 0.639 84.7 121.7 88.1 2.0 2.4 31.0 -14.9 185 85 B V S > - 0 0 26 -16,-0.3 3,-1.1 1,-0.1 4,-0.9 -0.895 64.5 -89.0 167.7 161.8 -1.6 37.7 -11.7 202 102 B E H 3> S+ 0 0 109 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.766 117.5 70.0 -60.9 -31.8 -5.1 38.9 -10.4 203 103 B A H 3> S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.816 96.3 53.2 -55.5 -27.4 -6.7 36.5 -12.8 204 104 B I H <> S+ 0 0 1 -3,-1.1 4,-1.5 2,-0.2 5,-0.2 0.932 105.8 52.3 -85.8 -34.5 -5.4 33.7 -10.7 205 105 B R H X S+ 0 0 36 -4,-0.9 4,-2.7 1,-0.2 5,-0.2 0.953 111.5 48.2 -54.6 -47.7 -7.0 35.3 -7.6 206 106 B Q H X S+ 0 0 88 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.844 106.5 53.1 -66.8 -35.1 -10.3 35.4 -9.4 207 107 B I H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.892 115.1 43.0 -66.8 -38.1 -10.4 31.9 -10.7 208 108 B M H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.953 117.3 44.7 -72.2 -52.9 -9.8 30.5 -7.3 209 109 B M H X S+ 0 0 8 -4,-2.7 4,-2.1 -5,-0.2 5,-0.2 0.926 114.6 48.0 -58.7 -48.6 -12.2 32.9 -5.5 210 110 B I H X S+ 0 0 39 -4,-3.2 4,-3.2 -5,-0.2 5,-0.2 0.938 113.5 49.3 -59.7 -41.4 -15.0 32.4 -8.1 211 111 B A H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.3 -2,-0.2 0.898 111.2 49.2 -65.0 -39.6 -14.5 28.6 -7.9 212 112 B L H X S+ 0 0 3 -4,-2.8 4,-1.0 2,-0.2 -1,-0.2 0.886 113.7 45.1 -60.9 -40.5 -14.6 28.7 -4.1 213 113 B A H < S+ 0 0 11 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.913 110.7 53.4 -78.2 -40.2 -17.8 30.8 -4.1 214 114 B H H < S+ 0 0 12 -4,-3.2 3,-0.2 -5,-0.2 -1,-0.2 0.855 104.5 55.7 -54.1 -34.8 -19.5 28.7 -6.8 215 115 B K H < S+ 0 0 49 -4,-1.4 2,-1.2 1,-0.3 -1,-0.2 0.780 94.3 71.2 -70.6 -26.0 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0 119 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.887 113.6 52.0 -53.9 -36.2 -21.5 24.5 43.9 227 19 C R H X S+ 0 0 122 -4,-2.7 4,-1.9 1,-0.2 3,-0.3 0.962 110.5 43.5 -62.4 -59.3 -18.0 23.9 42.3 228 20 C I H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.735 113.4 54.4 -57.6 -20.5 -19.0 24.7 38.7 229 21 C Q H X S+ 0 0 61 -4,-1.6 4,-1.1 -5,-0.3 -1,-0.2 0.837 103.9 54.1 -83.4 -28.9 -20.9 27.7 40.0 230 22 C G H X S+ 0 0 27 -4,-1.7 4,-0.7 -3,-0.3 3,-0.2 0.913 108.5 50.8 -69.3 -43.5 -17.8 29.0 41.9 231 23 C D H < S+ 0 0 44 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.782 107.0 52.2 -53.6 -40.3 -15.9 28.9 38.5 232 24 C L H >< S+ 0 0 18 -4,-1.0 3,-1.1 1,-0.2 5,-0.4 0.836 103.9 59.7 -70.7 -26.7 -18.5 30.8 36.7 233 25 C Q H 3< S+ 0 0 141 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.694 104.1 48.4 -75.3 -19.9 -18.3 33.4 39.4 234 26 C T T 3< S+ 0 0 64 -4,-0.7 2,-0.4 -3,-0.4 -1,-0.3 0.329 102.1 73.9-100.9 1.7 -14.6 34.2 38.8 235 27 C V S < S- 0 0 34 -3,-1.1 2,-1.6 -4,-0.2 3,-0.2 -0.948 85.3-118.2-124.0 140.7 -14.9 34.5 