==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN BINDING 17-SEP-07 2RAO . COMPND 2 MOLECULE: HEMOGLOBIN SUBUNIT ALPHA-1/2; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR S.SUNDARESAN,P.CHARLES,K.NEELAGANDAN,M.N.PONNUSWAMY . 574 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26112.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 446 77.7 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 . 13 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 331 57.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 3 0 2 0 1 2 0 2 1 1 2 3 0 2 9 1 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 33 0, 0.0 2,-0.4 0, 0.0 427,-0.1 0.000 360.0 360.0 360.0 122.2 5.0 16.0 5.6 2 2 A L - 0 0 16 71,-0.2 427,-0.1 125,-0.1 425,-0.0 -0.611 360.0-138.4 -83.6 130.2 5.9 18.8 3.2 3 3 A S > - 0 0 18 425,-0.4 4,-2.4 -2,-0.4 5,-0.2 -0.366 31.8-104.4 -73.4 162.7 9.4 20.5 3.4 4 4 A P H > S+ 0 0 94 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.935 125.6 50.4 -50.7 -47.7 9.7 24.3 3.0 5 5 A A H > S+ 0 0 60 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.870 106.5 54.6 -57.6 -41.8 11.1 23.7 -0.5 6 6 A D H > S+ 0 0 15 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.941 107.0 52.4 -55.8 -49.0 8.1 21.4 -1.4 7 7 A K H X S+ 0 0 51 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.874 111.1 45.2 -54.6 -49.0 5.7 24.2 -0.3 8 8 A T H X S+ 0 0 81 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.878 112.0 52.1 -58.9 -43.8 7.4 26.7 -2.7 9 9 A N H X S+ 0 0 42 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.955 113.2 45.2 -59.4 -45.9 7.5 24.1 -5.5 10 10 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.940 115.1 46.1 -64.7 -51.5 3.7 23.5 -5.1 11 11 A K H X S+ 0 0 92 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.952 115.8 44.4 -56.9 -52.2 2.7 27.2 -4.8 12 12 A T H X S+ 0 0 58 -4,-2.5 4,-1.0 1,-0.2 3,-0.3 0.888 114.1 49.1 -68.2 -37.2 4.8 28.3 -7.8 13 13 A A H X S+ 0 0 3 -4,-2.3 4,-1.8 -5,-0.3 3,-0.4 0.891 107.5 56.3 -60.4 -40.4 3.7 25.4 -10.0 14 14 A W H X S+ 0 0 30 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.728 99.7 59.6 -70.8 -24.7 0.0 26.0 -9.2 15 15 A E H < S+ 0 0 149 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.887 107.3 45.6 -61.0 -47.2 0.3 29.6 -10.4 16 16 A K H < S+ 0 0 102 -4,-1.0 -2,-0.2 -3,-0.4 3,-0.2 0.875 109.0 55.0 -63.7 -38.7 1.3 28.4 -13.8 17 17 A I H >< S+ 0 0 7 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.887 88.8 129.3 -71.8 -38.7 -1.5 25.8 -13.8 18 18 A G G >< + 0 0 41 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.158 63.3 15.0 54.8-124.7 -3.7 28.8 -13.1 19 19 A S G 3 S+ 0 0 108 1,-0.2 3,-0.3 -3,-0.2 -1,-0.2 0.622 119.2 62.6 -74.7 -12.2 -6.9 29.5 -15.1 20 20 A H G X> + 0 0 70 -3,-1.3 4,-1.8 1,-0.2 3,-1.1 0.369 66.5 114.0 -94.7 5.3 -7.1 26.0 -16.7 21 21 A G H <> S+ 0 0 7 -3,-1.2 4,-2.0 1,-0.2 3,-0.4 0.894 74.4 52.3 -35.8 -60.3 -7.5 24.2 -13.3 22 22 A G H 3> S+ 0 0 16 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.798 107.7 51.4 -52.4 -37.3 -11.1 23.1 -14.2 23 23 A E H <> S+ 0 0 110 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.877 108.5 49.8 -71.5 -42.8 -10.0 21.5 -17.5 24 24 A Y H X S+ 0 0 19 -4,-1.8 4,-2.6 -3,-0.4 -1,-0.2 0.858 109.3 55.3 -61.5 -37.1 -7.2 19.4 -16.0 25 25 A G H X S+ 0 0 1 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.947 107.6 46.6 -59.7 -50.5 -9.7 18.3 -13.3 26 26 A A H X S+ 0 0 12 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.880 114.3 48.0 -61.9 -42.2 -12.1 16.9 -15.9 27 27 A E H X S+ 0 0 40 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.882 109.1 52.1 -67.8 -41.8 -9.4 15.2 -17.9 28 28 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.903 111.6 48.2 -61.6 -41.9 -7.8 13.5 -14.8 29 29 A V H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.909 111.4 49.1 -63.6 -43.3 -11.2 12.2 -13.8 30 30 A E H X S+ 0 0 21 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.930 110.4 51.1 -65.3 -43.4 -11.9 10.8 -17.3 31 31 A R H X S+ 0 0 3 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.843 110.3 50.9 -57.9 -37.1 -8.5 9.2 -17.3 32 32 A M H X S+ 0 0 11 -4,-1.7 4,-2.4 -5,-0.2 7,-0.3 0.952 110.1 47.3 -67.0 -49.2 -9.3 7.6 -14.0 33 33 A F H < S+ 0 0 11 -4,-2.7 7,-0.2 1,-0.2 -2,-0.2 0.887 120.0 39.8 -62.2 -37.9 -12.7 6.2 -15.1 34 34 A L H < S+ 0 0 77 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.900 121.2 41.7 -73.1 -46.0 -11.2 4.8 -18.4 35 35 A G H < S+ 0 0 12 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.784 129.1 26.6 -72.2 -30.6 -7.9 3.5 -16.8 36 36 A F >< - 0 0 35 -4,-2.4 3,-2.5 -5,-0.2 4,-0.3 -0.688 68.4-178.2-140.2 69.3 -9.4 2.1 -13.6 37 37 A P G > S+ 0 0 81 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.719 76.0 71.4 -51.0 -30.2 -13.1 1.1 -14.4 38 38 A T G > S+ 0 0 62 1,-0.2 3,-1.4 2,-0.2 4,-0.1 0.788 85.5 67.6 -56.3 -28.6 -13.6 -0.1 -10.8 39 39 A T G X S+ 0 0 2 -3,-2.5 3,-1.5 -7,-0.3 -1,-0.2 0.729 84.6 72.5 -64.1 -23.8 -13.6 3.6 -9.6 40 40 A K G X S+ 0 0 79 -3,-1.5 3,-2.2 -4,-0.3 -1,-0.2 0.730 76.6 78.9 -64.9 -18.4 -16.9 4.2 -11.5 41 41 A T G < S+ 0 0 59 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.655 86.7 59.4 -69.2 -10.4 -18.8 2.2 -8.9 42 42 A Y G < S+ 0 0 37 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.528 105.6 50.3 -87.0 -6.6 -18.7 5.3 -6.7 43 43 A F X + 0 0 38 -3,-2.2 3,-1.7 -4,-0.1 -1,-0.2 -0.443 60.2 153.4-127.7 60.3 -20.5 7.3 -9.3 44 44 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.822 75.8 53.3 -66.9 -24.2 -23.6 5.2 -10.2 45 45 A H T 3 S+ 0 0 131 -3,-0.1 2,-0.2 2,-0.1 -2,-0.0 0.456 87.4 106.6 -85.9 -2.9 -25.5 8.3 -11.2 46 46 A F < - 0 0 26 -3,-1.7 2,-0.6 -6,-0.2 -3,-0.1 -0.494 66.8-133.6 -78.9 146.4 -22.9 9.7 -13.7 47 47 A D - 0 0 75 -2,-0.2 8,-0.4 1,-0.1 7,-0.2 -0.892 19.3-164.5 -90.1 123.6 -23.2 9.7 -17.5 48 48 A F + 0 0 63 -2,-0.6 -1,-0.1 6,-0.1 2,-0.1 0.315 41.5 128.4-100.0 8.5 -19.7 8.5 -18.6 49 49 A T S > S- 0 0 94 1,-0.1 3,-2.4 2,-0.1 6,-0.2 -0.419 72.8-109.3 -65.5 140.0 -19.9 9.5 -22.3 50 50 A H T 3 S+ 0 0 120 1,-0.3 -1,-0.1 -2,-0.1 -20,-0.1 0.774 113.8 47.2 -49.3 -39.4 -16.7 11.5 -23.1 51 51 A G T 3 S+ 0 0 49 4,-0.0 -1,-0.3 5,-0.0 5,-0.2 0.680 84.1 160.0 -73.2 -10.3 -18.3 15.0 -23.5 52 52 A S <> - 0 0 5 -3,-2.4 4,-2.2 1,-0.1 5,-0.2 0.343 40.4-152.9 -33.0 120.8 -20.3 14.6 -20.3 53 53 A E H > S+ 0 0 184 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.818 99.0 55.7 -50.0 -37.9 -21.5 17.8 -18.6 54 54 A Q H > S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.935 107.1 46.5 -70.4 -45.3 -21.4 15.9 -15.3 55 55 A I H > S+ 0 0 4 -8,-0.4 4,-3.1 2,-0.2 -2,-0.2 0.897 113.5 49.2 -60.3 -42.5 -17.8 14.9 -15.6 56 56 A K H X S+ 0 0 117 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.898 112.5 47.6 -67.2 -41.9 -16.8 18.5 -16.6 57 57 A A H X S+ 0 0 54 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.890 115.2 45.7 -61.8 -44.3 -18.8 20.0 -13.6 58 58 A H H X S+ 0 0 43 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.924 109.2 55.0 -67.4 -47.3 -17.1 17.4 -11.3 59 59 A G H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.878 107.6 51.3 -47.6 -45.6 -13.6 18.0 -12.7 60 60 A K H X S+ 0 0 102 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.890 108.9 49.4 -61.8 -45.4 -14.0 21.7 -12.0 61 61 A K H X S+ 0 0 129 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.893 109.3 51.2 -63.5 -40.1 -15.0 21.2 -8.4 62 62 A V H X S+ 0 0 29 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.925 110.7 51.4 -65.6 -39.2 -12.1 18.8 -7.7 63 63 A S H X S+ 0 0 9 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.917 107.3 51.4 -60.9 -44.8 -9.9 21.6 -9.2 64 64 A E H X S+ 0 0 99 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.900 108.5 52.8 -59.2 -40.3 -11.3 24.2 -6.9 65 65 A A H X S+ 0 0 28 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.898 109.1 47.6 -63.1 -39.5 -10.7 22.0 -3.9 66 66 A L H X S+ 0 0 13 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.869 110.3 53.0 -68.1 -39.2 -7.0 21.6 -4.8 67 67 A T H X S+ 0 0 72 -4,-1.9 4,-1.4 2,-0.2 3,-0.2 0.945 109.7 49.4 -60.3 -47.1 -6.6 25.3 -5.4 68 68 A K H >< S+ 0 0 107 -4,-2.5 3,-0.6 1,-0.2 4,-0.4 0.939 108.1 53.5 -57.0 -53.6 -8.0 25.9 -1.9 69 69 A A H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.822 103.0 57.0 -44.9 -44.8 -5.6 23.3 -0.4 70 70 A V H >< S+ 0 0 16 -4,-1.8 3,-0.8 1,-0.3 -1,-0.2 0.852 104.0 53.8 -63.8 -35.3 -2.6 25.1 -2.0 71 71 A G T << S+ 0 0 62 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.553 115.2 41.6 -69.3 -10.2 -3.7 28.3 -0.1 72 72 A H T X + 0 0 87 -3,-1.5 3,-1.7 -4,-0.4 7,-0.3 -0.079 63.5 138.9-133.7 39.8 -3.7 26.3 3.2 73 73 A L G X S+ 0 0 17 -3,-0.8 3,-0.5 1,-0.3 -71,-0.2 0.806 76.0 55.3 -54.8 -34.8 -0.6 24.0 3.2 74 74 A D G 3 S+ 0 0 135 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.634 120.6 28.8 -75.1 -14.7 0.1 24.7 6.9 75 75 A D G <> + 0 0 90 -3,-1.7 4,-2.5 -6,-0.2 -1,-0.2 -0.420 65.0 149.6-144.2 68.4 -3.4 23.6 7.9 76 76 A L H <> S+ 0 0 6 -3,-0.5 4,-2.3 2,-0.2 5,-0.1 0.931 77.0 54.7 -67.9 -43.7 -4.9 20.9 5.5 77 77 A P H 4 S+ 0 0 42 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.904 112.6 46.8 -55.1 -39.8 -7.0 19.2 8.1 78 78 A G H >4 S+ 0 0 26 1,-0.2 3,-0.8 2,-0.2 4,-0.2 0.950 115.6 41.5 -68.3 -54.0 -8.6 22.6 8.9 79 79 A A H 3< S+ 0 0 15 -4,-2.5 3,-0.2 -7,-0.3 -1,-0.2 0.785 121.3 42.3 -59.3 -29.1 -9.2 23.7 5.3 80 80 A L T 3X S+ 0 0 4 -4,-2.3 4,-1.7 -5,-0.2 3,-0.5 0.240 73.8 110.0-114.1 15.9 -10.5 20.3 4.1 81 81 A S H <> S+ 0 0 26 -3,-0.8 4,-3.0 -4,-0.3 5,-0.2 0.868 78.2 55.2 -67.8 -37.5 -12.7 19.0 6.9 82 82 A T H > S+ 0 0 95 -4,-0.2 4,-1.7 -3,-0.2 -1,-0.3 0.859 109.9 48.0 -59.5 -33.8 -16.0 19.3 5.0 83 83 A L H > S+ 0 0 44 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.822 