==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 08-FEB-99 1B86 . COMPND 2 MOLECULE: PROTEIN (HEMOGLOBIN; ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.RICHARD,G.G.DODSON,Y.MAUGUEN . 574 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 79.1 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 . 12 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 327 57.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 2 1 1 0 0 3 0 1 1 1 3 5 0 0 7 3 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 V 0 0 138 0, 0.0 2,-0.5 0, 0.0 127,-0.1 0.000 360.0 360.0 360.0 134.9 19.1 -2.2 2.7 2 2 A L - 0 0 19 71,-0.1 122,-0.0 125,-0.1 0, 0.0 -0.761 360.0-153.2 -85.5 129.4 19.5 0.3 -0.2 3 3 A S >> - 0 0 48 -2,-0.5 4,-2.8 1,-0.1 3,-0.9 -0.483 36.3 -93.3 -93.5 169.2 20.2 -1.2 -3.5 4 4 A P H 3> S+ 0 0 102 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.792 128.7 48.8 -53.3 -33.8 22.0 0.4 -6.3 5 5 A A H 3> S+ 0 0 53 2,-0.2 4,-3.0 1,-0.2 5,-0.1 0.807 105.4 55.1 -83.8 -21.4 18.7 1.6 -7.7 6 6 A D H <> S+ 0 0 15 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.982 111.4 47.6 -68.5 -47.6 17.5 3.0 -4.4 7 7 A K H X S+ 0 0 52 -4,-2.8 4,-3.8 1,-0.2 5,-0.4 0.858 113.3 44.8 -56.0 -42.9 20.7 5.0 -4.3 8 8 A T H X S+ 0 0 92 -4,-1.3 4,-2.5 -5,-0.3 -1,-0.2 0.973 113.8 52.4 -65.6 -44.5 20.4 6.3 -7.8 9 9 A N H X S+ 0 0 38 -4,-3.0 4,-2.3 1,-0.2 5,-0.3 0.867 115.0 39.7 -64.7 -43.0 16.8 7.0 -7.1 10 10 A V H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 5,-0.3 0.786 112.3 55.4 -75.7 -32.1 17.5 9.0 -4.0 11 11 A K H X S+ 0 0 104 -4,-3.8 4,-1.6 1,-0.2 -3,-0.2 0.899 115.1 42.6 -64.5 -43.7 20.6 10.7 -5.5 12 12 A A H X S+ 0 0 56 -4,-2.5 4,-0.8 -5,-0.4 -2,-0.2 0.929 116.1 41.7 -67.9 -53.4 18.3 11.9 -8.3 13 13 A A H >X S+ 0 0 2 -4,-2.3 4,-1.7 1,-0.2 3,-0.9 0.913 117.5 50.6 -62.4 -43.8 15.0 13.0 -6.4 14 14 A W H 3X S+ 0 0 29 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.949 103.5 60.5 -61.4 -35.8 17.2 14.6 -3.8 15 15 A G H 3< S+ 0 0 53 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.810 104.6 47.6 -57.2 -31.7 19.1 16.4 -6.6 16 16 A K H << S+ 0 0 103 -3,-0.9 3,-0.3 -4,-0.8 -1,-0.3 0.815 101.3 62.6 -82.2 -33.6 16.0 18.2 -7.9 17 17 A V H >< S+ 0 0 0 -4,-1.7 3,-2.2 1,-0.2 2,-0.3 0.986 80.6 139.1 -46.7 -53.0 15.1 19.3 -4.3 18 18 A G G >< S+ 0 0 44 -4,-2.1 3,-0.8 1,-0.3 -1,-0.2 -0.276 70.3 6.6 52.5-103.7 18.4 21.0 -4.9 19 19 A A G 3 S+ 0 0 86 -2,-0.3 -1,-0.3 -3,-0.3 4,-0.3 0.453 120.7 67.3 -88.2 -0.5 18.0 24.4 -3.3 20 20 A H G <> + 0 0 82 -3,-2.2 4,-3.1 -4,-0.2 -1,-0.2 0.469 64.1 107.8 -95.0 -6.8 14.7 24.1 -1.7 21 21 A A H <> S+ 0 0 10 -3,-0.8 4,-3.1 1,-0.2 5,-0.3 0.859 83.4 44.9 -32.9 -60.3 15.7 21.5 0.9 22 22 A G H > S+ 0 0 18 2,-0.3 4,-2.7 1,-0.2 3,-0.4 0.948 115.2 48.2 -48.2 -57.9 15.5 24.1 3.7 23 23 A E H > S+ 0 0 116 -4,-0.3 4,-2.4 1,-0.3 -2,-0.2 0.857 116.1 44.3 -48.8 -47.2 12.2 25.3 2.4 24 24 A Y H X S+ 0 0 24 -4,-3.1 4,-1.7 2,-0.2 -1,-0.3 0.840 109.0 54.1 -70.0 -40.8 11.0 21.8 2.2 25 25 A G H X S+ 0 0 3 -4,-3.1 4,-2.1 -3,-0.4 -2,-0.2 0.849 109.0 52.1 -60.8 -47.7 12.4 20.7 5.6 26 26 A A H X S+ 0 0 15 -4,-2.7 4,-2.1 -5,-0.3 5,-0.2 0.977 111.6 45.9 -54.8 -51.1 10.4 23.7 7.1 27 27 A E H X S+ 0 0 36 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.909 108.6 55.1 -58.8 -42.2 7.2 22.4 5.3 28 28 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.936 107.8 52.4 -56.3 -39.4 7.7 18.8 6.4 29 29 A L H X S+ 0 0 4 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.936 110.2 44.3 -71.1 -49.3 7.9 