35.0 236 28 C D >> + 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5,-0.2 0.916 108.4 47.1 -59.1 -49.1 -10.9 38.7 17.5 311 105 C R H X S+ 0 0 46 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.885 111.1 52.4 -57.3 -43.2 -9.3 37.1 14.5 312 106 C Q H X S+ 0 0 69 -4,-3.1 4,-2.6 2,-0.2 5,-0.3 0.932 110.0 48.6 -59.3 -45.8 -9.0 33.7 16.4 313 107 C I H X S+ 0 0 2 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 0.950 113.1 46.2 -63.8 -48.3 -12.7 33.8 17.3 314 108 C M H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.926 117.6 43.0 -61.7 -45.2 -13.9 34.6 13.8 315 109 C M H X S+ 0 0 14 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.818 111.8 51.3 -74.0 -33.7 -11.7 32.0 12.2 316 110 C I H X S+ 0 0 28 -4,-2.6 4,-4.4 -5,-0.2 3,-0.2 0.968 113.8 47.6 -62.0 -48.8 -12.2 29.2 14.7 317 111 C A H X S+ 0 0 0 -4,-2.4 4,-3.9 -5,-0.3 5,-0.3 0.922 111.6 48.3 -53.8 -54.0 -16.0 29.8 14.2 318 112 C L H X S+ 0 0 4 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.778 116.6 43.4 -58.6 -36.0 -15.7 29.8 10.4 319 113 C A H < S+ 0 0 27 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.869 116.5 48.5 -72.2 -44.2 -13.6 26.5 10.5 320 114 C H H < S+ 0 0 45 -4,-4.4 -2,-0.2 2,-0.2 -3,-0.2 0.966 109.8 49.9 -58.5 -50.6 -16.0 25.1 13.1 321 115 C K H < 0 0 57 -4,-3.9 -1,-0.2 -5,-0.2 -3,-0.2 0.799 360.0 360.0 -54.7 -33.7 -19.2 26.0 11.0 322 116 C K < 0 0 136 -4,-0.7 -2,-0.2 -5,-0.3 -3,-0.2 0.898 360.0 360.0 -80.6 360.0 -17.4 24.4 8.0 323 !* 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 0.0 324 10 D F 0 0 244 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.0 -16.4 55.8 -11.7 325 11 D G - 0 0 56 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.043 360.0 -57.8-122.9-144.5 -16.7 54.6 -8.1 326 12 D Y S S- 0 0 99 1,-0.1 5,-0.2 -58,-0.1 -54,-0.0 -0.906 91.7 -42.1-123.5 113.1 -14.9 54.0 -4.8 327 13 D D S > S+ 0 0 66 -2,-0.5 4,-2.8 1,-0.1 5,-0.2 0.807 77.2 172.8 52.9 34.3 -11.8 51.7 -4.2 328 14 D E H > + 0 0 46 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.715 65.3 47.1 -51.3 -42.7 -13.5 49.2 -6.6 329 15 D E H > S+ 0 0 148 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.983 115.4 45.2 -66.8 -58.3 -10.9 46.6 -7.0 330 16 D K H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.921 115.8 48.7 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0 0 68 3,-0.1 4,-1.6 4,-0.0 3,-0.3 0.823 106.2 42.5 -87.0 -48.1 -24.5 36.3 52.9 487 72 E N H >> S+ 0 0 67 1,-0.3 2,-3.6 2,-0.2 4,-1.7 0.989 112.9 56.4 -48.7 -78.4 -25.3 40.1 52.5 488 73 E A H 3< S+ 0 0 0 -4,-1.5 -1,-0.3 1,-0.2 -10,-0.2 -0.335 107.8 48.1 -45.3 62.3 -21.5 40.6 52.5 489 74 E S H 3> S+ 0 0 48 -2,-3.6 4,-2.2 -3,-0.3 -1,-0.2 -0.065 107.3 51.7-165.4 -37.6 -21.1 38.3 49.5 490 75 E H H S+ 0 0 0 -5,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.910 