==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 17-JUN-01 1JEB . COMPND 2 MOLECULE: HEMOGLOBIN ZETA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.D.KIDD,J.E.RUSSELL,N.J.WATMOUGH,E.N.BAKER,T.BRITTAIN . 571 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 451 79.0 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 . 14 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 343 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 2 0 0 0 1 0 1 0 3 2 5 0 2 3 7 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 . 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 S 0 0 86 0, 0.0 2,-0.5 0, 0.0 127,-0.0 0.000 360.0 360.0 360.0 74.1 -2.4 31.3 -21.0 2 2 A L - 0 0 34 125,-0.0 122,-0.0 126,-0.0 425,-0.0 -0.937 360.0-137.4-112.3 123.9 -1.6 34.6 -22.7 3 3 A T > - 0 0 74 -2,-0.5 4,-2.1 1,-0.1 5,-0.1 -0.146 32.5-102.4 -66.6 170.4 -3.5 35.7 -25.8 4 4 A K H > S+ 0 0 166 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.947 123.9 49.8 -61.3 -46.9 -1.5 37.3 -28.6 5 5 A T H > S+ 0 0 75 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.960 109.5 49.3 -56.1 -55.6 -2.8 40.7 -27.6 6 6 A E H > S+ 0 0 26 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.870 110.6 53.1 -52.4 -38.5 -1.9 40.2 -23.9 7 7 A R H X S+ 0 0 76 -4,-2.1 4,-2.0 2,-0.2 -1,-0.3 0.883 108.5 47.8 -65.9 -39.6 1.6 39.1 -25.1 8 8 A T H X S+ 0 0 69 -4,-2.1 4,-3.4 -3,-0.4 5,-0.2 0.875 108.2 56.1 -69.9 -35.3 2.1 42.3 -27.2 9 9 A I H X S+ 0 0 30 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.846 109.0 47.5 -63.0 -34.1 1.0 44.4 -24.3 10 10 A I H X S+ 0 0 0 -4,-1.4 4,-1.9 -5,-0.2 -2,-0.2 0.895 114.3 45.4 -74.0 -41.2 3.7 42.8 -22.2 11 11 A V H X S+ 0 0 76 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.937 115.5 47.2 -67.1 -46.5 6.3 43.3 -24.8 12 12 A S H X S+ 0 0 68 -4,-3.4 4,-1.1 1,-0.2 3,-0.2 0.953 114.8 45.1 -58.7 -52.9 5.2 46.9 -25.5 13 13 A M H X S+ 0 0 7 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.841 108.9 58.6 -61.8 -34.4 5.1 47.8 -21.8 14 14 A W H X S+ 0 0 54 -4,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.908 96.7 60.5 -62.4 -42.8 8.5 46.0 -21.3 15 15 A A H < S+ 0 0 57 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.906 111.0 41.2 -50.9 -44.7 10.2 48.3 -23.8 16 16 A K H >< S+ 0 0 89 -4,-1.1 3,-1.0 1,-0.2 4,-0.4 0.889 112.8 53.7 -71.5 -40.4 9.3 51.2 -21.6 17 17 A I H >< S+ 0 0 5 -4,-2.2 3,-1.9 1,-0.2 7,-0.2 0.898 100.4 61.4 -61.1 -42.0 10.1 49.5 -18.3 18 18 A S T 3< S+ 0 0 52 -4,-3.0 -1,-0.2 1,-0.3 3,-0.2 0.664 98.7 56.4 -60.3 -19.4 13.6 48.6 -19.5 19 19 A T T < S+ 0 0 122 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.541 119.9 30.0 -90.5 -8.1 14.6 52.2 -19.8 20 20 A Q S <> S+ 0 0 71 -3,-1.9 4,-2.9 -4,-0.4 5,-0.3 0.028 83.6 129.6-133.2 21.0 13.6 52.9 -16.2 21 21 A A H > S+ 0 0 18 -3,-0.2 4,-2.6 1,-0.2 5,-0.2 0.870 70.2 49.6 -44.0 -55.4 14.5 49.4 -14.9 22 22 A D H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 116.2 40.8 -56.9 -47.0 16.7 50.5 -12.0 23 23 A T H > S+ 0 0 57 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.895 114.9 51.3 -71.1 -39.1 14.2 53.1 -10.6 24 24 A I H X S+ 0 0 0 -4,-2.9 4,-1.9 -7,-0.2 -2,-0.2 0.874 111.5 49.4 -64.5 -36.6 11.2 50.8 -11.2 25 25 A G H X S+ 0 0 2 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.929 112.8 45.3 -68.3 -45.4 13.0 48.0 -9.4 26 26 A T H X S+ 0 0 15 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.918 113.6 49.1 -65.4 -43.5 13.9 50.2 -6.4 27 27 A E H X S+ 0 0 28 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.896 108.9 53.8 -63.3 -40.3 10.5 51.7 -6.1 28 28 A T H X S+ 0 0 7 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.926 111.3 44.9 -60.2 -46.1 8.8 48.3 -6.2 29 29 A L H X S+ 0 0 4 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.911 110.8 53.5 -65.4 -43.1 11.0 