20.1 9.9 30 30 A E H X S+ 0 0 42 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.915 110.8 55.3 -61.9 -38.9 4.5 22.1 9.7 31 31 A R H X S+ 0 0 5 -4,-2.6 4,-1.8 -5,-0.2 5,-0.3 0.938 112.1 44.6 -53.7 -47.5 2.9 19.1 8.0 32 32 A M H X S+ 0 0 9 -4,-1.7 4,-2.7 -5,-0.2 7,-0.3 0.944 110.5 52.9 -61.7 -55.8 4.0 17.0 11.0 33 33 A F H < S+ 0 0 11 -4,-3.1 7,-0.2 1,-0.2 -2,-0.2 0.909 117.3 39.1 -52.9 -42.6 3.0 19.6 13.7 34 34 A L H < S+ 0 0 69 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.750 121.7 37.2 -77.2 -36.6 -0.5 19.8 12.2 35 35 A S H < S+ 0 0 17 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.2 0.770 129.1 31.9 -88.1 -36.6 -1.3 16.2 11.3 36 36 A F >< + 0 0 38 -4,-2.7 3,-1.6 -5,-0.3 -1,-0.3 -0.730 68.0 174.3-127.0 78.4 0.4 14.7 14.2 37 37 A P G > S+ 0 0 43 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.624 71.3 75.4 -58.6 -27.2 0.0 17.2 17.0 38 38 A T G > S+ 0 0 35 1,-0.3 3,-1.5 2,-0.2 4,-0.1 0.784 86.5 68.2 -56.6 -23.8 1.6 14.8 19.6 39 39 A T G X S+ 0 0 2 -3,-1.6 3,-1.3 -7,-0.3 -1,-0.3 0.705 80.5 72.9 -69.8 -21.2 4.9 15.8 17.9 40 40 A K G X S+ 0 0 61 -3,-2.0 3,-2.3 1,-0.2 -1,-0.3 0.814 75.5 83.7 -68.1 -20.4 4.6 19.3 19.2 41 41 A T G < S+ 0 0 6 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.628 89.3 51.6 -56.6 -15.5 5.6 17.9 22.7 42 42 A Y G < S+ 0 0 26 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.538 108.3 50.4 -96.7 -13.1 9.3 18.0 21.7 43 43 A F X + 0 0 32 -3,-2.3 3,-1.3 -4,-0.2 -1,-0.2 -0.604 62.2 134.3-124.9 52.0 9.2 21.7 20.6 44 44 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.763 73.6 54.3 -75.8 -22.8 7.6 23.4 23.5 45 45 A H T 3 S+ 0 0 122 -3,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.188 97.4 89.3 -95.2 13.2 10.1 26.1 23.4 46 46 A F S < S- 0 0 42 -3,-1.3 2,-0.6 6,-0.0 -3,-0.1 -0.791 80.8-119.1-109.6 166.4 9.5 26.9 19.8 47 47 A D - 0 0 73 -2,-0.3 8,-0.4 2,-0.1 7,-0.3 -0.928 28.4-169.1 -95.0 121.7 7.1 29.2 18.2 48 48 A L + 0 0 56 -2,-0.6 2,-0.2 6,-0.1 3,-0.1 0.048 38.8 122.5-113.0 32.0 5.0 26.9 16.1 49 49 A S S > S- 0 0 64 1,-0.2 3,-3.5 2,-0.1 6,-0.2 -0.475 76.7 -74.9 -85.7 151.4 3.2 29.3 14.0 50 50 A H T 3 S+ 0 0 160 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 -0.175 121.0 5.8 -44.6 122.3 3.1 29.5 10.2 51 51 A G T 3 S+ 0 0 24 1,-0.2 -1,-0.3 -3,-0.1 5,-0.1 0.517 83.5 164.8 75.9 9.6 6.4 30.9 9.1 52 52 A S <> - 0 0 7 -3,-3.5 4,-1.7 1,-0.2 -1,-0.2 -0.258 36.8-140.3 -57.0 147.7 8.0 30.9 12.6 53 53 A A H > S+ 0 0 77 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.473 101.7 66.0 -88.3 -6.1 11.6 31.3 11.8 54 54 A Q H > S+ 0 0 81 -7,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.939 106.8 43.3 -74.0 -44.1 12.4 28.9 14.5 55 55 A V H > S+ 0 0 12 -8,-0.4 4,-2.6 2,-0.3 5,-0.3 0.852 113.5 49.4 -59.8 -52.2 10.7 26.4 12.2 56 56 A K H X S+ 0 0 110 -4,-1.7 4,-1.3 1,-0.2 5,-0.2 0.868 114.3 47.7 -56.5 -42.8 12.4 27.7 9.0 57 57 A G H X S+ 0 0 22 -4,-1.3 4,-1.0 1,-0.2 -2,-0.3 0.892 113.7 46.7 -73.6 -32.7 15.7 27.5 10.9 58 58 A H H X S+ 0 0 47 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.811 108.8 55.7 -79.6 -27.6 15.0 24.0 12.2 59 59 A G H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.917 105.5 48.8 -67.1 -42.3 13.9 22.8 8.8 60 60 A K H X S+ 0 0 115 -4,-1.3 4,-2.6 -5,-0.3 -1,-0.2 0.943 109.4 55.6 -64.5 -35.2 17.0 23.7 7.1 61 61 A K H X S+ 0 0 136 -4,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.995 111.9 41.8 -62.5 -54.0 18.9 22.0 9.8 62 62 A V H X S+ 0 0 31 -4,-2.7 4,-1.6 1,-0.3 3,-0.5 0.925 112.9 53.4 -52.8 -54.7 17.0 18.8 9.3 63 63 A A H X S+ 0 0 1 -4,-3.3 4,-2.5 1,-0.2 -1,-0.3 0.882 106.2 54.9 -58.3 -32.7 17.2 19.2 5.5 64 64 A D H X S+ 0 0 103 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.853 105.8 50.1 -72.2 -30.5 21.1 19.6 5.7 65 65 A A H X S+ 0 0 28 -4,-1.6 4,-1.2 -3,-0.5 -1,-0.2 0.872 111.6 49.1 -72.5 -34.2 21.5 16.3 7.6 66 66 A L H >X S+ 0 0 11 -4,-1.6 4,-2.8 2,-0.2 3,-0.5 0.962 110.5 51.3 -66.7 -49.4 19.3 14.5 4.9 67 67 A T H 3X S+ 0 0 57 -4,-2.5 4,-1.5 1,-0.3 -2,-0.2 0.892 112.2 46.7 -53.8 -42.6 21.5 16.1 2.2 68 68 A N H 3X S+ 0 0 58 -4,-1.9 4,-0.8 -5,-0.2 -1,-0.3 0.794 109.5 52.0 -68.1 -35.8 24.6 14.9 4.0 69 69 A A H X< S+ 0 0 0 -4,-1.2 3,-0.6 -3,-0.5 6,-0.3 0.922 108.7 52.7 -69.3 -43.1 23.2 11.4 4.5 70 70 A V H >< S+ 0 0 10 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.913 109.1 49.2 -57.0 -44.3 22.5 11.3 0.8 71 71 A A H 3< S+ 0 0 60 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.630 119.3 37.6 -71.9 -16.9 26.1 12.3 -0.0 72 72 A H T X< S+ 0 0 85 -4,-0.8 3,-2.5 -3,-0.6 -1,-0.3 -0.134 75.5 142.4-124.2 25.3 27.5 9.6 2.3 73 73 A V T < S+ 0 0 10 -3,-1.7 3,-0.5 1,-0.3 -71,-0.1 0.610 71.2 56.8 -46.9 -24.6 24.7 7.2 1.2 74 74 A D T 3 S+ 0 0 122 1,-0.2 -1,-0.3 -3,-0.1 -4,-0.1 0.257 118.4 28.3 -85.6 0.7 27.5 4.5 1.4 75 75 A D <> + 0 0 76 -3,-2.5 4,-2.1 -6,-0.3 -1,-0.2 -0.217 69.7 149.3-153.6 57.9 28.4 5.2 5.1 76 76 A M H > + 0 0 16 -3,-0.5 4,-2.1 1,-0.2 5,-0.1 0.876 67.6 60.5 -71.2 -30.8 25.3 6.6 6.7 77 77 A P H 4 S+ 0 0 76 0, 0.0 -1,-0.2 0, 0.0 7,-0.2 0.730 113.9 35.8 -54.5 -47.6 26.0 5.2 10.2 78 78 A N H >> S+ 0 0 103 2,-0.2 3,-1.3 1,-0.1 4,-0.5 0.849 111.9 59.8 -73.9 -46.2 29.2 7.1 10.5 79 79 A A H 3< S+ 0 0 32 -4,-2.1 -1,-0.1 1,-0.3 -3,-0.1 0.882 121.3 26.6 -48.1 -39.5 27.9 10.2 8.5 80 80 A L T >X S+ 0 0 4 -4,-2.1 4,-2.1 -5,-0.1 3,-0.6 0.260 84.4 110.7-109.2 10.4 25.1 10.7 11.2 81 81 A S H <> S+ 0 0 40 -3,-1.3 4,-3.1 1,-0.3 5,-0.2 0.881 82.0 56.0 -50.7 -44.7 26.6 9.1 14.4 82 82 A A H 3X S+ 0 0 66 -4,-0.5 4,-2.0 1,-0.2 -1,-0.3 0.920 107.8 46.6 -53.0 -51.1 26.8 12.5 15.8 83 83 A L H <> S+ 0 0 53 -3,-0.6 4,-2.1 1,-0.2 -2,-0.2 0.769 111.0 51.6 -67.8 -31.9 23.1 13.0 15.2 84 84 A S H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.902 106.5 54.6 -69.5 -40.2 22.2 9.6 16.7 85 85 A D H X S+ 0 0 64 -4,-3.1 4,-2.9 1,-0.2 5,-0.4 0.978 111.8 46.0 -52.1 -57.6 24.2 10.5 19.8 86 86 A L H X>S+ 0 0 68 -4,-2.0 4,-2.3 1,-0.2 5,-2.0 0.862 115.9 41.9 -47.7 -51.3 22.2 13.6 20.2 87 87 A H H <>S+ 0 0 37 -4,-2.1 5,-1.3 3,-0.2 6,-0.6 0.876 117.2 48.5 -72.9 -38.3 18.8 12.1 19.6 88 88 A A H <5S+ 0 0 5 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.879 127.5 21.8 -68.9 -41.7 19.6 9.0 21.8 89 89 A H H <5S+ 0 0 95 -4,-2.9 -2,-0.2 -5,-0.3 -3,-0.2 0.700 132.9 24.2-108.5 -19.8 21.0 10.9 24.8 90 90 A K T <5S+ 0 0 143 -4,-2.3 -3,-0.2 -5,-0.4 -4,-0.1 0.787 127.5 31.3-116.9 -61.0 19.7 14.5 24.8 91 91 A L T - 0 0 6 -2,-0.4 3,-3.6 1,-0.2 4,-0.2 -0.428 26.2-122.7 -62.9 130.9 10.3 8.4 21.0 95 95 A P G >> S+ 0 0 35 0, 0.0 3,-2.1 0, 0.0 4,-0.8 0.754 104.9 72.5 -39.1 -40.7 11.2 6.3 17.9 96 96 A V G >4 S+ 0 0 56 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.769 87.2 65.1 -56.4 -36.2 7.6 6.4 16.7 97 97 A N G <> S+ 0 0 11 -3,-3.6 4,-1.4 1,-0.2 3,-0.4 0.548 89.8 63.8 -68.2 -13.4 8.0 10.1 15.8 98 98 A F H <> S+ 0 0 21 -3,-2.1 4,-2.5 1,-0.3 -1,-0.2 0.770 99.3 54.3 -67.3 -39.0 10.6 9.4 13.1 99 99 A K H S+ 0 0 38 -4,-0.4 4,-1.3 -3,-0.4 -2,-0.2 0.809 113.5 44.8 -81.4 -36.2 5.6 10.5 11.2 101 101 A L H X S+ 0 0 