112.4 47.7 -55.6 -39.3 -18.9 41.7 47.1 493 78 E R H X S+ 0 0 48 -4,-2.2 4,-3.7 1,-0.2 -2,-0.2 0.942 110.5 50.7 -72.9 -46.2 -20.1 39.9 43.9 494 79 E T H X S+ 0 0 50 -4,-2.8 4,-0.5 2,-0.2 -1,-0.2 0.867 113.6 45.4 -54.4 -43.5 -21.9 42.9 42.5 495 80 E L H <>S+ 0 0 0 -4,-2.1 5,-1.9 2,-0.2 6,-0.8 0.847 115.4 47.2 -65.8 -37.6 -18.7 45.1 43.1 496 81 E Y H ><5S+ 0 0 56 -4,-1.9 3,-2.2 -5,-0.2 -2,-0.2 0.913 103.2 61.9 -76.1 -38.5 -16.5 42.4 41.6 497 82 E K H 3<5S+ 0 0 110 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.786 111.4 41.7 -53.8 -23.7 -18.9 42.0 38.6 498 83 E Q T 3<5S- 0 0 40 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.411 116.8-111.3-109.4 0.8 -18.1 45.6 37.9 499 84 E G T < 5S+ 0 0 32 -3,-2.2 -3,-0.2 2,-0.3 -2,-0.1 0.409 83.5 123.0 82.3 -0.2 -14.3 45.5 38.6 500 85 E V S > - 0 0 26 -11,-0.4 4,-1.0 1,-0.1 3,-0.8 -0.924 66.3 -71.8 165.4-178.7 -7.5 49.7 41.0 512 102 E E H 3> S+ 0 0 111 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.870 120.5 70.1 -68.2 -33.7 -6.4 53.2 41.9 513 103 E A H 3> S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.877 97.1 53.8 -45.3 -39.0 -9.3 54.6 39.8 514 104 E I H <> S+ 0 0 0 -3,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.939 109.2 46.8 -71.6 -42.4 -11.6 53.2 42.5 515 105 E R H X S+ 0 0 66 -4,-1.0 4,-3.0 2,-0.2 -1,-0.2 0.883 113.1 49.0 -58.1 -49.8 -9.7 55.0 45.4 516 106 E Q H X S+ 0 0 80 -4,-2.5 4,-3.8 2,-0.2 5,-0.2 0.952 110.5 48.8 -56.6 -55.0 -9.7 58.3 43.5 517 107 E I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.909 114.5 47.5 -47.1 -54.0 -13.4 58.2 42.7 518 108 E M H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.926 114.0 45.6 -55.5 -52.5 -14.1 57.4 46.3 519 109 E M H X S+ 0 0 60 -4,-3.0 4,-1.2 2,-0.2 -2,-0.2 0.868 114.0 50.6 -63.9 -35.9 -11.7 60.2 47.6 520 110 E I H X S+ 0 0 36 -4,-3.8 4,-2.1 1,-0.2 3,-0.3 0.947 108.2 51.7 -65.5 -43.0 -13.3 62.7 45.0 521 111 E A H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.810 110.5 48.4 -64.5 -32.4 -16.9 61.9 46.1 522 112 E L H X S+ 0 0 27 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.807 112.8 48.2 -76.1 -30.3 -16.1 62.5 49.8 523 113 E A H < S+ 0 0 63 -4,-1.2 -2,-0.2 -3,-0.3 -3,-0.1 0.974 114.4 41.7 -83.1 -54.2 -14.4 65.8 49.1 524 114 E H H < S+ 0 0 23 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.862 113.6 60.0 -46.9 -43.4 -17.1 67.3 46.8 525 115 E K H < S+ 0 0 30 -4,-1.5 2,-1.3 -5,-0.3 -2,-0.2 0.982 97.9 52.5 -56.1 -77.7 -19.7 65.9 49.2 526 116 E K < 0 0 78 -4,-1.5 -1,-0.2 21,-0.1 -4,-0.0 -0.550 360.0 360.0 -62.0 95.1 -18.8 67.7 52.5 527 117 E E 0 0 200 -2,-1.3 -4,-0.0 0, 0.0 0, 0.0 -0.411 360.0 360.0 162.7 360.0 -18.7 71.3 51.2 528 !