47.0 -3.4 30 30 A E H X S+ 0 0 57 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.910 110.6 47.5 -58.3 -43.2 10.4 50.1 -1.3 31 31 A R H X S+ 0 0 4 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.907 113.2 49.6 -63.4 -42.5 6.7 49.7 -1.7 32 32 A L H X S+ 0 0 9 -4,-2.1 4,-2.7 -5,-0.2 7,-0.2 0.973 113.5 43.1 -60.6 -58.3 7.0 46.0 -0.7 33 33 A F H < S+ 0 0 11 -4,-3.1 7,-0.2 1,-0.2 -2,-0.2 0.889 119.3 43.4 -57.7 -42.6 9.1 46.5 2.4 34 34 A L H < S+ 0 0 88 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.912 121.5 37.5 -72.1 -43.5 7.0 49.5 3.6 35 35 A S H < S+ 0 0 15 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.745 130.5 30.3 -80.9 -24.1 3.6 48.1 2.9 36 36 A H >< + 0 0 28 -4,-2.7 3,-2.7 -5,-0.3 4,-0.3 -0.514 66.9 176.9-136.7 68.1 4.4 44.5 3.9 37 37 A P G > S+ 0 0 69 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.680 72.7 76.7 -42.9 -28.9 7.2 44.6 6.6 38 38 A Q G > S+ 0 0 35 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.868 85.9 63.5 -55.7 -34.5 7.1 40.8 6.9 39 39 A T G X S+ 0 0 4 -3,-2.7 3,-1.4 1,-0.2 -1,-0.3 0.698 84.6 74.6 -64.1 -21.5 9.1 40.7 3.7 40 40 A K G X S+ 0 0 94 -3,-1.7 3,-2.1 -4,-0.3 -1,-0.2 0.793 78.7 74.0 -63.4 -27.4 12.1 42.5 5.2 41 41 A T G < S+ 0 0 42 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.673 86.0 64.5 -62.1 -16.7 13.1 39.3 7.2 42 42 A Y G < S+ 0 0 34 -3,-1.4 -1,-0.3 1,-0.2 3,-0.2 0.627 104.6 46.6 -80.8 -13.4 14.3 37.8 4.0 43 43 A F X + 0 0 36 -3,-2.1 3,-1.3 -4,-0.2 -1,-0.2 -0.448 61.7 142.4-124.8 58.7 17.0 40.5 3.7 44 44 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.819 78.1 53.4 -67.3 -27.0 18.5 40.6 7.2 45 45 A H T 3 S+ 0 0 122 -3,-0.2 2,-0.2 2,-0.1 -2,-0.1 0.397 96.3 98.4 -85.1 0.1 22.0 41.2 5.7 46 46 A F S < S- 0 0 46 -3,-1.3 2,-0.9 -6,-0.2 -3,-0.1 -0.616 74.8-129.9 -97.1 152.3 20.6 44.1 3.6 47 47 A D + 0 0 73 -2,-0.2 8,-0.7 1,-0.1 7,-0.1 -0.875 31.5 177.2 -93.8 104.3 20.8 47.8 4.1 48 48 A L + 0 0 42 -2,-0.9 -1,-0.1 6,-0.1 3,-0.1 0.143 35.6 118.9-100.0 20.0 17.1 48.5 3.6 49 49 A H S > S- 0 0 137 1,-0.2 3,-2.1 2,-0.1 6,-0.2 -0.615 79.2 -71.8 -86.8 146.4 17.3 52.3 4.2 50 50 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.144 119.4 11.6 -33.5 141.6 16.3 54.8 1.5 51 51 A G T 3 S+ 0 0 71 1,-0.2 -2,-0.1 -3,-0.1 5,-0.0 0.465 89.2 170.2 64.1 0.6 18.7 55.1 -1.4 52 52 A S <> - 0 0 6 -3,-2.1 4,-1.7 1,-0.1 -1,-0.2 -0.046 34.8-142.1 -44.1 141.8 20.5 52.0 -0.2 53 53 A A H > S+ 0 0 79 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.867 99.8 50.3 -76.5 -39.3 23.1 50.7 -2.6 54 54 A Q H > S+ 0 0 75 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.935 112.3 46.8 -62.5 -49.6 22.3 47.0 -1.9 55 55 A L H > S+ 0 0 5 -8,-0.7 4,-3.4 1,-0.2 5,-0.2 0.934 114.5 48.0 -58.6 -48.0 18.6 47.5 -2.4 56 56 A R H X S+ 0 0 98 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.904 113.2 46.5 -61.2 -44.6 19.2 49.5 -5.6 57 57 A A H X S+ 0 0 59 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.920 116.4 46.6 -64.3 -40.6 21.6 46.9 -7.0 58 58 A H H X S+ 0 0 40 -4,-3.0 4,-2.0 1,-0.2 3,-0.3 0.905 106.6 55.9 -67.5 -44.1 19.1 44.2 -6.0 59 59 A G H X S+ 0 0 0 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.834 105.2 55.1 -58.3 -32.0 16.1 45.9 -7.5 60 60 A S H X S+ 0 0 38 -4,-1.4 4,-1.9 -5,-0.2 -1,-0.2 0.875 105.9 50.4 -69.1 -38.4 17.9 46.1 -10.8 61 61 A K H X S+ 0 0 141 -4,-1.2 4,-2.1 -3,-0.3 -2,-0.2 0.889 108.4 53.5 -66.8 -39.2 18.4 42.3 -10.8 62 62 A V H X S+ 0 0 36 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.950 111.2 43.2 -61.1 -52.4 14.7 41.7 -10.1 63 63 A V H X S+ 0 0 9 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.882 111.4 55.6 -62.1 -38.4 13.5 43.8 -13.0 64 64 A A H X S+ 0 0 48 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.910 107.3 51.0 -60.1 -40.0 16.2 42.2 -15.2 65 65 A A