109.8 52.5 -78.7 -28.0 -14.4 17.1 2.2 84 84 A S H X>S+ 0 0 1 -4,-1.7 4,-2.8 2,-0.2 5,-1.3 0.943 105.2 54.9 -69.1 -47.0 -13.2 14.6 4.8 85 85 A D H X>S+ 0 0 72 -4,-3.0 5,-2.2 1,-0.2 4,-0.7 0.936 114.7 42.1 -41.8 -54.2 -16.8 14.4 6.1 86 86 A L H <>S+ 0 0 75 -4,-1.7 5,-2.5 3,-0.2 6,-0.3 0.917 123.6 32.7 -66.0 -47.5 -17.9 13.6 2.6 87 87 A H H <>S+ 0 0 44 -4,-2.7 6,-2.0 3,-0.2 5,-0.6 0.907 130.2 29.6 -84.1 -42.4 -15.1 11.1 1.6 88 88 A A H <5S+ 0 0 10 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.899 130.3 29.9 -85.1 -47.5 -14.3 9.4 4.9 89 89 A H T < - 0 0 8 -2,-0.2 3,-2.1 1,-0.1 4,-0.4 -0.546 23.5-127.6 -65.4 126.3 -11.2 2.9 -0.1 95 95 A P T >> S+ 0 0 30 0, 0.0 3,-1.2 0, 0.0 4,-1.1 0.755 103.5 74.0 -49.7 -30.0 -7.8 4.8 0.1 96 96 A V H 3> S+ 0 0 32 1,-0.2 4,-1.3 2,-0.2 3,-0.4 0.868 89.4 59.7 -48.9 -37.8 -6.5 2.8 -2.9 97 97 A N H <> S+ 0 0 18 -3,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.789 96.6 59.9 -67.9 -27.0 -8.7 5.0 -5.1 98 98 A F H <> S+ 0 0 29 -3,-1.2 4,-2.3 -4,-0.4 -1,-0.2 0.876 101.3 53.4 -67.0 -37.9 -6.9 8.1 -4.0 99 99 A K H X S+ 0 0 110 -4,-1.1 4,-1.9 -3,-0.4 -1,-0.2 0.845 109.3 51.5 -62.9 -32.8 -3.6 6.8 -5.3 100 100 A L H X S+ 0 0 21 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.951 112.5 42.0 -71.6 -46.3 -5.4 6.2 -8.7 101 101 A L H X S+ 0 0 38 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.916 113.7 53.7 -67.0 -37.5 -6.8 9.8 -9.0 102 102 A S H X S+ 0 0 14 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.909 109.4 48.5 -62.5 -44.8 -3.5 11.3 -7.7 103 103 A H H X S+ 0 0 14 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.947 111.6 49.8 -60.0 -44.4 -1.6 9.3 -10.4 104 104 A C H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.860 107.6 53.8 -63.9 -35.9 -4.1 10.5 -13.1 105 105 A L H X S+ 0 0 18 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.947 110.4 46.7 -61.7 -46.8 -3.7 14.1 -12.0 106 106 A L H X S+ 0 0 4 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.905 110.0 53.0 -62.2 -41.2 0.1 13.9 -12.4 107 107 A V H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.904 112.2 46.9 -55.7 -40.4 -0.4 12.3 -15.8 108 108 A T H X S+ 0 0 0 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.897 112.7 46.9 -76.0 -40.0 -2.6 15.2 -16.7 109 109 A L H X S+ 0 0 11 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.911 112.0 50.0 -70.1 -41.8 -0.2 17.9 -15.4 110 110 A A H < S+ 0 0 0 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.864 109.0 56.5 -58.5 -34.4 2.8 16.4 -17.0 111 111 A N H < S+ 0 0 12 -4,-1.4 -2,-0.2 -5,-0.3 151,-0.2 0.882 118.6 27.5 -61.8 -41.9 0.7 16.3 -20.3 112 112 A H H < S+ 0 0 74 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.683 129.6 35.6-101.1 -23.7 -0.1 20.0 -20.4 113 113 A H X + 0 0 33 -4,-2.3 4,-1.5 -5,-0.2 3,-0.5 -0.430 59.7 154.2-129.6 58.9 2.9 21.6 -18.6 114 114 A P T 4 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.832 74.0 57.7 -62.5 -31.0 6.0 19.6 -19.4 115 115 A S T 4 S+ 0 0 101 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.891 111.8 40.3 -62.0 -40.0 8.3 22.6 -18.8 116 116 A E T 4 S+ 0 0 62 -3,-0.5 2,-2.0 1,-0.2 -1,-0.2 0.761 96.6 84.1 -77.7 -26.5 7.1 23.0 -15.2 117 117 A F < + 0 0 6 -4,-1.5 -1,-0.2 -8,-0.2 -2,-0.0 -0.394 60.5 157.8 -84.2 60.2 7.0 19.3 -14.5 118 118 A T > - 0 0 60 -2,-2.0 4,-3.2 -3,-0.1 5,-0.2 -0.297 59.5-100.2 -69.5 162.2 10.6 18.8 -13.6 119 119 A P H > S+ 0 0 22 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.915 124.5 50.5 -52.5 -40.4 11.7 15.8 -11.4 120 120 A A H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.896 113.0 44.6 -69.6 -37.9 11.8 18.1 -8.3 121 121 A V H > S+ 0 0 19 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.912 110.5 55.0 -68.7 -43.2 8.3 19.5 -8.9 122 122 A H H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.948 109.2 49.9 -50.3 -47.7 7.0 16.0 -9.7 123 123 A A H X S+ 0 0 18 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.948 111.7 45.4 -57.7 -50.4 8.3 14.9 -6.3 124 124 A S H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.873 113.6 50.2 -64.1 -39.8 6.7 17.8 -4.3 125 125 A L H X S+ 0 0 3 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.884 107.0 53.5 -67.8 -42.6 3.3 17.4 -6.1 126 126 A D H X S+ 0 0 33 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.928 112.1 44.9 -52.3 -50.8 3.2 13.6 -5.4 127 127 A K H X S+ 0 0 42 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.912 111.0 55.0 -64.6 -39.2 3.7 14.4 -1.7 128 128 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.951 111.6 43.8 -53.1 -55.1 1.1 17.2 -1.9 129 129 A L H X S+ 0 0 9 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.873 111.9 53.1 -63.7 -38.4 -1.5 14.7 -3.3 130 130 A A H X S+ 0 0 50 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.873 110.6 47.4 -60.1 -41.0 -0.5 12.1 -0.8 131 131 A N H X S+ 0 0 47 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.919 