==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE, OXYGEN TRANSPORT 09-JAN-09 3FS4 . COMPND 2 MOLECULE: HEMOGLOBIN SUBUNIT ALPHA-A; . SOURCE 2 ORGANISM_SCIENTIFIC: STRUTHIO CAMELUS; . AUTHOR S.S.SUNDARESAN,P.RAMESH,K.SIVAKUMAR,M.N.PONNUSWAMY . 574 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25028.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 79.6 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 . 15 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 336 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 2 1 3 0 1 1 0 2 0 1 2 4 1 1 5 5 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 0 143 0, 0.0 2,-0.5 0, 0.0 127,-0.0 0.000 360.0 360.0 360.0-164.1 21.5 -0.3 22.5 2 2 A L - 0 0 20 71,-0.1 2,-0.1 125,-0.1 428,-0.0 -0.859 360.0-143.2-100.3 126.9 18.9 -3.0 23.1 3 3 A S > - 0 0 55 -2,-0.5 4,-2.5 1,-0.1 3,-0.4 -0.405 31.3-102.5 -79.5 161.4 15.8 -2.0 24.9 4 4 A G H > S+ 0 0 53 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.774 127.3 54.1 -51.9 -31.1 14.0 -4.2 27.4 5 5 A T H > S+ 0 0 96 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.868 107.1 49.9 -71.1 -39.6 11.5 -4.9 24.6 6 6 A D H > S+ 0 0 17 -3,-0.4 4,-2.7 2,-0.2 3,-0.4 0.983 110.3 49.1 -60.2 -56.1 14.4 -5.9 22.3 7 7 A K H X S+ 0 0 44 -4,-2.5 4,-2.1 1,-0.3 5,-0.2 0.880 113.7 48.2 -52.2 -40.7 15.9 -8.3 24.9 8 8 A T H X S+ 0 0 99 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.3 0.859 111.0 50.3 -64.8 -39.9 12.4 -9.8 25.3 9 9 A N H X S+ 0 0 33 -4,-2.1 4,-1.9 -3,-0.4 -2,-0.2 0.904 112.8 45.9 -64.8 -47.6 11.8 -10.1 21.5 10 10 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.915 112.0 48.8 -61.8 -50.9 15.1 -11.9 21.0 11 11 A K H X S+ 0 0 88 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.856 110.1 55.2 -59.5 -36.5 14.8 -14.4 23.9 12 12 A G H X S+ 0 0 36 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.950 111.3 40.5 -63.9 -54.1 11.3 -15.2 22.7 13 13 A I H X S+ 0 0 7 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.806 113.0 56.2 -66.4 -31.9 12.3 -16.1 19.2 14 14 A F H X S+ 0 0 12 -4,-2.4 4,-0.7 1,-0.2 3,-0.5 0.833 104.3 52.8 -70.4 -31.4 15.4 -18.0 20.5 15 15 A S H < S+ 0 0 93 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.839 104.0 58.8 -62.1 -34.9 13.1 -20.1 22.7 16 16 A K H < S+ 0 0 123 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.662 113.0 38.5 -72.2 -16.9 11.2 -20.8 19.5 17 17 A I H < S+ 0 0 7 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.2 0.991 84.1 130.7 -56.2 -67.1 14.4 -22.3 18.0 18 18 A S >< + 0 0 64 -4,-0.7 3,-0.5 1,-0.2 -1,-0.2 -0.541 61.9 32.0-112.2 -24.2 15.4 -23.7 20.5 19 19 A S T 3 S+ 0 0 107 1,-0.2 -1,-0.2 -4,-0.2 3,-0.1 -0.049 106.2 82.4 -88.5 26.8 16.4 -27.3 20.2 20 20 A H T 3> + 0 0 65 1,-0.1 4,-2.7 2,-0.1 5,-0.3 0.171 47.0 115.4-124.6 20.4 17.5 -26.4 16.7 21 21 A A H <> S+ 0 0 6 -3,-0.5 4,-2.8 2,-0.2 5,-0.4 0.927 77.5 50.2 -51.7 -56.6 20.9 -24.9 17.2 22 22 A E H > S+ 0 0 99 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.946 117.4 38.0 -51.6 -57.2 22.8 -27.5 15.3 23 23 A E H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.856 118.4 47.9 -69.5 -34.7 20.5 -27.4 12.2 24 24 A Y H X S+ 0 0 12 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.881 112.9 47.8 -73.7 -38.3 20.0 -23.6 12.1 25 25 A G H X S+ 0 0 2 -4,-2.8 4,-1.8 -5,-0.3 -2,-0.2 0.918 114.6 47.3 -63.8 -43.8 23.7 -22.8 12.6 26 26 A A H X S+ 0 0 11 -4,-2.0 4,-2.4 -5,-0.4 -2,-0.2 0.911 113.0 47.9 -65.4 -46.4 24.6 -25.3 9.8 27 27 A E H X S+ 0 0 34 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.860 107.8 56.6 -61.1 -39.5 21.9 -23.9 7.5 28 28 A T H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.910 111.4 42.5 -56.4 -43.7 23.1 -20.4 8.2 29 29 A L H X S+ 0 0 1 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.923 111.9 53.0 -76.0 -42.8 26.6 -21.2 7.1 30 30 A E H X S+ 0 0 34 -4,-2.4 4,-1.9 1,-0.2 5,-0.2 0.919 111.5 46.9 -56.2 -47.1 25.5 -23.3 4.0 31 31 A R H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.886 111.7 51.9 -58.8 -44.8 23.4 -20.4 2.9 32 32 A M H X S+ 0 0 