H X S+ 0 0 19 -4,-2.1 4,-1.9 1,-0.2 3,-0.3 0.930 106.9 51.7 -62.9 -45.7 14.7 38.9 -14.2 66 66 A V H X S+ 0 0 19 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.859 107.7 55.8 -58.8 -32.4 11.3 40.0 -15.2 67 67 A G H X S+ 0 0 7 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.879 103.0 52.2 -66.9 -39.4 12.9 41.0 -18.5 68 68 A D H X S+ 0 0 91 -4,-1.7 4,-2.2 -3,-0.3 -1,-0.2 0.874 107.1 54.1 -63.4 -36.2 14.2 37.5 -19.1 69 69 A A H < S+ 0 0 0 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.839 108.8 49.4 -65.7 -33.6 10.6 36.3 -18.5 70 70 A V H >< S+ 0 0 11 -4,-1.3 3,-1.5 1,-0.2 -2,-0.2 0.935 110.7 48.3 -70.0 -47.0 9.5 38.7 -21.2 71 71 A K H 3< S+ 0 0 188 -4,-2.6 -2,-0.2 1,-0.3 3,-0.2 0.849 122.3 35.9 -60.8 -34.9 12.2 37.5 -23.6 72 72 A S T >< S+ 0 0 44 -4,-2.2 3,-2.5 -5,-0.2 -1,-0.3 -0.202 73.6 142.4-111.2 38.9 11.2 33.9 -22.9 73 73 A I T < S+ 0 0 23 -3,-1.5 3,-0.4 1,-0.3 -1,-0.2 0.717 71.3 57.8 -53.6 -21.7 7.5 34.5 -22.5 74 74 A D T 3 S+ 0 0 137 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.646 122.6 21.1 -84.7 -16.3 6.9 31.2 -24.2 75 75 A D <> + 0 0 101 -3,-2.5 4,-2.0 -6,-0.2 3,-0.2 -0.421 66.0 157.1-149.6 67.3 8.9 29.2 -21.6 76 76 A I H > S+ 0 0 11 -3,-0.4 4,-2.9 1,-0.2 5,-0.1 0.870 75.8 62.2 -61.1 -35.5 9.1 31.2 -18.5 77 77 A G H 4 S+ 0 0 22 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.918 105.9 43.6 -57.0 -46.6 9.7 28.0 -16.6 78 78 A G H >4 S+ 0 0 40 -3,-0.2 3,-1.2 1,-0.2 4,-0.3 0.948 114.6 49.9 -64.9 -48.1 12.9 27.3 -18.4 79 79 A A H 3< S+ 0 0 41 -4,-2.0 3,-0.3 1,-0.3 -2,-0.2 0.900 118.0 37.3 -57.1 -47.0 14.1 30.9 -18.2 80 80 A L T 3X S+ 0 0 6 -4,-2.9 4,-2.3 1,-0.2 -1,-0.3 0.217 82.1 113.9 -94.3 15.5 13.6 31.3 -14.4 81 81 A S H <> S+ 0 0 44 -3,-1.2 4,-1.8 -4,-0.2 3,-0.4 0.939 77.5 47.9 -48.9 -58.0 14.6 27.7 -13.6 82 82 A K H > S+ 0 0 180 -4,-0.3 4,-1.8 -3,-0.3 -1,-0.2 0.857 113.3 49.8 -53.9 -38.6 17.7 28.8 -11.6 83 83 A L H > S+ 0 0 56 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.843 105.5 54.3 -72.3 -34.8 15.7 31.4 -9.7 84 84 A S H X S+ 0 0 0 -4,-2.3 4,-1.5 -3,-0.4 5,-0.3 0.869 109.9 48.5 -68.3 -33.8 12.8 29.0 -8.7 85 85 A E H X>S+ 0 0 83 -4,-1.8 4,-2.5 -5,-0.2 5,-0.9 0.928 112.7 48.6 -69.7 -43.8 15.4 26.6 -7.1 86 86 A L H X>S+ 0 0 66 -4,-1.8 5,-3.0 -5,-0.2 4,-0.8 0.935 113.7 45.1 -61.6 -48.0 17.0 29.5 -5.3 87 87 A H H <5S+ 0 0 44 -4,-2.8 6,-2.3 3,-0.2 -1,-0.2 0.785 123.9 33.9 -69.6 -26.2 13.8 31.0 -3.9 88 88 A A H <5S+ 0 0 7 -4,-1.5 -2,-0.2 4,-0.2 -3,-0.2 0.899 127.3 30.6 -94.8 -50.4 12.4 27.6 -2.9 89 89 A Y H <5S+ 0 0 147 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.909 135.0 22.4 -76.3 -43.6 15.4 25.5 -1.7 90 90 A I T < - 0 0 3 -2,-0.2 3,-2.3 1,-0.1 4,-0.5 -0.414 24.8-129.4 -61.4 125.5 6.5 32.0 1.5 95 95 A P T >> S+ 0 0 17 0, 0.0 3,-1.2 0, 0.0 4,-0.9 0.798 104.1 68.2 -46.6 -35.8 4.4 31.9 -1.8 96 96 A V H 3> S+ 0 0 28 1,-0.3 4,-1.4 2,-0.2 3,-0.4 0.832 90.0 64.8 -58.6 -29.7 2.1 34.6 -0.5 97 97 A N H <> S+ 0 0 12 -3,-2.3 4,-2.6 1,-0.2 -1,-0.3 0.821 92.1 60.0 -65.0 -31.6 5.0 37.1 -0.8 98 98 A F H <> S+ 0 0 19 -3,-1.2 4,-2.4 -4,-0.5 -1,-0.2 0.888 104.2 51.1 -64.8 -35.6 5.2 36.8 -4.6 99 99 A K H X S+ 0 0 83 -4,-0.9 4,-2.3 -3,-0.4 -1,-0.2 0.886 109.8 51.2 -66.5 -37.4 1.7 38.0 -4.9 100 100 A L H X S+ 0 0 16 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.910 111.2 45.9 -66.9 -42.6 2.7 40.9 -2.7 101 101 A L H X S+ 0 0 47 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.900 111.7 53.2 -67.1 -37.8 5.7 41.8 -4.9 102 102 A S H X S+ 0 0 13 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.918 108.5 49.5 -62.4 -43.4 3.5 41.5 -8.0 103 103 A H H X S+ 0 0 12 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.929 110.8 50.0 -60.0 -46.7 0.9 43.9 -6.5 104 104 A C H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.806 