112.5 48.5 -66.4 -45.2 -1.0 14.6 2.1 132 132 A V H X S+ 0 0 12 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.928 110.6 52.9 -57.1 -47.0 -4.4 15.7 0.7 133 133 A S H X S+ 0 0 16 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.847 106.0 52.9 -56.8 -41.5 -5.4 12.0 0.3 134 134 A T H < S+ 0 0 67 -4,-1.7 4,-0.4 1,-0.2 3,-0.3 0.916 109.8 48.3 -66.5 -43.2 -4.6 11.2 4.0 135 135 A V H >< S+ 0 0 6 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.922 111.5 49.0 -56.5 -47.3 -6.8 14.1 5.2 136 136 A L H 3< S+ 0 0 15 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.676 113.5 46.5 -77.0 -14.3 -9.8 13.0 3.0 137 137 A T T 3< S+ 0 0 35 -4,-1.3 2,-0.4 -3,-0.3 -1,-0.3 0.392 98.2 90.6-102.7 1.7 -9.6 9.4 4.1 138 138 A S < - 0 0 16 -3,-1.1 2,-0.9 -4,-0.4 -50,-0.2 -0.846 66.6-142.5-106.3 137.4 -9.3 10.1 7.8 139 139 A K + 0 0 71 -2,-0.4 153,-0.3 1,-0.1 -3,-0.1 -0.821 43.2 143.4 -89.1 105.8 -12.0 10.5 10.4 140 140 A Y 0 0 12 -2,-0.9 -1,-0.1 -5,-0.1 -59,-0.0 0.304 360.0 360.0-129.0 9.8 -10.7 13.3 12.7 141 141 A R 0 0 190 151,-0.1 -1,-0.1 -60,-0.1 151,-0.1 -0.663 360.0 360.0-115.4 360.0 -13.8 15.4 13.7 142 !* 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 0.0 143 1 B V 0 0 48 0, 0.0 2,-0.6 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 143.2 -2.8 -9.3 -20.3 144 2 B H + 0 0 164 77,-0.0 2,-0.4 130,-0.0 77,-0.0 -0.902 360.0 175.0-113.4 119.1 -5.6 -9.2 -22.8 145 3 B L - 0 0 30 -2,-0.6 126,-0.0 129,-0.0 75,-0.0 -0.939 31.9-118.4-117.2 137.9 -5.9 -6.3 -25.1 146 4 B S > - 0 0 62 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.285 37.5-104.3 -59.7 160.5 -8.3 -5.9 -28.0 147 5 B S H > S+ 0 0 100 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.851 124.9 54.0 -60.9 -30.9 -6.7 -5.6 -31.4 148 6 B E H > S+ 0 0 164 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.896 109.4 46.6 -66.4 -42.2 -7.5 -1.8 -31.3 149 7 B E H > S+ 0 0 45 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.930 110.6 53.1 -61.8 -48.0 -5.7 -1.5 -27.9 150 8 B K H X S+ 0 0 107 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.879 109.8 47.8 -56.0 -42.8 -2.7 -3.5 -29.2 151 9 B S H X S+ 0 0 72 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.851 111.8 49.5 -67.4 -40.0 -2.3 -1.2 -32.3 152 10 B A H X S+ 0 0 34 -4,-1.7 4,-1.7 2,-0.2 5,-0.2 0.943 114.3 46.4 -61.7 -48.0 -2.5 2.0 -30.1 153 11 B V H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.946 117.2 41.4 -59.3 -47.9 0.1 0.6 -27.7 154 12 B T H X S+ 0 0 69 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.889 111.0 56.7 -75.2 -37.6 2.6 -0.6 -30.4 155 13 B A H < S+ 0 0 64 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.895 113.0 40.3 -55.6 -42.9 2.1 2.5 -32.6 156 14 B L H >< S+ 0 0 7 -4,-1.7 3,-1.8 1,-0.2 4,-0.4 0.913 111.8 55.9 -76.5 -39.6 3.1 4.8 -29.7 157 15 B W H >< S+ 0 0 34 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.838 97.6 64.1 -64.1 -33.4 5.9 2.5 -28.5 158 16 B G T 3< S+ 0 0 69 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.701 101.3 52.3 -59.4 -21.5 7.5 2.6 -32.0 159 17 B K T < S+ 0 0 126 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.525 84.2 118.1 -94.0 -4.9 8.1 6.3 -31.4 160 18 B V < - 0 0 12 -3,-1.6 2,-1.3 -4,-0.4 3,-0.1 -0.401 67.5-129.6 -72.6 131.9 9.8 5.9 -28.0 161 19 B N >> - 0 0 82 -2,-0.2 4,-2.6 1,-0.2 3,-1.2 -0.678 21.5-169.7 -78.4 95.5 13.4 7.0 -27.7 162 20 B V T 34 S+ 0 0 74 -2,-1.3 4,-0.2 1,-0.3 -1,-0.2 0.670 82.8 62.7 -63.6 -21.8 14.8 3.9 -26.2 163 21 B E T 34 S+ 0 0 107 -3,-0.1 -1,-0.3 3,-0.1 4,-0.2 0.851 120.2 15.1 -62.2 -39.4 18.0 5.9 -25.5 164 22 B E T <> S+ 0 0 92 -3,-1.2 4,-2.1 2,-0.1 -2,-0.2 0.788 107.2 69.6-118.0 -38.7 16.3 8.4 -23.1 165 23 B V H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.896 99.9 54.9 -58.4 -42.5 12.9 7.4 -21.8 166 24 B G H > S+ 0 0 3 -5,-0.4 4,-2.9 2,-0.2 5,-0.3 0.942 109.6 45.7 -55.0 -49.5 14.3 4.6 -19.6 167 25 B G H > S+ 0 0 9 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.874 113.1 51.6 -65.3 -34.8 16.8 7.0 -17.9 168 26 B E H X S+ 0 0 43 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.925 112.7 44.4 -66.7 -43.3 14.0 9.5 -17.4 169 27 B A H X S+ 0 0 5 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.948 117.8 42.9 -68.1 -47.1 11.7 6.9 -15.8 170 28 B L H X S+ 0 0 4 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.925 113.7 53.4 -62.7 -44.6 14.4 5.4 -13.5 171 29 B G H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.905 110.3 45.9 -54.1 -51.3 15.7 8.8 -12.6 172 30 B R H X S+ 0 0 4 -4,-2.2 4,-3.4 1,-0.2 5,-0.3 0.867 107.7 57.4 -61.7 -39.0 12.2 10.1 -11.5 173 31 B L H X S+ 0 0 10 -4,-2.1 4,-2.2 1,-0.2 7,-0.3 0.923 109.3 46.3 -54.4 -44.7 11.5 6.9 -9.5 174 32 B L H < S+ 0 0 0 -4,-2.0 7,-0.3 2,-0.2 -1,-0.2 0.805 117.5 42.5 -73.4 -31.8 14.7 7.6 -7.5 175 33 B V H < S+ 0 0 18 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.930 