* 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 0.0 529 10 F F 0 0 260 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -61.9 -13.7 35.5 71.2 530 11 F G - 0 0 54 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.376 360.0 -56.8-108.0-130.8 -15.1 37.0 67.9 531 12 F Y S S- 0 0 106 1,-0.1 5,-0.2 -56,-0.1 -52,-0.0 -0.844 89.7 -40.7-139.8 116.3 -13.6 37.9 64.5 532 13 F D S > S+ 0 0 53 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 0.929 72.1 174.9 47.3 50.5 -10.6 40.1 63.6 533 14 F E H > + 0 0 65 1,-0.2 4,-1.7 2,-0.2 5,-0.3 0.764 65.6 53.3 -68.3 -24.6 -11.9 42.5 66.2 534 15 F E H > S+ 0 0 120 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.974 113.9 40.2 -64.9 -62.1 -8.9 45.0 66.0 535 16 F K H > S+ 0 0 50 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.903 116.7 51.8 -53.1 -50.9 -9.1 45.6 62.2 536 17 F V H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.893 112.5 40.4 -63.7 -51.8 -12.9 45.6 62.2 537 18 F N H X S+ 0 0 87 -4,-1.7 4,-2.7 -5,-0.2 -1,-0.2 0.854 115.7 55.8 -67.7 -32.0 -13.5 48.2 65.0 538 19 F R H X S+ 0 0 90 -4,-2.0 4,-3.0 -5,-0.3 -2,-0.2 0.951 109.5 41.9 -58.3 -54.4 -10.7 50.2 63.5 539 20 F I H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.868 112.7 56.2 -64.8 -31.3 -12.3 50.3 60.1 540 21 F Q H X S+ 0 0 54 -4,-2.3 4,-1.3 -5,-0.3 -2,-0.2 0.944 106.3 50.6 -62.9 -43.2 -15.6 51.0 61.8 541 22 F G H X S+ 0 0 30 -4,-2.7 4,-0.6 1,-0.2 3,-0.5 0.934 109.1 52.3 -58.6 -52.6 -13.9 54.0 63.5 542 23 F D H >< S+ 0 0 42 -4,-3.0 3,-1.7 1,-0.2 4,-0.3 0.928 106.9 51.0 -40.6 -51.2 -12.7 55.0 60.0 543 24 F L H >< S+ 0 0 26 -4,-2.4 3,-0.7 1,-0.3 5,-0.3 0.742 101.8 62.6 -72.9 -20.7 -16.3 54.9 58.6 544 25 F Q H 3< S+ 0 0 164 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.719 97.7 57.7 -67.8 -19.4 -17.5 57.1 61.4 545 26 F T T << S+ 0 0 109 -3,-1.7 2,-0.3 -4,-0.6 -1,-0.2 0.490 102.2 63.5 -88.3 -1.2 -15.2 60.0 60.2 546 27 F V S < S- 0 0 34 -3,-0.7 2,-0.9 -4,-0.3 3,-0.2 -0.808 79.2-124.0-134.0 151.1 -16.7 60.2 56.7 547 28 F D > + 0 0 85 -2,-0.3 4,-1.1 1,-0.2 -21,-0.1 -0.829 34.4 167.8-104.1 95.0 -20.1 61.0 55.2 548 29 F I H > S+ 0 0 15 -2,-0.9 4,-1.8 -5,-0.3 -1,-0.2 0.848 72.9 63.0 -84.3 -29.6 -20.7 57.9 53.2 549 30 F S H > S+ 0 0 74 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.849 99.1 54.5 -58.3 -43.7 -24.3 58.9 52.6 550 31 F G H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.810 106.5 53.5 -57.0 -38.7 -23.1 62.0 50.7 551 32 F V H X S+ 0 0 0 -4,-1.1 4,-2.8 2,-0.2 5,-0.3 0.949 107.6 48.0 -57.5 -57.0 -21.1 59.8 48.4 552 33 F S H X S+ 0 0 12 -4,-1.8 4,-3.1 1,-0.2 5,-0.2 0.892 112.2 51.6 -49.6 -44.4 -24.0 57.4 47.4 553 34 F Q H X S+ 0 0 100 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.897 112.9 40.8 -75.5 -41.8 -26.1 60.3 46.7 554 35 F I H X S+ 0 0 16 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.877 120.2 44.4 -58.8 -48.7 -23.7 62.2 44.4 555 36 F L H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.854 