110.0 50.3 -63.6 -31.8 3.6 46.4 -5.7 105 105 A L H X S+ 0 0 10 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.914 108.7 52.1 -72.0 -42.6 5.1 46.2 -9.2 106 106 A L H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.864 109.3 50.6 -60.2 -36.8 1.6 46.7 -10.7 107 107 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.954 109.9 49.3 -66.0 -48.0 1.3 49.8 -8.5 108 108 A T H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.902 113.5 47.7 -56.8 -42.7 4.6 51.1 -9.7 109 109 A L H X S+ 0 0 0 -4,-2.7 4,-3.2 2,-0.2 -1,-0.2 0.939 110.6 49.4 -64.7 -48.9 3.6 50.5 -13.3 110 110 A A H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.882 115.4 44.6 -59.4 -39.0 0.2 52.2 -13.0 111 111 A A H < S+ 0 0 14 -4,-2.4 151,-0.3 -5,-0.2 -1,-0.2 0.799 119.8 41.2 -76.6 -27.8 1.8 55.2 -11.4 112 112 A R H < S+ 0 0 32 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.776 127.4 26.8 -91.4 -30.2 4.6 55.4 -13.9 113 113 A F X + 0 0 16 -4,-3.2 4,-2.3 -5,-0.2 3,-0.3 -0.460 67.8 159.2-131.6 61.2 2.8 54.6 -17.2 114 114 A P T 4 S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.848 75.5 52.9 -52.2 -40.8 -0.8 55.8 -16.6 115 115 A A T 4 S+ 0 0 87 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.914 115.7 39.6 -64.2 -41.7 -1.6 56.1 -20.3 116 116 A D T 4 S+ 0 0 56 -3,-0.3 2,-2.0 1,-0.2 -1,-0.2 0.754 95.8 84.9 -79.4 -25.4 -0.4 52.5 -20.9 117 117 A F < + 0 0 0 -4,-2.3 -1,-0.2 -8,-0.2 2,-0.1 -0.426 59.7 154.0 -81.3 68.6 -1.9 50.9 -17.8 118 118 A T > - 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0 0 11 -2,-0.5 3,-2.3 1,-0.2 4,-0.4 -0.409 23.2-128.0 -59.5 126.9 -16.0 34.8 -0.5 242 100 B P T >> S+ 0 0 60 0, 0.0 4,-1.0 0, 0.0 3,-0.6 0.689 103.0 74.5 -51.2 -21.9 -14.2 37.2 1.8 243 101 B E H 3> S+ 0 0 71 1,-0.2 4,-1.0 2,-0.2 3,-0.3 0.858 88.5 61.5 -61.8 -32.2 -11.0 36.7 -0.2 244 102 B N H <> S+ 0 0 9 -3,-2.3 4,-2.2 1,-0.2 3,-0.3 0.831 92.0 62.5 -64.5 -33.6 -12.6 38.9 -2.9 245 103 B F H <> S+ 0 0 25 -3,-0.6 4,-2.0 -4,-0.4 -1,-0.2 0.923 102.6 52.8 -56.9 -43.0 -12.9 42.0 -0.5 246 104 B R H X S+ 0 0 87 -4,-1.0 4,-1.3 -3,-0.3 -1,-0.3 0.839 106.4 53.8 -61.0 -34.4 -9.1 41.9 -0.3 247 105 B L H >X S+ 0 0 14 -4,-1.0 4,-2.2 -3,-0.3 3,-0.5 0.950 107.1 48.2 -66.9 -50.1 -8.9 41.9 -4.1 248 106 B L H 3X S+ 0 0 32 -4,-2.2 4,-2.6 1,-0.3 -1,-0.2 0.870 107.9 57.3 -58.8 -35.7 -11.1 45.0 -4.6 249 107 B G H 3X S+ 0 0 7 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.3 0.872 106.9 48.1 -62.7 -35.9 -8.9 46.7 -1.9 250 108 B N H < S+ 0 0 15 -4,-2.8 3,-2.4 -5,-0.2 4,-0.2 0.588 82.1 179.0 -78.9 -11.0 -1.9 60.3 -8.0 261 119 B G G >< S+ 0 0 14 -4,-1.0 3,-2.8 -5,-0.3 -1,-0.2 -0.123 70.1 7.7 46.4-136.0 1.2 59.0 -9.9 262 120 B K G 3 S+ 0 0 150 -151,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.677 126.1 65.7 -47.4 -23.8 4.5 60.1 -8.1 263 121 B D G < S+ 0 0 86 -3,-2.4 2,-2.2 1,-0.2 -1,-0.3 0.802 83.5 76.0 -72.2 -27.5 2.4 61.5 -5.2 264 122 B F S < S+ 0 0 0 -3,-2.8 -1,-0.2 -4,-0.2 -153,-0.1 -0.529 78.8 175.7 -82.9 73.3 1.3 57.9 -4.4 265 123 B T > - 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0 0 5 -2,-0.3 3,-2.1 1,-0.2 4,-0.4 -0.413 24.3-129.9 -58.7 126.1 -14.5 31.3 -7.7 381 95 C P T >> S+ 0 0 33 0, 0.0 3,-1.1 0, 0.0 4,-0.7 0.720 103.1 71.1 -52.7 -24.5 -11.1 29.5 -7.7 382 96 C V H >> S+ 0 0 20 1,-0.3 4,-1.5 2,-0.2 3,-0.5 0.815 87.1 66.4 -64.8 -27.1 -11.1 29.5 -3.9 383 97 C N H <> S+ 0 0 12 -3,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.765 91.1 61.5 -65.6 -26.8 -13.9 26.9 -4.0 384 98 C F H <> S+ 0 0 25 -3,-1.1 4,-2.2 -4,-0.4 -1,-0.2 0.873 102.9 49.5 -70.0 -33.7 -11.6 24.3 -5.5 385 99 C K H X + 0 0 16 -4,-3.3 4,-1.8 -5,-0.2 3,-0.9 -0.494 66.4 162.2-124.5 64.3 -8.9 5.3 5.3 400 114 C P T 34 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.828 75.9 54.1 -51.2 -39.4 -6.8 6.4 8.4 401 