120.9 39.3 -74.6 -49.7 13.8 11.3 -7.0 176 34 B V H < S+ 0 0 9 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.775 126.5 33.8 -74.8 -30.2 10.0 10.8 -6.2 177 35 B Y S >< S- 0 0 25 -4,-2.2 3,-2.4 -5,-0.3 4,-0.3 -0.736 75.4-177.8-127.6 74.7 10.3 7.7 -4.1 178 36 B P G > S+ 0 0 24 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.680 72.0 71.3 -62.7 -19.9 13.7 8.3 -2.4 179 37 B W G > S+ 0 0 46 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.803 85.7 69.7 -61.6 -28.8 13.8 5.0 -0.5 180 38 B T G X S+ 0 0 4 -3,-2.4 3,-1.5 -7,-0.3 4,-0.4 0.741 81.4 75.5 -62.7 -20.3 14.4 3.3 -3.9 181 39 B Q G X S+ 0 0 14 -3,-1.4 3,-1.4 -7,-0.3 -1,-0.3 0.753 79.5 72.1 -57.4 -26.3 17.9 4.9 -3.9 182 40 B R G X S+ 0 0 63 -3,-1.8 3,-0.8 1,-0.3 -1,-0.3 0.827 92.7 54.7 -65.6 -29.0 18.9 2.3 -1.3 183 41 B F G < S+ 0 0 60 -3,-1.5 -1,-0.3 -4,-0.3 3,-0.2 0.650 112.1 43.6 -74.5 -13.0 18.8 -0.4 -4.1 184 42 B F G X + 0 0 35 -3,-1.4 3,-2.3 -4,-0.4 -1,-0.2 -0.051 67.2 127.1-129.1 26.8 21.2 1.5 -6.3 185 43 B E G X + 0 0 102 -3,-0.8 3,-1.5 1,-0.3 -1,-0.1 0.821 66.9 68.7 -62.6 -30.6 23.9 2.8 -3.9 186 44 B S G 3 S+ 0 0 104 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.534 85.4 73.3 -60.1 -6.5 26.6 1.3 -6.0 187 45 B F G < S- 0 0 32 -3,-2.3 2,-0.3 1,-0.3 14,-0.3 0.582 103.2-124.3 -87.0 -8.7 25.7 4.0 -8.7 188 46 B G < + 0 0 46 -3,-1.5 2,-0.4 -4,-0.2 -1,-0.3 -0.751 65.9 12.1 103.9-148.3 27.3 6.8 -6.6 189 47 B D + 0 0 98 -2,-0.3 3,-0.1 1,-0.1 10,-0.1 -0.504 49.8 159.5 -75.8 117.0 25.9 10.0 -5.3 190 48 B L + 0 0 6 -2,-0.4 -1,-0.1 1,-0.1 6,-0.1 -0.050 35.2 122.8-119.2 30.8 22.1 10.2 -5.6 191 49 B S S S+ 0 0 87 4,-0.1 2,-0.3 5,-0.0 3,-0.1 0.160 72.8 28.5 -87.2 15.6 21.7 12.9 -3.0 192 50 B S S > S- 0 0 57 1,-0.1 4,-2.3 -3,-0.1 5,-0.1 -0.956 79.4-110.5-164.7 163.7 20.0 15.4 -5.3 193 51 B A H > S+ 0 0 35 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.908 117.6 49.8 -57.9 -48.4 17.7 15.6 -8.3 194 52 B N H > S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 111.2 48.3 -59.5 -45.3 20.5 17.0 -10.5 195 53 B A H > S+ 0 0 15 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.886 113.2 48.7 -64.9 -38.2 23.0 14.2 -9.5 196 54 B V H >< S+ 0 0 0 -4,-2.3 3,-1.0 2,-0.2 -2,-0.2 0.971 113.7 43.7 -62.8 -54.6 20.3 11.5 -10.2 197 55 B M H 3< S+ 0 0 41 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.769 118.2 44.7 -70.5 -28.6 19.3 12.7 -13.6 198 56 B N H 3< S+ 0 0 86 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.540 84.0 114.1 -90.2 -4.7 22.8 13.4 -14.8 199 57 B N S+ 0 0 98 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.788 93.7 57.7 -63.5 -24.7 25.4 7.9 -16.4 201 59 B K H > S+ 0 0 117 -14,-0.3 4,-2.9 2,-0.2 5,-0.2 0.874 104.1 52.8 -74.3 -35.3 24.7 4.6 -14.6 202 60 B V H > S+ 0 0 2 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.920 111.7 45.6 -57.3 -47.4 21.1 5.6 -14.1 203 61 B K H X S+ 0 0 81 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.934 113.8 48.7 -63.9 -46.6 20.8 6.3 -17.9 204 62 B A H X S+ 0 0 53 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.926 114.6 45.7 -59.7 -46.6 22.5 3.0 -18.8 205 63 B H H X S+ 0 0 53 -4,-2.9 4,-2.3 1,-0.2 3,-0.4 0.906 107.4 57.2 -60.9 -42.9 20.3 1.1 -16.3 206 64 B G H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.3 -1,-0.2 0.848 103.0 55.3 -59.1 -37.9 17.1 2.8 -17.6 207 65 B K H X S+ 0 0 76 -4,-1.8 4,-2.1 2,-0.2 -1,-0.3 0.886 107.1 49.9 -58.6 -43.6 17.8 1.6 -21.1 208 66 B K H X S+ 0 0 149 -4,-1.1 4,-1.7 -3,-0.4 -2,-0.2 0.913 109.6 50.9 -64.8 -44.9 18.0 -2.1 -19.7 209 67 B V H X S+ 0 0 35 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.952 111.8 47.4 -54.1 -49.4 14.6 -1.7 -17.9 210 68 B L H X S+ 0 0 5 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.844 106.0 56.8 -65.6 -39.7 13.0 -0.4 -21.1 211 69 B A H X S+ 0 0 52 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.857 108.0 50.6 -57.8 -35.2 14.4 -3.1 -23.3 212 70 B A H X S+ 0 0 25 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.903 107.7 50.6 -67.7 -46.6 12.7 -5.5 -20.8 213 71 B F H X S+ 0 0 21 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.870 109.7 53.6 -55.0 -42.2 9.3 -3.7 -21.2 214 72 B S H X S+ 0 0 39 -4,-2.4 4,-1.0 2,-0.2 3,-0.4 0.940 106.7 50.1 -56.7 -52.3 9.8 -4.0 -25.0 215 73 B E H >< S+ 0 0 106 -4,-2.1 3,-1.0 1,-0.2 4,-0.3 0.920 107.8 54.1 -52.1 -48.4 10.3 -7.7 -24.7 216 74 B G H >< S+ 0 0 1 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.834 101.3 59.9 -52.9 -36.8 7.1 -8.0 -22.6 217 75 B L H 3< S+ 0 0 17 -4,-1.4 3,-0.5 -3,-0.4 -1,-0.2 0.774 103.9 49.6 -65.2 -29.5 5.2 -6.1 -25.4 218 76 B S T << S+ 0 0 86 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.448 118.8 41.2 -84.2 0.3 6.0 -8.9 -27.9 219 77 B H X + 0 0 76 -3,-1.4 3,-1.8 -4,-0.3 -1,-0.2 -0.174 63.6 142.2-147.0 37.8 4.8 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103.6 52.1 -55.8 -42.8 -0.5 5.4 31.0 305 16 C K H 3< S+ 0 0 91 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.699 94.3 68.6 -74.2 -22.2 -1.3 1.7 31.5 306 17 C I H >< S+ 0 0 9 -4,-0.8 3,-1.8 -3,-0.3 -1,-0.2 0.803 79.6 169.9 -66.8 -26.2 1.8 0.5 29.7 307 18 C G G X< - 0 0 54 -3,-0.8 3,-0.5 -4,-0.7 -1,-0.2 -0.231 62.1 -19.4 58.5-133.1 3.7 2.0 32.8 308 19 C S G 3 S+ 0 0 105 1,-0.2 3,-0.3 -3,-0.1 -1,-0.2 0.308 118.2 84.9 -93.1 8.1 7.4 1.1 32.9 309 20 C H G <> + 0 0 83 -3,-1.8 4,-2.2 1,-0.2 3,-0.4 0.415 53.4 106.7 -92.3 2.4 7.3 -2.0 30.6 310 21 C G H <> S+ 0 0 10 -3,-0.5 4,-3.1 1,-0.2 3,-0.4 0.913 78.7 51.9 -39.9 -58.4 7.6 0.1 27.3 311 22 C G H > S+ 0 0 12 -3,-0.3 4,-2.2 1,-0.3 -1,-0.2 0.856 109.4 48.8 -49.9 -46.0 11.2 -1.1 26.9 312 23 C E H > S+ 0 0 102 -3,-0.4 4,-1.8 2,-0.2 -1,-0.3 0.841 112.9 46.9 -68.6 -36.1 10.3 -4.8 27.2 313 24 C Y H X S+ 0 0 23 -4,-2.2 4,-2.8 -3,-0.4 5,-0.2 0.880 109.2 57.0 -70.9 -39.3 7.4 -4.5 24.7 314 25 C G H X S+ 0 0 3 -4,-3.1 4,-2.1 -5,-0.3 -2,-0.2 0.937 108.1 45.5 -48.6 -54.3 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2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.869 118.6 46.2 -66.6 -49.2 -16.0 -15.8 18.9 454 23 D V H X S+ 0 0 2 -4,-3.2 4,-2.7 2,-0.2 -3,-0.2 0.937 111.9 49.2 -71.6 -43.2 -12.7 -15.3 17.0 455 24 D G H X S+ 0 0 1 -4,-1.6 4,-2.8 -5,-0.3 5,-0.3 0.886 112.5 49.0 -61.1 -42.2 -14.2 -14.7 13.5 456 25 D G H X S+ 0 0 7 -4,-1.4 4,-2.4 -5,-0.4 -1,-0.2 0.899 112.9 47.1 -65.7 -41.9 -16.7 -12.1 14.9 457 26 D E H X S+ 0 0 43 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.880 114.5 47.3 -69.1 -36.3 -13.9 -10.3 16.8 458 27 D A H X S+ 0 0 3 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.954 116.9 41.0 -69.0 -48.4 -11.7 -10.3 13.7 459 28 D L H X S+ 0 0 4 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.914 115.6 52.6 -66.8 -39.9 -14.3 -9.1 11.3 460 29 D G H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.910 110.8 45.9 -61.0 -47.9 -15.6 -6.6 13.9 461 30 D R H X S+ 0 0 5 -4,-2.2 4,-3.3 1,-0.2 5,-0.4 0.881 108.1 57.9 -65.7 -38.5 -12.1 -5.1 14.5 462 31 D L H X S+ 0 0 10 -4,-2.3 4,-2.5 1,-0.2 7,-0.3 0.942 108.9 45.5 -49.7 -51.2 -11.5 -4.9 10.7 463 32 D L H < S+ 0 0 0 -4,-2.0 7,-0.3 2,-0.2 -1,-0.2 0.783 118.4 42.6 -70.3 -29.7 -14.6 -2.7 10.3 464 33 D V H < S+ 0 0 22 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.925 120.0 39.0 -77.0 -52.0 -13.7 -0.5 13.3 465 34 D V H < S+ 0 0 10 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.868 127.1 34.4 -73.1 -37.8 -9.9 -0.1 12.6 466 35 D Y S >< S- 0 0 24 -4,-2.5 3,-2.4 -5,-0.4 4,-0.3 -0.706 75.0-177.7-117.4 77.6 -10.3 0.2 8.8 467 36 D P G > S+ 0 0 30 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.654 71.1 69.9 -66.2 -16.8 -13.6 2.1 8.4 468 37 D W G > S+ 0 0 47 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.776 86.7 71.3 -63.2 -26.2 -13.8 2.1 4.6 469 38 D T G X> S+ 0 0 4 -3,-2.4 3,-1.7 -7,-0.3 4,-0.5 0.796 80.0 74.6 -61.7 -24.4 -14.3 -1.6 4.8 470 39 D Q G X4 S+ 0 0 17 -3,-1.3 3,-0.9 -7,-0.3 -1,-0.2 0.763 81.2 72.0 -57.1 -26.2 -17.9 -0.9 6.2 471 40 D R G X4 S+ 0 0 64 -3,-1.5 3,-0.8 -4,-0.3 -1,-0.3 0.822 93.2 53.0 -58.0 -33.2 -18.9 0.1 2.7 472 41 D F G <4 S+ 0 0 53 -3,-1.7 -1,-0.2 -4,-0.3 3,-0.2 0.686 113.2 44.9 -77.2 -17.8 -18.8 -3.6 1.6 473 42 D F G X< S+ 0 0 37 -3,-0.9 3,-2.6 -4,-0.5 -1,-0.2 0.108 70.0 126.1-116.5 20.8 -21.1 -4.5 4.5 474 43 D E G X + 0 0 101 -3,-0.8 3,-1.5 1,-0.3 -1,-0.1 0.791 67.0 65.9 -47.7 -36.7 -23.7 -1.8 4.3 475 44 D S G 3 S+ 0 0 103 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.692 85.7 73.4 -65.8 -14.0 -26.6 -4.3 4.1 476 45 D F G < S- 0 0 37 -3,-2.6 2,-0.3 1,-0.3 14,-0.3 0.577 106.0-118.4 -75.3 -10.2 -25.7 -5.4 7.7 477 46 D G < + 0 0 44 -3,-1.5 2,-0.4 -4,-0.2 -1,-0.3 -0.784 66.1 4.9 109.9-150.7 -27.2 -2.2 9.1 478 47 D D + 0 0 97 -2,-0.3 3,-0.1 1,-0.1 10,-0.1 -0.579 47.6 164.6 -83.4 126.8 -25.6 0.6 11.1 479 48 D L + 0 0 10 -2,-0.4 -1,-0.1 1,-0.1 6,-0.1 -0.054 34.9 125.8-125.7 26.7 -21.9 0.3 11.6 480 49 D S S S+ 0 0 87 4,-0.1 2,-0.3 5,-0.0 3,-0.1 0.229 71.2 30.6 -79.5 8.5 -21.5 3.9 12.8 481 50 D S S > S- 0 0 47 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.954 78.5-113.5-163.4 154.0 -19.7 3.0 16.0 482 51 D A H > S+ 0 0 25 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.917 117.8 50.0 -47.3 -50.0 -17.5 0.4 17.6 483 52 D N H > S+ 0 0 131 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.891 111.1 48.0 -66.7 -38.5 -20.3 -0.7 20.0 484 53 D A H > S+ 0 0 14 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.911 112.9 49.6 -63.4 -41.9 -22.8 -1.1 17.1 485 54 D V H >< S+ 0 0 1 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.961 112.3 45.6 -63.0 -50.1 -20.3 -3.1 15.1 486 55 D M H 3< S+ 0 0 44 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.658 114.6 47.1 -77.8 -14.1 -19.3 -5.5 17.8 487 56 D N H 3< S+ 0 0 115 