110.2 56.2 -71.8 -33.2 -22.6 59.0 42.6 556 37 F K H X S+ 0 0 105 -4,-3.1 4,-0.8 -5,-0.3 -1,-0.2 0.890 103.9 54.8 -60.0 -42.9 -26.3 57.9 42.4 557 38 F A H < S+ 0 0 6 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.839 115.5 38.3 -56.2 -38.4 -27.0 61.2 40.6 558 39 F I H < S+ 0 0 0 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.801 99.6 76.5 -81.8 -28.9 -24.4 60.4 38.0 559 40 F A H < + 0 0 12 -4,-2.0 -107,-0.3 -108,-0.2 -1,-0.2 0.687 69.0 102.7 -62.4 -32.6 -25.0 56.7 37.7 560 41 F D S X S- 0 0 53 -4,-0.8 4,-3.6 -3,-0.2 5,-0.3 -0.371 80.3-123.9 -52.9 129.6 -28.2 57.1 35.6 561 42 F E H > S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.835 106.7 36.1 -44.2 -49.4 -27.6 56.4 31.9 562 43 F N H > S+ 0 0 37 2,-0.2 4,-5.4 1,-0.2 -1,-0.2 0.819 117.0 49.7 -81.9 -34.3 -28.8 59.8 30.6 563 44 F R H > S+ 0 0 36 2,-0.3 4,-4.1 3,-0.2 -2,-0.2 0.841 110.6 52.3 -69.7 -31.0 -27.5 61.9 33.4 564 45 F A H X S+ 0 0 1 -4,-3.6 4,-4.3 2,-0.2 -2,-0.2 0.949 114.2 43.5 -61.1 -46.8 -24.2 60.0 32.8 565 46 F K H X S+ 0 0 70 -4,-2.1 4,-3.2 -5,-0.3 5,-0.3 0.971 114.7 47.4 -54.7 -57.1 -24.8 61.2 29.2 566 47 F I H X S+ 0 0 0 -4,-5.4 4,-2.0 1,-0.2 -2,-0.2 0.956 116.2 47.4 -49.7 -51.2 -25.8 64.6 30.4 567 48 F T H < S+ 0 0 4 -4,-4.1 4,-0.4 1,-0.2 -2,-0.2 0.934 112.5 45.4 -60.4 -55.1 -22.7 64.5 32.6 568 49 F Y H >X S+ 0 0 24 -4,-4.3 3,-3.4 2,-0.2 4,-0.7 0.944 109.3 56.9 -48.3 -52.4 -20.2 63.3 29.9 569 50 F A H >X S+ 0 0 11 -4,-3.2 4,-1.4 1,-0.3 3,-1.0 0.897 105.5 51.5 -50.5 -46.2 -21.6 65.8 27.3 570 51 F L H 3< S+ 0 0 6 -4,-2.0 43,-0.4 -5,-0.3 -1,-0.3 0.497 95.2 72.7 -67.7 -5.3 -20.8 68.6 29.7 571 52 F C H <4 S+ 0 0 12 -3,-3.4 -1,-0.2 -4,-0.4 -2,-0.2 0.840 110.1 26.7 -77.9 -34.2 -17.1 67.3 30.2 572 53 F Q H << S+ 0 0 101 -3,-1.0 2,-0.5 -4,-0.7 -2,-0.2 0.873 117.2 54.4 -90.5 -60.9 -16.0 68.5 26.6 573 54 F D S < S- 0 0 45 -4,-1.4 -1,-0.2 1,-0.1 3,-0.1 -0.746 80.5-137.0 -83.9 124.2 -18.3 71.5 25.7 574 55 F E S S+ 0 0 83 -2,-0.5 39,-0.4 1,-0.1 2,-0.3 0.730 78.1 7.9 -53.5 -36.0 -18.1 74.2 28.5 575 56 F E - 0 0 151 37,-0.2 37,-0.2 2,-0.0 2,-0.2 -0.979 62.7-166.0-155.9 133.1 -22.0 75.0 28.6 576 57 F L - 0 0 20 35,-2.8 2,-0.2 -2,-0.3 -6,-0.0 -0.691 16.5-134.2-114.6 167.0 -25.2 73.7 27.2 577 58 F C > - 0 0 41 -2,-0.2 4,-1.4 1,-0.0 -2,-0.0 -0.640 36.5-109.5-105.4 170.4 -28.9 74.8 26.8 578 59 F V H > S+ 0 0 37 -2,-0.2 4,-1.5 2,-0.2 14,-0.1 0.646 116.8 61.4 -78.0 -15.7 -31.6 72.3 27.7 579 60 F C H > S+ 0 0 54 2,-0.2 4,-0.9 3,-0.1 -1,-0.2 0.946 103.3 46.6 -74.6 -51.7 -32.5 72.1 24.0 580 61 F D H >> S+ 0 0 20 1,-0.2 4,-3.4 2,-0.2 3,-1.7 0.963 112.6 53.4 -38.9 -64.7 -29.1 70.7 22.9 581 62 F I H 3X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.3 -2,-0.2 0.824 107.9 47.5 -49.4 -44.3 -29.3 68.3 25.8 582 63 F A H 3<>S+ 0 0 7 -4,-1.5 