115 C A T 34 S+ 0 0 88 1,-0.2 3,-0.1 3,-0.0 -2,-0.1 0.834 114.1 41.9 -67.1 -32.6 -4.1 3.8 7.9 402 116 C D T <4 S+ 0 0 46 -3,-0.9 2,-2.2 1,-0.2 -1,-0.2 0.708 93.9 85.3 -85.3 -23.7 -3.5 4.9 4.4 403 117 C F < + 0 0 0 -4,-1.8 -1,-0.2 -8,-0.2 2,-0.1 -0.421 60.2 155.8 -82.0 68.2 -3.8 8.6 5.1 404 118 C T > - 0 0 63 -2,-2.2 4,-2.2 1,-0.1 5,-0.2 -0.277 61.4-100.1 -81.4 174.6 -0.1 9.1 6.2 405 119 C A H > S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.908 126.7 50.8 -63.8 -38.0 1.5 12.6 5.9 406 120 C E H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.910 110.1 47.2 -65.2 -44.7 3.1 11.4 2.7 407 121 C A H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.866 111.7 52.7 -64.0 -37.4 -0.2 10.2 1.2 408 122 C H H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.946 108.9 49.2 -62.7 -48.2 -1.7 13.6 2.3 409 123 C A H X S+ 0 0 26 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.919 112.0 49.2 -58.7 -43.4 1.1 15.5 0.5 410 124 C A H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.916 113.1 44.8 -64.7 -44.9 0.5 13.5 -2.6 411 125 C W H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.898 110.6 54.6 -67.3 -38.7 -3.2 13.9 -2.7 412 126 C D H X S+ 0 0 39 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.954 112.7 43.1 -58.6 -46.9 -3.0 17.6 -2.0 413 127 C K H X S+ 0 0 32 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.931 114.9 50.2 -64.5 -43.4 -0.6 18.1 -4.9 414 128 C F H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.931 112.5 45.8 -60.0 -48.7 -2.8 15.8 -7.2 415 129 C L H X S+ 0 0 7 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.821 109.8 55.4 -65.9 -31.0 -6.0 17.7 -6.3 416 130 C S H X S+ 0 0 53 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.859 108.5 48.6 -69.1 -35.2 -4.2 21.0 -6.8 417 131 C V H X S+ 0 0 28 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.926 111.3 49.1 -69.1 -44.8 -3.3 19.9 -10.3 418 132 C V H X S+ 0 0 20 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.923 112.0 50.7 -59.8 -41.3 -6.9 18.8 -11.0 419 133 C S H X S+ 0 0 17 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.873 105.8 52.9 -65.6 -40.0 -8.0 22.2 -9.7 420 134 C S H X S+ 0 0 44 -4,-2.0 4,-0.9 1,-0.2 3,-0.3 0.912 108.1 52.3 -63.2 -40.5 -5.7 24.2 -11.9 421 135 C V H >< S+ 0 0 10 -4,-1.9 3,-0.6 1,-0.2 4,-0.2 0.916 110.1 48.0 -60.3 -44.3 -6.9 22.4 -15.0 422 136 C L H 3< S+ 0 0 7 -4,-1.7 -48,-0.3 1,-0.2 -1,-0.2 0.717 121.3 36.4 -70.3 -21.3 -10.5 23.2 -14.1 423 137 C T H >X S+ 0 0 9 -4,-1.3 3,-1.7 -3,-0.3 4,-0.9 0.354 84.0 107.3-111.1 3.4 -9.7 26.8 -13.5 424 138 C E T << + 0 0 56 -4,-0.9 -2,-0.1 -3,-0.6 -1,-0.1 0.692 67.2 69.5 -56.2 -23.2 -7.1 27.2 -16.3 425 139 C K T 34 S+ 0 0 134 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.266 103.9 48.0 -80.0 13.8 -9.5 29.3 -18.4 426 140 C Y T <4 0 0 22 -3,-1.7 -2,-0.2 -249,-0.0 -1,-0.1 0.719 360.0 360.0-112.3 -69.8 -9.0 31.9 -15.7 427 141 C R < 0 0 102 -4,-0.9 -300,-0.1 -7,-0.1 -3,-0.1 0.783 360.0 360.0 -68.2 360.0 -5.3 32.4 -15.0 428 !* 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 0.0 429 1 D V 0 0 53 0, 0.0 2,-0.4 0, 0.0 80,-0.1 0.000 360.0 360.0 360.0 159.6 -17.4 33.0 16.6 430 2 D H + 0 0 170 77,-0.0 2,-0.4 130,-0.0 77,-0.1 -0.947 360.0 175.6-135.9 115.0 -20.9 31.9 17.5 431 3 D L - 0 0 19 -2,-0.4 75,-0.0 1,-0.0 126,-0.0 -0.950 32.0-113.7-120.9 136.7 -21.9 28.2 17.9 432 4 D T > - 0 0 75 -2,-0.4 4,-3.0 1,-0.2 5,-0.2 -0.134 35.9-105.7 -58.8 161.3 -25.3 26.8 19.0 433 5 D D H > S+ 0 0 133 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.652 125.2 58.0 -64.2 -11.7 -25.4 24.9 22.3 434 6 D A H > S+ 0 0 62 2,-0.2 4,-2.4 3,-0.1 -1,-0.2 0.943 107.7 40.5 -80.2 -56.7 -25.6 21.9 19.9 435 7 D E H > S+ 0 0 36 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.916 115.6 53.9 -57.9 -43.5 -22.4 22.6 