35 -4,-1.4 4,-1.8 2,-0.2 5,-0.3 0.906 107.4 56.7 -75.9 -46.1 8.1 13.0 10.1 102 102 A S H X S+ 0 0 15 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.828 109.2 50.8 -48.5 -33.7 9.5 10.7 7.3 103 103 A H H X S+ 0 0 18 -4,-0.7 4,-2.5 2,-0.2 5,-0.2 0.872 106.7 50.4 -74.6 -44.7 5.8 10.6 6.0 104 104 A C H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.814 110.9 52.5 -67.5 -24.0 5.4 14.4 6.1 105 105 A L H X S+ 0 0 18 -4,-1.8 4,-2.5 2,-0.2 5,-0.4 0.849 108.9 47.8 -73.5 -47.4 8.8 14.5 4.1 106 106 A L H X S+ 0 0 4 -4,-1.5 4,-2.1 -5,-0.3 -2,-0.2 0.938 113.7 48.9 -59.9 -45.2 7.4 12.0 1.4 107 107 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.961 109.9 50.9 -62.7 -51.5 4.3 14.1 1.2 108 108 A T H X S+ 0 0 2 -4,-2.0 4,-0.6 -5,-0.2 -2,-0.2 0.940 115.4 41.7 -54.8 -49.3 6.3 17.4 0.8 109 109 A L H >X S+ 0 0 8 -4,-2.5 4,-1.9 2,-0.2 3,-0.7 0.863 111.0 55.7 -66.8 -37.7 8.4 15.9 -2.0 110 110 A A H 3< S+ 0 0 0 -4,-2.1 3,-0.4 -5,-0.4 -1,-0.2 0.986 108.9 50.2 -57.2 -46.5 5.5 14.3 -3.6 111 111 A A H 3< S+ 0 0 8 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.580 119.7 32.1 -68.8 -14.3 4.0 17.8 -3.6 112 112 A H H << S+ 0 0 44 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.412 115.7 53.6-116.0 -18.3 6.9 19.6 -5.2 113 113 A L X + 0 0 4 -4,-1.9 4,-1.9 -3,-0.4 3,-0.3 -0.517 59.4 159.4-121.9 50.4 8.5 16.9 -7.6 114 114 A P T 4 S+ 0 0 74 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.773 76.0 44.2 -40.7 -60.5 5.4 16.0 -9.5 115 115 A A T 4 S+ 0 0 80 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.509 115.5 42.5 -56.3 -40.4 7.6 14.6 -12.3 116 116 A E T 4 S+ 0 0 59 -3,-0.3 2,-2.0 1,-0.2 -1,-0.2 0.708 87.3 96.9 -88.8 -16.0 10.1 12.7 -10.4 117 117 A F < + 0 0 2 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.1 -0.232 53.5 154.6 -86.8 67.7 7.7 11.1 -7.8 118 118 A T > - 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0 0 65 -2,-2.9 4,-3.5 1,-0.1 3,-1.2 -0.452 58.4 -94.6 -82.2 166.2 14.4 -8.7 37.0 408 519 C P H 3> S+ 0 0 20 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.851 126.7 42.0 -52.3 -42.8 14.4 -5.1 35.5 409 520 C A H 3> S+ 0 0 31 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.710 115.1 50.2 -79.2 -21.8 17.7 -5.5 33.7 410 521 C V H <> S+ 0 0 18 -3,-1.2 4,-2.1 2,-0.2 5,-0.3 0.872 112.8 49.3 -81.4 -35.4 16.8 -9.1 32.6 411 522 C H H X S+ 0 0 2 -4,-3.5 4,-2.0 1,-0.2 -2,-0.2 0.918 110.8 47.9 -62.0 -49.6 13.6 -7.7 31.4 412 523 C A H X S+ 0 0 15 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.799 112.2 51.2 -59.8 -39.6 15.3 -4.9 29.5 413 524 C S H X S+ 0 0 2 -4,-1.2 4,-3.0 2,-0.2 -1,-0.2 0.830 109.4 47.0 -62.6 -50.0 17.8 -7.4 27.9 414 525 C L H X S+ 0 0 4 -4,-2.1 4,-3.6 2,-0.2 5,-0.3 0.946 110.3 55.8 -62.7 -43.8 15.1 -9.8 26.6 415 526 C D H X S+ 0 0 17 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.985 109.1 44.2 -52.4 -56.8 13.3 -6.9 25.2 416 527 C K H X S+ 0 0 18 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.928 115.2 52.8 -62.6 -33.0 16.4 -5.7 23.2 417 528 C F H X S+ 0 0 3 -4,-3.0 4,-2.5 1,-0.3 3,-0.4 0.927 108.3 45.5 -58.5 -64.5 16.9 -9.4 22.2 418 529 C L H X S+ 0 0 11 -4,-3.6 4,-1.4 1,-0.3 -1,-0.3 0.795 112.0 56.3 -52.0 -33.1 13.4 -9.9 20.9 419 530 C A H X S+ 0 0 42 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.3 0.880 107.1 46.5 -72.7 -39.7 13.7 -6.6 19.1 420 531 C S H X S+ 0 0 23 -4,-1.9 4,-1.7 -3,-0.4 -2,-0.2 0.909 110.8 50.4 -78.4 -31.2 16.8 -7.6 17.3 421 532 C V H X S+ 0 0 10 -4,-2.5 4,-1.5 2,-0.2 5,-0.2 0.929 112.6 50.8 -62.7 -35.1 