5,-4.5 2,-0.2 -1,-0.3 0.734 119.0 41.3 -64.5 -23.2 -32.7 66.9 24.7 583 64 F N H X<5S+ 0 0 53 -3,-1.7 3,-1.8 -4,-0.9 -2,-0.2 0.942 111.7 53.1 -98.7 -57.9 -31.6 66.5 21.2 584 65 F I H 3<5S+ 0 0 17 -4,-3.4 -3,-0.2 1,-0.3 -2,-0.2 0.909 118.9 37.8 -25.5 -71.3 -28.1 65.2 22.0 585 66 F L T 3<5S- 0 0 23 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.534 112.6-125.2 -67.3 -12.4 -29.8 62.5 24.2 586 67 F G T < 5 + 0 0 59 -3,-1.8 2,-0.3 1,-0.2 -3,-0.3 0.929 66.3 121.9 60.9 51.3 -32.7 62.2 21.7 587 68 F V < - 0 0 43 -5,-4.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.963 68.3 -77.8-137.5 162.8 -35.4 62.9 24.3 588 69 F T > - 0 0 78 -2,-0.3 4,-2.2 1,-0.1 3,-0.3 -0.029 41.8-117.1 -45.5 146.7 -38.4 65.3 25.0 589 70 F I H > S+ 0 0 99 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.814 118.0 63.8 -58.2 -25.0 -37.5 68.8 26.4 590 71 F A H > S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.885 104.1 39.8 -66.7 -44.4 -39.5 67.3 29.4 591 72 F N H > S+ 0 0 73 -3,-0.3 4,-2.4 2,-0.2 5,-0.3 0.928 114.7 55.6 -70.9 -41.5 -37.1 64.4 30.2 592 73 F A H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.856 110.7 43.1 -56.4 -43.6 -34.2 66.7 29.6 593 74 F S H X S+ 0 0 54 -4,-2.1 4,-1.5 2,-0.2 5,-0.2 0.876 112.2 54.5 -68.4 -43.4 -35.4 69.3 32.2 594 75 F H H X S+ 0 0 132 -4,-1.9 4,-2.1 1,-0.2 3,-0.4 0.953 113.2 41.2 -57.5 -48.2 -36.3 66.6 34.7 595 76 F H H X S+ 0 0 31 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.795 110.5 58.2 -64.0 -35.1 -32.7 65.1 34.5 596 77 F L H < S+ 0 0 0 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.766 110.9 41.6 -70.7 -25.6 -31.1 68.5 34.5 597 78 F R H >X S+ 0 0 49 -4,-1.5 4,-3.6 -3,-0.4 3,-0.6 0.857 108.2 58.7 -86.6 -42.1 -32.8 69.4 37.8 598 79 F T H 3X S+ 0 0 45 -4,-2.1 4,-0.7 1,-0.3 -2,-0.2 0.648 113.2 42.1 -62.7 -14.2 -32.1 65.9 39.4 599 80 F L H 3<>S+ 0 0 0 -4,-0.6 5,-2.2 2,-0.2 6,-1.7 0.531 114.0 51.8-105.7 -21.7 -28.5 66.7 38.7 600 81 F Y H X45S+ 0 0 134 -3,-0.6 3,-2.2 4,-0.2 -2,-0.2 0.905 106.6 51.8 -70.2 -63.5 -28.9 70.3 39.9 601 82 F K H 3<5S+ 0 0 71 -4,-3.6 -3,-0.2 1,-0.3 -2,-0.2 0.970 112.0 49.0 -28.9 -72.6 -30.5 69.3 43.1 602 83 F Q T 3<5S- 0 0 71 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.470 116.1-114.5 -64.8 3.8 -27.5 66.9 43.7 603 84 F G T < 5S+ 0 0 46 -3,-2.2 -3,-0.2 2,-0.2 -1,-0.2 0.570 83.2 119.0 80.0 8.0 -24.9 69.6 42.9 604 85 F V S > - 0 0 36 -11,-0.2 3,-0.9 -9,-0.0 4,-0.8 -0.832 67.1 -81.3-150.5-173.7 -17.1 71.7 39.8 616 102 F E H >> S+ 0 0 126 -2,-0.2 4,-2.9 1,-0.2 3,-0.8 0.905 121.0 70.6 -66.8 -33.9 -13.8 70.1 38.6 617 103 F A H 3> S+ 0 0 29 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.751 94.9 52.1 -44.7 -38.2 -14.6 67.2 40.9 618 104 F I H <> S+ 0 0 8 -3,-0.9 4,-1.5 2,-0.2 -1,-0.3 0.802 111.7 46.7 -81.4 -31.3 -17.4 66.0 38.6 619 105 F R H