18.0 436 8 D K H X S+ 0 0 99 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.844 109.7 46.6 -61.8 -34.1 -20.7 23.5 21.3 437 9 D A H X S+ 0 0 62 -4,-0.8 4,-2.9 -5,-0.2 -1,-0.2 0.865 114.5 48.5 -74.5 -35.4 -21.8 20.2 22.8 438 10 D A H X S+ 0 0 40 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.949 112.6 45.9 -67.6 -50.8 -20.6 18.4 19.7 439 11 D V H X S+ 0 0 6 -4,-3.5 4,-2.4 1,-0.2 5,-0.2 0.925 116.1 49.1 -56.4 -45.5 -17.2 20.2 19.7 440 12 D S H X S+ 0 0 84 -4,-1.8 4,-1.5 -5,-0.3 -2,-0.2 0.924 114.2 42.8 -60.8 -49.4 -17.0 19.5 23.4 441 13 D G H < S+ 0 0 39 -4,-2.9 4,-0.3 2,-0.2 -2,-0.2 0.927 117.4 44.6 -66.7 -45.2 -17.8 15.8 23.1 442 14 D L H >< S+ 0 0 18 -4,-3.1 3,-1.7 1,-0.2 -2,-0.2 0.893 109.1 56.4 -67.4 -39.3 -15.7 15.0 20.1 443 15 D W H >< S+ 0 0 29 -4,-2.4 3,-1.6 -5,-0.3 -1,-0.2 0.893 102.3 57.2 -59.4 -38.1 -12.7 17.0 21.5 444 16 D G T 3< S+ 0 0 65 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.638 98.5 64.0 -68.4 -10.5 -12.8 14.8 24.5 445 17 D K T < S+ 0 0 126 -3,-1.7 2,-0.3 -4,-0.3 -1,-0.3 0.313 96.3 65.5 -96.3 8.0 -12.4 11.8 22.3 446 18 D V S < S- 0 0 23 -3,-1.6 2,-1.1 -4,-0.1 3,-0.1 -0.891 85.7-111.1-129.3 159.9 -9.0 12.6 21.0 447 19 D N > - 0 0 80 -2,-0.3 4,-2.2 1,-0.2 3,-0.4 -0.802 31.8-160.0 -86.7 101.1 -5.5 12.9 22.3 448 20 D A H > S+ 0 0 27 -2,-1.1 4,-2.4 1,-0.2 5,-0.2 0.900 86.7 56.2 -50.5 -46.6 -5.1 16.7 22.0 449 21 D D H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 108.9 45.6 -55.6 -44.0 -1.3 16.5 22.1 450 22 D E H > S+ 0 0 100 -3,-0.4 4,-3.0 2,-0.2 5,-0.3 0.892 109.8 55.3 -67.5 -39.4 -1.2 14.1 19.2 451 23 D V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.924 111.4 44.2 -59.4 -43.3 -3.6 16.2 17.2 452 24 D G H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.917 115.1 47.7 -68.1 -43.0 -1.4 19.2 17.6 453 25 D G H X S+ 0 0 8 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.894 115.5 44.0 -65.1 -41.4 1.8 17.4 16.8 454 26 D E H X S+ 0 0 48 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.847 112.4 52.2 -73.5 -34.3 0.4 15.7 13.7 455 27 D A H X S+ 0 0 2 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.937 113.2 44.1 -66.7 -45.1 -1.3 18.9 12.4 456 28 D L H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.920 113.6 52.6 -63.6 -44.9 2.0 20.8 12.7 457 29 D G H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.937 109.5 47.1 -57.0 -49.3 3.8 17.9 11.2 458 30 D R H X S+ 0 0 5 -4,-2.7 4,-3.2 1,-0.2 5,-0.4 0.871 108.6 56.7 -61.8 -36.2 1.5 17.8 8.2 459 31 D L H X S+ 0 0 10 -4,-2.1 4,-2.4 1,-0.2 7,-0.3 0.959 108.6 46.3 -58.5 -50.3 1.8 21.6 7.8 460 32 D L H < S+ 0 0 0 -4,-2.3 7,-0.3 1,-0.2 -1,-0.2 0.813 117.5 44.3 -62.0 -32.6 5.6 21.2 7.5 461 33 D V H < S+ 0 0 22 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.929 119.0 38.3 -78.9 -47.9 5.2 18.4 5.0 462 34 D V H < S+ 0 0 11 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.784 127.6 32.7 -76.7 -30.3 2.5 19.7 2.8 463 35 D Y S >< S- 0 0 29 -4,-2.4 3,-2.4 -5,-0.4 -1,-0.3 -0.698 74.5-177.1-126.8 74.5 3.6 23.4 2.7 464 36 D P G > S+ 0 0 36 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.692 72.6 71.8 -47.5 -27.3 7.4 23.0 3.0 465 37 D W G > S+ 0 0 30 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.750 84.3 70.7 -65.0 -20.3 8.1 26.7 3.0 466 38 D T G X S+ 0 0 4 -3,-2.4 3,-1.3 -7,-0.3 -1,-0.3 0.696 80.8 75.5 -68.6 -16.6 6.6 26.7 6.6 467 39 D Q G X S+ 0 0 39 -3,-1.8 3,-2.4 -7,-0.3 -1,-0.3 0.776 75.1 78.6 -63.7 -27.2 9.8 24.9 7.6 468 40 D R G X S+ 0 0 44 -3,-1.4 3,-0.6 -4,-0.3 -1,-0.3 0.782 90.3 54.4 -53.5 -28.3 11.7 28.2 7.4 469 41 D Y G < S+ 0 0 60 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.552 107.4 50.3 -84.6 -6.8 10.2 29.1 10.8 470 42 D F G X + 0 0 33 -3,-2.4 3,-2.1 -4,-0.2 -1,-0.2 -0.115 59.1 133.1-125.4 39.0 11.4 26.0 12.5 471 43 D D