15.5 -11.0 16.2 422 533 C S H X S+ 0 0 19 -4,-1.4 4,-2.2 -5,-0.3 3,-0.3 0.968 108.3 50.4 -65.8 -43.6 12.4 -9.1 14.9 423 534 C T H < S+ 0 0 94 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.888 110.8 49.5 -61.3 -36.5 14.6 -6.7 13.1 424 535 C V H < S+ 0 0 18 -4,-1.7 4,-0.2 2,-0.2 -1,-0.2 0.730 108.1 54.0 -72.6 -31.6 16.5 -9.7 11.4 425 536 C L H >< S+ 0 0 19 -4,-1.5 3,-0.7 -3,-0.3 -48,-0.3 0.943 117.2 36.3 -73.1 -41.8 13.2 -11.4 10.4 426 537 C T G >< S+ 0 0 35 -4,-2.2 3,-1.2 -5,-0.2 4,-0.2 0.373 87.8 99.8 -95.8 12.4 12.0 -8.3 8.6 427 538 C S G 3 S+ 0 0 65 1,-0.3 3,-0.2 -3,-0.2 -1,-0.2 0.767 86.4 43.6 -73.4 -24.0 15.4 -7.1 7.2 428 539 C K G < S+ 0 0 69 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.1 -0.020 77.6 111.0-107.4 21.4 14.8 -8.5 3.7 429 540 C Y < 0 0 14 -3,-1.2 -1,-0.1 1,-0.1 -2,-0.1 0.794 360.0 360.0 -65.7 -29.3 11.1 -7.3 3.3 430 541 C R 0 0 82 -4,-0.2 -2,-0.1 -3,-0.2 -1,-0.1 0.417 360.0 360.0-162.1 360.0 12.1 -4.8 0.7 431 !* 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 0.0 432 544 D V 0 0 68 0, 0.0 2,-2.1 0, 0.0 132,-0.1 0.000 360.0 360.0 360.0 112.2 -13.8 0.4 26.5 433 545 D H + 0 0 155 130,-0.1 2,-0.5 77,-0.0 77,-0.1 -0.611 360.0 160.9 -81.8 92.0 -15.4 -2.7 25.1 434 546 D L - 0 0 18 -2,-2.1 126,-0.0 75,-0.1 0, 0.0 -0.957 34.4-143.6-117.9 136.1 -15.4 -4.8 28.0 435 547 D T > - 0 0 66 -2,-0.5 4,-3.7 1,-0.1 5,-0.1 -0.294 30.7-117.9 -69.8 163.1 -17.6 -7.9 28.6 436 548 D P H > S+ 0 0 80 0, 0.0 4,-4.0 0, 0.0 5,-0.3 0.835 121.5 56.8 -78.2 -28.0 -18.7 -8.2 32.3 437 549 D E H > S+ 0 0 135 2,-0.2 4,-0.7 1,-0.2 -3,-0.0 0.883 109.6 43.2 -61.3 -46.7 -16.7 -11.4 32.1 438 550 D E H >> S+ 0 0 42 2,-0.2 4,-1.0 1,-0.2 3,-0.5 0.936 118.7 44.3 -63.8 -55.1 -13.8 -9.3 31.1 439 551 D K H 3X S+ 0 0 83 -4,-3.7 4,-2.3 1,-0.3 3,-0.3 0.793 109.1 53.7 -63.8 -37.8 -14.6 -6.7 33.7 440 552 D S H 3X S+ 0 0 58 -4,-4.0 4,-1.4 1,-0.2 -1,-0.3 0.756 111.3 51.4 -67.6 -18.3 -15.3 -9.0 36.5 441 553 D A H << S+ 0 0 26 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.790 111.2 44.0 -80.5 -32.5 -11.9 -10.4 35.7 442 554 D V H X S+ 0 0 0 -4,-1.0 4,-2.0 -3,-0.3 3,-0.5 0.791 114.1 49.1 -75.3 -51.3 -10.1 -7.2 35.8 443 555 D T H X S+ 0 0 81 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.896 109.2 54.4 -62.9 -44.3 -11.8 -6.0 39.0 444 556 D A H < S+ 0 0 54 -4,-1.4 -1,-0.2 -5,-0.3 4,-0.2 0.645 111.3 42.9 -70.5 -15.1 -11.1 -9.2 40.7 445 557 D L H >4 S+ 0 0 7 -3,-0.5 3,-1.5 2,-0.1 -1,-0.2 0.862 109.6 55.3 -94.2 -39.5 -7.4 -9.2 40.1 446 558 D W H >< S+ 0 0 28 -4,-2.0 3,-2.8 1,-0.3 -2,-0.2 0.801 94.8 69.6 -53.7 -40.6 -6.9 -5.6 40.8 447 559 D G T 3< S+ 0 0 69 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.782 98.9 49.7 -51.4 -35.0 -8.5 -6.1 44.2 448 560 D K T < S+ 0 0 126 -3,-1.5 2,-0.4 -4,-0.2 -1,-0.3 0.173 88.0 119.1 -90.1 8.5 -5.4 -8.1 45.2 449 561 D V < - 0 0 24 -3,-2.8 2,-0.8 4,-0.0 3,-0.1 -0.729 56.4-151.8 -86.0 129.9 -3.0 -5.3 43.9 450 562 D N > - 0 0 73 -2,-0.4 4,-1.9 1,-0.1 5,-0.3 -0.874 17.5-164.7 -86.2 95.8 -0.6 -3.6 46.4 451 563 D V H > S+ 0 0 21 -2,-0.8 4,-3.0 3,-0.2 5,-0.5 0.895 79.1 63.1 -62.6 -33.3 -0.6 -0.3 44.4 452 564 D D H > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.962 112.1 29.8 -52.4 -73.5 2.5 0.9 46.2 453 565 D E H > S+ 0 0 119 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.817 123.0 50.8 -59.7 -40.1 4.9 -1.8 45.1 454 566 D V H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.877 111.5 46.2 -73.6 -36.5 3.2 -2.3 41.7 455 567 D G H X S+ 0 0 1 -4,-3.0 4,-1.7 -5,-0.3 5,-0.3 0.913 115.9 47.9 -73.5 -33.4 3.1 1.4 40.7 456 568 D G H X S+ 0 0 3 -4,-1.9 4,-1.0 -5,-0.5 -2,-0.2 0.867 114.5 44.1 -71.1 -34.9 6.8 1.7 41.9 457 569 D E H X S+ 0 0 40 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.839 111.6 55.2 -75.3 -39.8 7.9 -1.4 40.0 458 570 D A H X S+ 0 0 1 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.872 112.0 40.7 -60.1 -48.2 5.9 -0.3 36.8 459 571 D L H X S+ 0 0 4 -4,-1.7 4,-2.0 2,-0.2 5,-0.2 0.791 114.7 52.2 -75.3 -34.9 7.5 3.2 36.5 460 572 D G H X S+ 0 0 0 -4,-1.0 4,-2.2 -5,-0.3 -2,-0.2 0.943 105.9 51.9 -74.0 -41.6 10.9 2.0 37.3 461 573 D R H X S+ 0 0 3 -4,-2.1 4,-5.0 2,-0.2 5,-0.3 0.896 111.1 52.4 -57.6 -32.9 10.9 -0.9 34.6 462 574 D L H X S+ 0 0 8 -4,-1.1 4,-1.7 2,-0.3 7,-0.4 0.953 108.4 47.6 -65.5 -52.7 9.9 1.9 32.1 463 575 D L H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.906 122.0 38.0 -58.6 -38.1 12.8 4.1 33.1 464 576 D V H < S+ 0 0 20 -4,-2.2 -2,-0.3 -5,-0.2 -1,-0.2 0.968 121.1 40.7 -82.5 -49.8 15.0 1.0 32.7 465 577 D V H < S+ 0 0 1 -4,-5.0 -3,-0.2 1,-0.3 -2,-0.2 0.901 127.9 29.1 -71.0 -42.9 13.5 -0.7 29.6 466 578 D Y S >< S- 0 0 27 -4,-1.7 3,-2.6 -5,-0.3 4,-0.4 -0.766 76.8-175.2-116.8 79.7 12.8 2.3 27.5 467 579 D P G > S+ 0 0 33 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.587 73.7 70.1 -55.5 -19.8 15.6 4.7 28.8 468 580 D W G > S+ 0 0 19 1,-0.2 3,-1.5 2,-0.2 -5,-0.1 0.676 82.8 70.8 -79.0 -15.5 14.4 7.6 26.8 469 581 D T G X S+ 0 0 2 -3,-2.6 3,-1.1 -7,-0.4 -1,-0.2 0.566 82.7 78.1 -69.4 -11.3 11.2 8.0 29.0 470 582 D Q G X + 0 0 43 -3,-0.6 3,-2.4 -4,-0.4 -1,-0.3 0.676 64.8 89.7 -68.4 -25.1 13.7 9.2 31.6 471 583 D R G < S+ 0 0 53 -3,-1.5 3,-0.4 1,-0.3 -1,-0.3 0.525 85.6 53.5 -49.4 -16.7 14.0 12.6 29.9 472 584 D F G < S+ 0 0 50 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.506 107.7 49.3-102.1 1.6 11.1 13.8 32.1 473 585 D F X + 0 0 29 -3,-2.4 3,-0.8 1,-0.1 -1,-0.2 -0.223 58.0 123.0-131.8 47.3 12.5 12.9 35.5 474 586 D E G > S+ 0 0 124 -3,-0.4 3,-1.1 1,-0.2 -1,-0.1 0.779 76.1 63.0 -82.4 -16.4 16.1 14.1 35.7 475 587 D S G 3 S+ 0 0 92 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.460 86.6 74.5 -71.5 -17.6 15.0 16.0 38.8 476 588 D F G < S- 0 0 34 -3,-0.8 2,-0.4 1,-0.2 14,-0.3 0.579 104.0-123.1 -68.2 -24.8 14.3 12.6 40.5 477 589 D G < + 0 0 44 -3,-1.1 2,-0.5 -4,-0.2 -1,-0.2 -0.861 62.5 9.1 122.7-150.0 18.0 11.9 40.9 478 590 D D + 0 0 95 -2,-0.4 10,-0.1 1,-0.1 3,-0.1 -0.728 51.8 159.3 -77.0 123.9 20.5 9.2 39.8 479 591 D L + 0 0 15 -2,-0.5 -1,-0.1 1,-0.0 6,-0.1 -0.151 35.9 118.9-134.4 21.3 18.8 6.8 37.3 480 592 D S S S+ 0 0 86 4,-0.0 3,-0.1 5,-0.0 -2,-0.1 0.463 72.9 38.8 -76.4 -1.4 22.0 5.6 35.9 481 593 D T S > S- 0 0 60 1,-0.2 4,-3.6 -3,-0.1 5,-0.2 -0.986 81.5-117.2-145.3 158.7 21.3 2.0 37.0 482 594 D P H > S+ 0 0 41 0, 0.0 4,-3.7 0, 0.0 5,-0.2 0.963 123.7 42.0 -50.8 -45.4 18.4 -0.3 37.2 483 595 D D H > S+ 0 0 133 2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.890 110.6 51.6 -73.5 -42.3 19.1 -0.2 40.9 484 596 D A H > S+ 0 0 22 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.862 121.3 40.6 -57.8 -32.2 19.7 3.5 41.2 485 597 D V H < S+ 0 0 2 -4,-3.6 3,-0.4 2,-0.2 -2,-0.3 0.925 114.7 46.6 -74.6 -53.3 16.4 3.6 39.4 486 598 D M H < S+ 0 0 37 -4,-3.7 -3,-0.2 1,-0.2 -2,-0.2 0.771 116.9 46.2 -56.7 -42.6 14.4 0.8 41.2 487 599 D G H < S+ 0 0 47 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.593 82.7 114.4 -77.1 -26.8 15.5 2.0 44.6 488 600 D N X - 0 0 16 -4,-0.6 4,-2.6 -3,-0.4 3,-0.2 -0.381 56.2-150.5 -66.2 123.6 14.8 5.8 44.0 489 601 D P H > S+ 0 0 92 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.594 96.1 57.2 -59.2 -26.3 11.9 7.1 46.3 490 602 D K H > S+ 0 0 97 -14,-0.3 4,-2.5 2,-0.2 5,-0.2 0.905 108.3 42.4 -74.8 -57.8 11.0 9.6 43.9 491 603 D V H > S+ 0 0 0 1,-0.2 4,-4.1 -3,-0.2 5,-0.2 0.902 118.5 52.7 -52.3 -39.5 10.4 7.1 41.0 492 604 D K H X S+ 0 0 87 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.956 111.9 39.2 -61.8 -50.9 8.7 5.0 43.7 493 605 D A H X S+ 0 0 63 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.745 114.7 54.3 -76.5 -24.4 6.4 7.6 45.0 494 606 D H H X S+ 0 0 44 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.927 107.6 54.2 -76.3 -37.0 5.8 8.8 41.4 495 607 D G H X>S+ 0 0 0 -4,-4.1 4,-2.5 1,-0.2 5,-0.6 0.948 109.3 44.2 -56.1 -58.3 4.8 5.1 40.6 496 608 D K H X5S+ 0 0 85 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.880 114.3 53.1 -56.3 -30.4 2.2 4.8 43.5 497 609 D K H X5S+ 0 0 141 -4,-1.0 4,-1.5 -5,-0.2 -2,-0.2 0.975 113.3 39.5 -68.0 -52.5 0.9 8.2 42.4 498 610 D V H X5S+ 0 0 37 -4,-2.1 4,-1.4 2,-0.3 -2,-0.2 0.902 121.7 43.1 -58.8 -56.4 0.4 7.3 38.7 499 611 D L H X5S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.876 108.2 64.2 -57.3 -37.2 -1.0 3.7 39.6 500 612 D G H XX S+ 0 0 20 -4,-1.4 3,-1.6 2,-0.2 4,-0.9 0.989 98.9 57.3 -65.5 -55.9 -4.9 4.3 37.2 503 615 D S H >X S+ 0 0 47 -4,-2.8 3,-0.8 1,-0.3 4,-0.6 0.909 104.1 53.9 -34.1 -53.4 -7.0 2.5 40.1 504 616 D D H >< S+ 0 0 81 -4,-1.2 3,-0.6 -5,-0.3 -1,-0.3 0.878 100.7 55.7 -60.7 -31.5 -9.7 5.2 39.9 505 617 D G H X< S+ 0 0 0 -3,-1.6 3,-2.7 -4,-0.9 6,-0.3 0.848 96.9 65.9 -74.8 -29.5 -10.4 5.0 36.1 506 618 D L H << S+ 0 0 20 -4,-0.9 3,-0.4 -3,-0.8 -1,-0.2 0.498 95.3 59.6 -60.5 -17.5 -11.1 1.2 36.7 507 619 D A T << S+ 0 0 74 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.538 115.4 32.8 -84.6 -12.4 -14.0 2.7 38.6 508 620 D H X + 0 0 61 -3,-2.7 3,-3.1 2,-0.0 7,-0.2 -0.336 64.1 147.8-143.3 42.5 -15.2 4.4 35.3 509 621 D L T 3 S+ 0 0 15 -3,-0.4 3,-0.4 1,-0.3 -3,-0.1 0.569 74.8 65.3 -51.5 -14.6 -14.2 2.0 32.6 510 622 D D T 3 S+ 0 0 151 1,-0.3 -1,-0.3 -5,-0.1 -4,-0.1 0.430 117.2 21.3 -91.9 -12.4 -17.4 3.4 31.0 511 623 D N <> + 0 0 77 -3,-3.1 4,-1.3 -6,-0.3 -1,-0.3 -0.357 61.5 148.9-160.3 77.3 -15.9 6.8 30.6 512 624 D L H > S+ 0 0 11 -3,-0.4 4,-1.2 3,-0.2 -3,-0.1 0.592 77.1 65.6 -85.2 -9.8 -12.2 6.7 30.8 513 625 D K H > S+ 0 0 119 2,-0.2 4,-0.7 3,-0.1 -1,-0.1 0.944 113.4 27.8 -72.3 -55.4 -12.4 9.8 28.3 514 626 D G H 4 S+ 0 0 46 2,-0.2 4,-0.3 1,-0.2 -2,-0.2 0.748 117.2 61.2 -79.1 -29.3 -14.1 12.3 31.1 515 627 D T H < S+ 0 0 29 -4,-1.3 3,-0.3 -7,-0.2 4,-0.3 0.975 118.2 30.7 -62.5 -46.9 -12.5 10.3 34.0 516 628 D F H X S+ 0 0 4 -4,-1.2 4,-1.7 1,-0.2 3,-0.2 0.525 85.8 108.4 -93.3 1.7 -9.2 11.4 32.4 517 629 D A H X S+ 0 0 15 -4,-0.7 4,-2.7 1,-0.2 -1,-0.2 0.763 84.0 39.7 -46.1 -43.2 -9.8 14.8 30.7 518 630 D T H > S+ 0 0 109 -3,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.851 115.4 50.2 -76.7 -44.9 -7.9 17.1 33.1 519 631 D L H > S+ 0 0 51 -4,-0.3 4,-1.7 -3,-0.2 5,-0.3 0.813 110.1 57.2 -62.5 -25.0 -5.0 14.8 33.5 520 632 D S H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 3,-0.4 0.994 107.8 42.3 -68.7 -61.7 -5.2 14.8 29.7 521 633 D E H X S+ 0 0 87 -4,-2.7 4,-2.6 1,-0.2 5,-0.4 0.848 114.4 52.5 -62.9 -29.3 -4.8 18.5 29.3 522 634 D L H X>S+ 0 0 53 -4,-2.6 5,-2.2 3,-0.2 4,-1.5 0.823 107.7 50.4 -67.3 -36.0 -2.0 18.6 32.0 523 635 D H H <>S+ 0 0 34 -4,-1.7 6,-2.3 -3,-0.4 5,-0.6 0.897 123.8 32.6 -64.7 -41.9 0.1 15.9 30.4 524 636 D C H <5S+ 0 0 6 -4,-1.8 4,-0.4 -5,-0.3 -2,-0.2 0.997 126.7 35.7 -72.8 -70.5 -0.2 17.8 27.1 525 637 D D H <5S+ 0 0 82 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.635 133.5 16.7 -67.4 -33.2 -0.3 21.4 28.1 526 638 D K T <5S+ 0 0 149 -4,-1.5 -3,-0.2 -5,-0.4 -2,-0.1 0.838 132.2 31.7-111.9 -49.6 2.1 21.4 31.1 527 639 D L T - 0 0 2 -2,-0.4 3,-2.2 1,-0.1 4,-0.2 -0.732 20.8-129.8 -72.6 128.1 4.2 12.2 24.3 531 643 D P T >> S+ 0 0 1 0, 0.0 3,-1.8 0, 0.0 4,-0.9 0.592 100.6 77.8 -58.0 -16.1 1.2 9.9 24.6 532 644 D E H 3> S+ 0 0 29 1,-0.3 4,-2.9 2,-0.2 3,-0.5 0.847 82.0 63.7 -65.1 -28.3 3.2 7.1 23.3 533 645 D N H <> S+ 0 0 11 -3,-2.2 4,-3.0 1,-0.2 -1,-0.3 0.731 96.1 62.4 -62.0 -19.4 4.8 6.8 26.7 534 646 D F H <> S+ 0 0 22 -3,-1.8 4,-2.1 2,-0.3 -1,-0.2 0.809 103.1 45.8 -77.1 -37.6 1.4 5.9 27.8 535 647 D R H X S+ 0 0 101 -4,-0.9 4,-2.4 -3,-0.5 -2,-0.2 0.917 110.7 54.9 -71.6 -47.8 1.4 2.9 25.6 536 648 D L H X S+ 0 0 19 -4,-2.9 4,-2.1 1,-0.2 -2,-0.3 0.911 108.8 47.1 -52.7 -51.4 4.8 2.1 26.9 537 649 D L H X S+ 0 0 37 -4,-3.0 4,-4.0 2,-0.2 -1,-0.2 0.923 107.4 55.5 -54.7 -48.1 3.6 2.2 30.5 538 650 D G H X S+ 0 0 5 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.962 109.1 49.0 -48.2 -53.4 0.5 0.0 29.8 539 651 D N H X S+ 0 0 52 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.924 113.2 45.9 -55.1 -46.4 2.8 -2.7 28.3 540 652 D V H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.899 111.6 54.1 -65.2 -40.1 5.2 -2.6 31.4 541 653 D L H >X S+ 0 0 4 -4,-4.0 4,-2.5 1,-0.2 3,-1.9 0.993 106.0 49.7 -50.7 -66.5 2.2 -2.6 33.7 542 654 D V H 3X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.3 -1,-0.2 0.847 112.6 49.4 -45.6 -35.3 0.8 -5.8 32.1 543 655 D C H 3X S+ 0 0 3 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.3 0.750 109.3 51.1 -77.7 -23.6 4.3 -7.4 32.5 544 656 D V H < S+ 0 0 29 -4,-2.6 3,-2.4 1,-0.2 4,-0.4 0.100 78.7 174.5-104.4 6.3 0.4 -13.1 39.7 550 662 D G G >< S+ 0 0 17 -4,-1.3 3,-2.7 1,-0.3 -1,-0.2 0.206 71.5 18.8 24.3-119.2 2.3 -15.7 37.7 551 663 D K G 3 S+ 0 0 174 1,-0.3 -1,-0.3 -151,-0.2 -151,-0.0 0.736 123.7 62.0 -40.3 -39.6 -0.2 -18.6 37.0 552 664 D E G < S+ 0 0 91 -3,-2.4 2,-1.2 1,-0.1 -1,-0.3 0.517 81.3 77.9 -69.1 -19.2 -3.2 -16.3 37.7 553 665 D F S < S- 0 0 0 -3,-2.7 -1,-0.1 -4,-0.4 -153,-0.1 -0.770 76.9-173.1-100.6 87.3 -2.7 -13.8 35.0 554 666 D T >> - 0 0 50 -2,-1.2 4,-3.6 1,-0.0 3,-0.6 -0.436 41.0 -98.2 -82.8 159.5 -4.1 -16.0 32.2 555 667 D P H 3> S+ 0 0 19 0, 0.0 4,-1.8 0, 0.0 -1,-0.0 0.783 129.5 44.3 -43.9 -52.0 -4.2 -15.5 28.4 556 668 D P H 3> S+ 0 0 74 0, 0.0 4,-0.9 0, 0.0 5,-0.2 0.724 113.4 47.7 -65.6 -37.2 -7.8 -14.3 28.9 557 669 D V H X> S+ 0 0 21 -3,-0.6 4,-2.0 2,-0.2 3,-0.7 0.923 111.2 53.2 -72.9 -41.1 -7.0 -12.1 32.0 558 670 D Q H 3X S+ 0 0 0 -4,-3.6 4,-2.8 1,-0.2 5,-0.2 0.941 106.2 54.8 -54.3 -46.6 -4.1 -10.6 30.1 559 671 D A H 3X S+ 0 0 9 -4,-1.8 4,-0.6 -5,-0.2 -1,-0.2 0.751 106.3 46.8 -63.2 -31.1 -6.4 -9.7 27.2 560 672 D A H S+ 0 0 12 -4,-2.2 4,-4.0 2,-0.2 5,-0.5 0.987 109.7 46.1 -69.2 -53.1 -6.3 4.4 29.4 569 681 D A H X5S+ 0 0 1 -4,-1.8 4,-1.4 1,-0.3 -2,-0.2 0.896 116.0 50.3 -51.2 -43.7 -3.5 5.5 27.0 570 682 D N H <5S+ 0 0 95 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.851 112.7 42.6 -69.5 -35.0 -6.3 6.6 24.7 571 683 D A H ><5S+ 0 0 2 -4,-2.1 3,-1.3 -3,-0.4 -2,-0.2 0.849 114.2 50.9 -80.6 -33.6 -8.2 8.6 27.3 572 684 D L H ><5S+ 0 0 25 -4,-4.0 3,-0.5 1,-0.3 -2,-0.2 0.870 114.9 49.2 -63.6 -31.1 -5.0 10.1 28.7 573 685 D A T 3<