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.539 84.5 114.7 -96.8 0.9 -22.9 -6.1 18.9 488 57 D N S+ 0 0 99 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.817 93.5 55.5 -65.3 -32.0 -25.4 -10.3 14.8 490 59 D K H > S+ 0 0 122 -14,-0.3 4,-2.3 2,-0.2 5,-0.2 0.866 106.4 52.8 -66.6 -35.9 -24.8 -10.3 11.0 491 60 D V H > S+ 0 0 2 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.943 111.3 45.6 -61.9 -47.7 -21.1 -9.3 11.7 492 61 D K H X S+ 0 0 107 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.912 114.8 47.6 -60.7 -42.3 -20.7 -12.3 14.1 493 62 D A H X S+ 0 0 53 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.878 113.8 47.3 -70.0 -36.5 -22.4 -14.7 11.7 494 63 D H H X S+ 0 0 53 -4,-2.3 4,-2.5 2,-0.2 3,-0.2 0.908 107.4 55.9 -69.7 -40.3 -20.3 -13.5 8.9 495 64 D G H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.858 105.4 54.6 -56.7 -37.1 -17.0 -13.7 10.9 496 65 D K H X S+ 0 0 86 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.3 0.899 107.5 47.6 -64.0 -43.4 -17.9 -17.3 11.5 497 66 D K H X S+ 0 0 145 -4,-1.3 4,-2.2 -3,-0.2 -2,-0.2 0.912 112.1 50.7 -65.3 -44.4 -18.2 -18.0 7.8 498 67 D V H X S+ 0 0 33 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.924 112.8 45.2 -56.0 -51.2 -14.8 -16.2 7.1 499 68 D L H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.835 109.5 55.6 -65.1 -37.2 -13.0 -18.3 9.8 500 69 D A H X S+ 0 0 52 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.910 108.5 48.7 -61.3 -42.0 -14.6 -21.5 8.6 501 70 D A H X S+ 0 0 26 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.901 109.9 51.8 -62.2 -41.1 -13.2 -20.8 5.2 502 71 D F H X S+ 0 0 22 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.895 107.2 53.2 -58.2 -46.0 -9.7 -20.1 6.8 503 72 D S H X S+ 0 0 43 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.875 107.8 51.3 -56.8 -42.3 -9.9 -23.5 8.6 504 73 D E H >< S+ 0 0 110 -4,-1.8 3,-0.7 1,-0.2 4,-0.4 0.902 106.4 53.2 -62.3 -43.3 -10.5 -25.1 5.3 505 74 D G H >< S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.871 101.4 64.0 -56.3 -41.4 -7.5 -23.3 3.8 506 75 D L H 3< S+ 0 0 17 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.758 104.7 42.0 -55.2 -36.9 -5.4 -24.7 6.7 507 76 D S T << S+ 0 0 103 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.448 118.4 48.6 -92.2 7.4 -5.9 -28.4 5.7 508 77 D H X + 0 0 73 -3,-1.1 3,-2.4 -4,-0.4 7,-0.2 -0.068 66.5 138.3-127.6 34.0 -5.3 -27.5 2.0 509 78 D L G > S+ 0 0 16 -3,-0.5 3,-0.6 1,-0.3 -1,-0.1 0.716 72.3 52.4 -57.4 -26.2 -2.2 -25.4 2.2 510 79 D D G 3 S+ 0 0 153 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.485 117.3 38.4 -90.9 -1.6 -0.6 -27.0 -0.8 511 80 D N G <> + 0 0 84 -3,-2.4 4,-2.3 -6,-0.2 -1,-0.2 -0.151 68.6 136.9-133.6 43.2 -3.7 -26.3 -3.0 512 81 D L H <> S+ 0 0 10 -3,-0.6 4,-3.2 1,-0.2 5,-0.1 0.918 72.5 54.6 -55.6 -43.8 -4.9 -22.8 -1.8 513 82 D K H 4 S+ 0 0 86 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.890 112.2 40.9 -59.8 -45.9 -5.5 -21.6 -5.3 514 83 D G H >4 S+ 0 0 43 2,-0.2 3,-0.9 1,-0.2 4,-0.3 0.914 116.1 50.3 -70.6 -42.0 -7.9 -24.4 -6.3 515 84 D T H 3< S+ 0 0 43 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.937 119.1 37.1 -58.9 -48.3 -9.6 -24.5 -3.0 516 85 D F T 3X S+ 0 0 7 -4,-3.2 4,-3.0 -5,-0.2 5,-0.2 0.233 84.0 111.5 -90.0 12.4 -10.2 -20.6 -3.1 517 86 D A H <> S+ 0 0 27 -3,-0.9 4,-2.2 -4,-0.3 -1,-0.2 0.905 83.0 37.2 -59.8 -50.4 -11.0 -20.3 -6.9 518 87 D K H > S+ 0 0 155 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.2 0.820 116.1 54.2 -72.3 -30.4 -14.7 -19.4 -6.7 519 88 D L H > S+ 0 0 57 2,-0.2 4,-2.4 -4,-0.2 5,-0.2 0.921 108.5 49.0 -71.0 -41.7 -14.2 -17.3 -3.6 520 89 D S H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.4 0.923 109.3 53.0 -60.2 -48.0 -11.5 -15.3 -5.3 521 90 D E H X>S+ 0 0 69 -4,-2.2 4,-2.2 -5,-0.2 5,-1.0 0.913 110.7 48.2 -49.9 -47.1 -13.8 -14.8 -8.4 522 91 D L H X>S+ 0 0 71 -4,-2.0 5,-1.5 3,-0.2 4,-0.8 0.934 117.1 39.6 -63.7 -49.7 -16.6 -13.5 -6.0 523 92 D H H <5S+ 0 0 48 -4,-2.4 6,-2.6 3,-0.2 -2,-0.2 0.869 126.8 34.7 -67.5 -41.0 -14.4 -11.0 -4.1 524 93 D C H <5S+ 0 0 3 -4,-3.1 4,-0.5 -5,-0.2 -3,-0.2 0.944 128.8 29.5 -79.6 -52.4 -12.4 -9.9 -7.2 525 94 D D H <5S+ 0 0 101 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.1 0.894 132.4 25.5 -80.0 -40.4 -15.1 -10.0 -10.0 526 95 D K T < - 0 0 45 -2,-0.6 3,-1.6 1,-0.1 4,-0.4 -0.376 18.8-125.0 -62.7 136.8 -8.9 -4.3 -3.5 531 100 D P T >> S+ 0 0 47 0, 0.0 4,-1.2 0, 0.0 3,-1.0 0.725 105.4 70.8 -56.1 -29.0 -6.3 -7.0 -2.5 532 101 D E H 3> S+ 0 0 72 1,-0.3 4,-1.6 2,-0.2 3,-0.2 0.866 92.1 60.2 -61.4 -29.6 -4.6 -4.8 0.1 533 102 D N H <> S+ 0 0 9 -3,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.790 97.3 58.6 -67.8 -26.9 -7.8 -5.4 2.2 534 103 D F H <> S+ 0 0 27 -3,-1.0 4,-1.8 -4,-0.4 -1,-0.2 0.899 106.0 49.4 -66.5 -39.0 -7.2 -9.1 2.2 535 104 D R H X S+ 0 0 80 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.890 