G X S+ 0 0 103 -3,-0.6 3,-1.1 1,-0.3 -1,-0.1 0.814 73.1 61.2 -56.4 -32.4 15.1 25.7 11.7 472 44 D S G 3 S+ 0 0 84 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.489 85.3 79.6 -75.4 -2.0 15.9 25.1 15.3 473 45 D F G < S- 0 0 29 -3,-2.1 14,-0.4 1,-0.2 2,-0.4 0.545 90.3-140.7 -83.8 -7.7 13.8 21.9 15.3 474 46 D G < + 0 0 53 -3,-1.1 2,-0.6 -4,-0.2 -1,-0.2 -0.681 62.9 30.4 94.7-139.3 16.4 19.8 13.6 475 47 D D + 0 0 96 -2,-0.4 3,-0.1 1,-0.2 10,-0.0 -0.523 52.8 147.1 -70.6 110.4 15.9 17.1 11.0 476 48 D L + 0 0 18 -2,-0.6 -1,-0.2 1,-0.1 6,-0.1 -0.099 30.8 122.9-129.8 29.1 12.9 18.0 8.8 477 49 D S S S+ 0 0 101 4,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.698 74.1 19.0 -68.7 -24.1 14.4 16.4 5.6 478 50 D S S > S- 0 0 56 1,-0.1 4,-3.0 -3,-0.1 5,-0.2 -0.965 79.9-106.5-145.7 162.2 11.5 14.0 5.0 479 51 D A H > S+ 0 0 26 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.884 123.3 50.7 -54.4 -38.2 7.8 13.4 5.8 480 52 D S H > S+ 0 0 97 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.933 110.6 46.4 -64.6 -48.7 9.1 10.6 8.0 481 53 D A H 4 S+ 0 0 18 2,-0.2 4,-0.3 1,-0.2 -2,-0.2 0.896 114.3 49.6 -62.6 -40.1 11.7 12.7 9.8 482 54 D I H >< S+ 0 0 4 -4,-3.0 3,-1.4 1,-0.2 -2,-0.2 0.963 110.3 47.2 -64.4 -52.4 9.1 15.5 10.3 483 55 D M H 3< S+ 0 0 50 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.731 118.1 42.7 -64.4 -22.7 6.3 13.3 11.7 484 56 D G T 3< S+ 0 0 50 -4,-1.4 2,-0.4 -5,-0.2 -1,-0.3 0.361 84.7 123.5-103.6 5.2 8.7 11.6 14.1 485 57 D N <> - 0 0 19 -3,-1.4 4,-2.3 -4,-0.3 5,-0.2 -0.530 53.4-150.6 -72.5 122.9 10.5 14.8 15.1 486 58 D A H > S+ 0 0 77 -2,-0.4 4,-3.3 1,-0.2 5,-0.2 0.884 95.2 48.9 -60.3 -44.4 10.4 15.3 18.9 487 59 D K H > S+ 0 0 114 -14,-0.4 4,-3.5 2,-0.2 5,-0.3 0.925 109.6 52.9 -64.4 -41.6 10.6 19.1 18.8 488 60 D V H > S+ 0 0 2 -15,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.954 114.0 43.8 -57.1 -47.2 7.8 19.2 16.2 489 61 D K H X S+ 0 0 116 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.928 113.4 50.3 -63.5 -45.7 5.7 17.0 18.6 490 62 D A H X S+ 0 0 51 -4,-3.3 4,-1.1 1,-0.2 3,-0.4 0.926 113.0 46.6 -59.3 -44.4 6.7 19.1 21.6 491 63 D H H X S+ 0 0 46 -4,-3.5 4,-2.2 1,-0.2 3,-0.3 0.879 104.4 60.7 -66.9 -36.6 5.8 22.3 19.8 492 64 D G H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.845 99.0 59.1 -59.1 -31.8 2.5 20.9 18.6 493 65 D K H X S+ 0 0 99 -4,-1.4 4,-1.9 -3,-0.4 -1,-0.2 0.923 105.8 47.2 -63.1 -42.5 1.5 20.4 22.2 494 66 D K H X S+ 0 0 124 -4,-1.1 4,-1.9 -3,-0.3 -2,-0.2 0.917 112.2 50.6 -64.8 -43.2 2.0 24.2 22.8 495 67 D V H X S+ 0 0 38 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.940 112.6 45.4 -59.5 -49.1 -0.1 25.0 19.7 496 68 D I H X S+ 0 0 2 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.799 107.0 59.2 -68.6 -27.3 -2.9 22.7 20.8 497 69 D T H X S+ 0 0 68 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.941 109.7 43.1 -65.7 -44.3 -2.9 24.0 24.4 498 70 D A H X S+ 0 0 16 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.904 112.9 53.5 -65.9 -40.2 -3.6 27.5 23.0 499 71 D F H X S+ 0 0 7 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.927 106.8 52.1 -59.4 -43.0 -6.1 26.0 20.7 500 72 D N H X S+ 0 0 53 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.861 103.7 57.6 -61.5 -35.6 -7.7 24.3 23.7 501 73 D D H >< S+ 0 0 70 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.945 105.8 50.8 -59.4 -45.9 -7.9 27.7 25.4 502 74 D G H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.3 -1,-0.2 0.874 102.9 57.8 -58.8 -40.0 -9.9 29.0 22.5 503 75 D L H 3< S+ 0 0 25 -4,-1.7 3,-0.5 1,-0.3 -1,-0.3 0.817 108.1 49.5 -60.5 -28.1 -12.3 26.0 22.7 504 76 D N T << S+ 0 0 103 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.357 118.6 37.3 -91.3 3.9 -12.9 27.3 26.3 505 77 D H X + 0 0 81 -3,-2.0 3,-2.4 -4,-0.1 -1,-0.2 -0.138 61.7 147.9-149.5 45.9 -13.6 30.9 25.2 506 78 D L T 3 S+ 0 0 16 -3,-0.5 3,-0.4 1,-0.3 -3,-0.1 0.641 75.2 60.2 -59.5 -15.1 -15.4 30.8 21.9 507 79 D D T 3 S+ 0 0 142 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.558 116.2 30.8 -88.9 -9.4 -17.2 34.1 22.9 508 80 D S <> + 0 0 54 -3,-2.4 4,-1.6 -6,-0.2 -1,-0.2 -0.395 64.7 137.1-149.1 66.0 -13.9 35.9 23.2 509 81 D L H > S+ 0 0 9 -3,-0.4 4,-2.6 2,-0.2 5,-0.3 0.899 72.4 63.7 -76.9 -44.1 -11.2 34.6 20.8 510 82 D K H > S+ 0 0 64 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.920 112.1 37.5 -44.0 -51.8 -10.0 38.1 19.8 511 83 D G H >4 S+ 0 0 56 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.906 112.3 56.7 -69.9 -43.3 -8.9 38.6 23.4 512 84 D T H 3< S+ 0 0 45 -4,-1.6 3,-0.2 1,-0.2 4,-0.2 0.852 117.5 33.4 -57.9 -38.1 -7.7 35.1 24.1 513 85 D F H 3X S+ 0 0 5 -4,-2.6 4,-3.5 1,-0.2 5,-0.2 0.392 84.5 106.5-101.0 2.7 -5.2 35.2 21.2 514 86 D A H S+ 0 0 94 -4,-0.4 4,-1.9 -3,-0.2 -1,-0.2 0.902 115.4 45.2 -69.1 -41.9 -0.8 38.0 22.8 516 88 D L H > S+ 0 0 55 -4,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.836 108.9 58.5 -70.3 -31.4 -0.2 35.2 20.4 517 89 D S H X S+ 0 0 1 -4,-3.5 4,-1.4 1,-0.2 5,-0.3 0.916 107.9 45.9 -62.0 -42.1 -1.4 37.5 17.6 518 90 D E H X>S+ 0 0 92 -4,-1.7 4,-1.4 -5,-0.2 5,-1.1 0.886 111.3 52.2 -67.9 -42.2 1.4 39.9 18.5 519 91 D L H X>S+ 0 0 61 -4,-1.9 5,-2.1 1,-0.2 4,-1.0 0.958 112.3 44.2 -59.2 -52.7 4.0 37.3 18.8 520 92 D H H <5S+ 0 0 45 -4,-2.5 6,-2.7 3,-0.2 -1,-0.2 0.756 124.7 33.0 -67.0 -26.9 3.3 35.8 15.4 521 93 D C H X5S+ 0 0 37 -4,-1.4 4,-0.9 4,-0.2 -3,-0.2 0.914 127.9 30.2 -91.4 -67.5 3.1 39.1 13.6 522 94 D D H <5S+ 0 0 100 -4,-1.4 -3,-0.2 -5,-0.3 -2,-0.1 0.850 135.4 25.2 -63.0 -39.5 5.5 41.5 15.3 523 95 D K T < - 0 0 17 -2,-0.5 3,-1.8 1,-0.2 4,-0.3 -0.475 21.3-129.5 -64.3 131.5 1.9 35.6 7.0 528 100 D P T >> S+ 0 0 57 0, 0.0 3,-1.5 0, 0.0 4,-0.9 0.674 100.2 77.4 -57.1 -20.8 -1.6 35.1 8.4 529 101 D E H >> S+ 0 0 60 1,-0.3 4,-1.5 2,-0.2 3,-0.6 0.859 88.6 60.5 -57.8 -32.1 -2.6 32.8 5.5 530 102 D N H <> S+ 0 0 9 -3,-1.8 4,-2.4 1,-0.2 -1,-0.3 0.741 93.0 63.3 -69.0 -21.8 -0.6 30.1 7.2 531 103 D F H <> S+ 0 0 25 -3,-1.5 4,-1.8 -4,-0.3 -1,-0.2 0.864 103.9 49.0 -68.3 -35.4 -2.9 30.3 10.2 532 104 D R H < S+ 0 0 15 -4,-2.7 3,-2.1 -5,-0.2 -2,-0.2 0.628 76.6 179.1 -91.2 -16.1 -12.4 10.5 14.9 547 119 D G G >< S+ 0 0 15 -4,-2.1 3,-2.1 1,-0.3 -1,-0.2 -0.209 73.9 7.7 52.4-131.3 -13.4 8.6 11.7 548 120 D K G 3 S+ 0 0 173 1,-0.3 -1,-0.3 -151,-0.2 3,-0.1 0.748 125.2 67.0 -52.9 -26.8 -17.2 8.2 11.5 549 121 D D G < S+ 0 0 39 -3,-2.1 2,-2.1 1,-0.2 -1,-0.3 0.799 82.8 76.6 -66.1 -27.9 -17.6 10.5 14.5 550 122 D F S < S+ 0 0 0 -3,-2.1 -1,-0.2 -7,-0.2 -3,-0.1 -0.418 75.9 179.5 -83.9 65.5 -16.3 13.5 12.5 551 123 D T > - 0 0 65 -2,-2.1 4,-2.7 1,-0.1 5,-0.2 -0.101 45.7-100.4 -64.1 162.8 -19.6 13.9 10.6 552 124 D P H > S+ 0 0 28 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.858 127.4 48.4 -53.5 -34.9 -20.1 16.7 8.0 553 125 D A H > S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.883 108.8 51.8 -74.0 -38.8 -22.0 18.6 10.8 554 126 D A H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 109.6 50.9 -63.6 -39.4 -19.2 18.1 13.3 555 127 D Q H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.908 105.9 55.4 -63.9 -41.9 -16.6 19.4 10.8 556 128 D A H X S+ 0 0 12 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.2 0.918 108.8 47.9 -56.9 -44.9 -18.8 22.5 10.2 557 129 D A H >X S+ 0 0 1 -4,-1.9 4,-1.6 1,-0.2 3,-0.5 0.966 114.0 44.5 -61.3 -54.9 -18.7 23.3 13.9 558 130 D F H 3X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.825 107.7 62.6 -59.2 -31.4 -14.9 22.8 14.3 559 131 D Q H 3X S+ 0 0 25 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.903 101.8 48.8 -61.2 -42.5 -14.6 24.8 11.0 560 132 D K H