109.0 52.2 -64.9 -40.0 -3.8 -8.4 3.8 536 105 D L H X S+ 0 0 10 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.897 108.4 49.6 -64.1 -42.6 -5.4 -6.2 6.5 537 106 D L H X S+ 0 0 33 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.893 110.2 52.1 -65.7 -39.0 -7.9 -8.8 7.5 538 107 D G H X S+ 0 0 4 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.918 111.6 46.4 -58.8 -45.1 -5.1 -11.4 7.8 539 108 D N H X S+ 0 0 17 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.918 110.0 52.4 -69.4 -38.8 -3.1 -9.1 10.1 540 109 D V H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.896 107.1 53.6 -60.2 -42.6 -6.2 -8.3 12.2 541 110 D L H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.893 107.6 50.9 -60.2 -40.0 -6.7 -12.1 12.7 542 111 D V H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.912 109.5 50.9 -63.3 -35.0 -3.1 -12.3 13.9 543 112 D I H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.922 110.7 48.9 -65.1 -43.0 -3.8 -9.4 16.3 544 113 D V H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.908 108.3 52.6 -67.4 -43.5 -6.9 -11.2 17.6 545 114 D L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.922 111.8 46.9 -55.2 -46.3 -5.0 -14.5 18.1 546 115 D S H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.941 111.9 51.5 -59.9 -43.7 -2.4 -12.7 20.1 547 116 D H H < S+ 0 0 37 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.910 116.6 39.7 -59.8 -44.7 -5.2 -10.9 22.1 548 117 D H H < S+ 0 0 67 -4,-2.7 -1,-0.2 1,-0.1 -2,-0.2 0.882 122.5 35.9 -73.5 -41.1 -6.9 -14.3 22.9 549 118 D F H >< S- 0 0 40 -4,-2.5 3,-1.3 -5,-0.2 -2,-0.2 0.638 78.4-174.7 -98.6 -17.6 -3.9 -16.6 23.6 550 119 D G G >< S+ 0 0 17 -4,-2.1 3,-2.3 -5,-0.3 -1,-0.2 -0.312 70.8 6.9 61.4-134.2 -1.4 -14.3 25.4 551 120 D K G 3 S+ 0 0 189 1,-0.3 -1,-0.3 -151,-0.2 -2,-0.1 0.738 122.4 67.6 -52.0 -36.6 2.0 -15.9 26.1 552 121 D E G < S+ 0 0 80 -3,-1.3 2,-2.1 1,-0.2 -1,-0.3 0.799 84.3 74.4 -57.5 -33.2 1.1 -19.1 24.1 553 122 D F S < S- 0 0 0 -3,-2.3 -1,-0.2 -7,-0.2 -3,-0.1 -0.539 80.3-177.8 -79.7 74.7 1.1 -17.0 20.9 554 123 D T > - 0 0 47 -2,-2.1 4,-2.8 1,-0.1 5,-0.2 -0.134 44.1-101.3 -70.6 166.1 5.0 -16.8 20.9 555 124 D P H > S+ 0 0 18 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.868 125.7 52.4 -51.5 -34.5 7.1 -14.9 18.3 556 125 D Q H > S+ 0 0 105 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.864 109.0 46.8 -71.2 -39.9 7.7 -18.3 16.6 557 126 D V H > S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 111.7 53.3 -67.4 -42.3 4.0 -19.2 16.4 558 127 D Q H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.911 104.1 55.5 -54.3 -46.7 3.3 -15.8 15.1 559 128 D A H X S+ 0 0 13 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.901 108.0 47.9 -58.3 -42.2 5.9 -16.2 12.3 560 129 D A H X S+ 0 0 1 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.890 110.1 52.7 -64.9 -39.7 4.3 -19.4 11.1 561 130 D Y H X S+ 0 0 3 -4,-2.1 4,-3.6 1,-0.2 5,-0.3 0.883 102.7 58.3 -64.5 -37.6 0.8 -17.7 11.1 562 131 D Q H X S+ 0 0 10 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.880 105.3 50.4 -55.4 -40.1 2.2 -14.8 9.0 563 132 D K H X S+ 0 0 95 -4,-1.3 4,-2.0 -5,-0.2 -2,-0.2 0.951 112.8 48.1 -62.4 -48.1 3.2 -17.4 6.3 564 133 D V H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.931 111.8 45.8 -58.6 -52.4 -0.3 -18.8 6.5 565 134 D V H X S+ 0 0 9 -4,-3.6 4,-2.7 1,-0.2 -1,-0.2 0.895 112.6 51.1 -64.0 -33.4 -2.2 -15.5 6.2 566 135 D A H X S+ 0 0 49 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.911 109.5 51.9 -65.7 -40.7 -0.1 -14.3 3.4 567 136 D G H X S+ 0 0 10 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.934 112.8 44.7 -57.7 -46.1 -0.8 -17.6 1.6 568 137 D V H X S+ 0 0 6 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.926 112.5 50.6 -68.4 -41.0 -4.5 -17.1 2.1 569 138 D A H X S+ 0 0 16 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.914 110.5 50.6 -62.7 -44.0 -4.4 -13.4 1.0 570 139 D N H X S+ 0 0 44 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.898 109.2 51.3 -57.4 -44.2 -2.5 -14.4 -2.2 571 140 D A H >< S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 4,-0.3 0.905 108.7 50.2 -64.8 -44.9 -5.1 -17.1 -3.0 572 141 D L H 3< S+ 0 0 17 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.782 114.1 46.8 -59.7 -32.4 -8.0 -14.7 -2.6 573 142 D A H >X S+ 0 0 7 -4,-1.4 3,-1.8 -5,-0.2 4,-0.8 0.479 81.7 96.8 -88.1 -3.4 -6.2 -12.2 -5.0 574 143 D H G X< S+ 0 0 31 -3,-1.0 3,-1.1 -4,-0.5 -1,-0.2 0.854 73.6 64.8 -65.5 -29.5 -5.2 -14.7 -7.7 575 144 D K G 34 S+ 0 0 65 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.677 95.3 59.9 -64.8 -17.8 -8.2 -13.8 -10.0 576 145 D Y G <4 0 0 80 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.797 360.0 360.0 -70.9 -32.1 -6.7 -10.4 -10.3 577 146 D H << 0 0 98 -3,-1.1 -2,-0.2 -4,-0.8 -3,-0.1 0.764 360.0 360.0 -83.0 360.0 -3.6 -12.2 -11.8