8 -4,-2.0 4,-2.3 -5,-0.2 7,-0.3 0.919 110.2 48.1 -59.1 -44.9 26.4 -18.0 3.6 33 33 A F H < S+ 0 0 11 -4,-2.9 7,-0.2 1,-0.2 -2,-0.2 0.858 119.1 37.4 -65.9 -39.9 28.8 -20.2 1.5 34 34 A I H < S+ 0 0 71 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.862 122.6 43.2 -80.0 -37.0 26.5 -20.5 -1.6 35 35 A T H < S+ 0 0 5 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.835 131.5 22.9 -76.2 -34.2 25.0 -16.9 -1.4 36 36 A Y S >< S+ 0 0 12 -4,-2.3 3,-2.2 -5,-0.3 -1,-0.3 -0.713 71.1 178.1-134.0 74.0 28.4 -15.2 -0.7 37 37 A P G > S+ 0 0 67 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.780 74.0 74.6 -57.9 -25.4 31.1 -17.7 -2.0 38 38 A Q G > S+ 0 0 66 1,-0.3 3,-1.2 2,-0.2 4,-0.1 0.769 84.3 66.4 -57.4 -24.9 33.8 -15.2 -1.1 39 39 A T G X S+ 0 0 2 -3,-2.2 3,-1.2 -7,-0.3 -1,-0.3 0.668 81.0 77.9 -73.2 -14.9 33.2 -16.2 2.6 40 40 A K G X S+ 0 0 99 -3,-2.1 3,-1.6 -4,-0.2 -1,-0.2 0.698 74.7 80.0 -62.1 -16.7 34.6 -19.7 1.8 41 41 A T G < S+ 0 0 55 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.725 85.2 58.3 -67.0 -24.7 38.1 -18.3 1.9 42 42 A Y G < S+ 0 0 29 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.490 105.3 51.3 -82.6 -8.8 38.2 -18.4 5.7 43 43 A F X + 0 0 30 -3,-1.6 3,-1.7 -4,-0.1 -1,-0.2 -0.285 57.6 141.5-124.0 46.5 37.5 -22.2 5.7 44 44 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.827 78.0 54.2 -59.2 -29.5 40.2 -23.7 3.3 45 45 A H T 3 S+ 0 0 126 -3,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.526 93.6 87.9 -79.2 -16.4 40.5 -26.6 5.7 46 46 A F S < S- 0 0 33 -3,-1.7 2,-0.7 -6,-0.2 -3,-0.1 -0.632 82.2-120.7 -84.1 148.4 36.8 -27.5 5.7 47 47 A D - 0 0 74 -2,-0.2 8,-0.4 1,-0.1 5,-0.1 -0.813 31.7-165.4 -73.7 115.2 35.1 -29.8 3.4 48 48 A L + 0 0 45 -2,-0.7 -1,-0.1 -4,-0.1 3,-0.1 0.506 42.5 122.8 -97.9 -0.2 32.7 -27.2 2.1 49 49 A H S > S- 0 0 145 1,-0.1 3,-2.1 2,-0.1 6,-0.2 -0.277 79.7 -84.4 -52.9 137.5 30.2 -29.6 0.4 50 50 A H T 3 S+ 0 0 164 1,-0.3 -1,-0.1 -20,-0.1 -2,-0.1 -0.183 114.4 14.3 -47.6 130.3 26.6 -29.2 1.7 51 51 A G T 3 S+ 0 0 20 1,-0.2 -1,-0.3 -25,-0.1 -2,-0.1 0.501 84.9 161.0 81.1 7.6 26.1 -31.3 4.8 52 52 A S <> - 0 0 10 -3,-2.1 4,-1.7 1,-0.1 -1,-0.2 -0.203 49.7-120.2 -57.8 152.2 29.7 -32.0 5.5 53 53 A A H > S+ 0 0 77 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.901 111.4 56.3 -65.8 -43.1 30.5 -33.0 9.0 54 54 A Q H > S+ 0 0 78 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.912 107.5 48.2 -54.5 -47.5 32.8 -30.0 9.7 55 55 A I H > S+ 0 0 1 -8,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.879 112.3 49.9 -60.6 -36.9 30.0 -27.5 8.7 56 56 A K H X S+ 0 0 123 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.933 113.9 45.0 -66.3 -47.4 27.5 -29.4 11.0 57 57 A A H X S+ 0 0 50 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.869 116.6 45.9 -61.3 -41.3 30.1 -29.3 13.8 58 58 A H H X S+ 0 0 51 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.915 108.5 54.3 -73.2 -43.4 30.9 -25.6 13.2 59 59 A G H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.828 104.8 57.2 -57.4 -33.3 27.2 -24.5 12.8 60 60 A K H X S+ 0 0 99 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.936 108.1 45.4 -63.6 -44.5 26.6 -26.1 16.2 61 61 A K H X S+ 0 0 142 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.926 111.3 52.3 -65.9 -45.1 29.3 -23.9 17.8 62 62 A V H X S+ 0 0 32 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.863 112.6 45.7 -56.3 -39.1 28.0 -20.7 16.1 63 63 A A H X S+ 0 0 6 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.916 111.2 51.3 -74.5 -43.4 24.4 -21.3 17.3 64 64 A N H X S+ 0 0 67 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.856 107.1 53.8 -61.7 -39.2 25.5 -22.1 20.8 65 65 A A H X S+ 0 0 25 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.899 110.5 47.9 -57.0 -44.4 27.6 -18.9 20.9 66 66 A L H X S+ 0 0 12 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.906 112.3 48.4 -66.2 -41.5 24.4 -17.0 19.9 67 67 A I H X S+ 0 0 41 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.925 109.1 52.7 -62.8 -44.8 22.4 -18.8 22.5 68 68 A E H X S+ 0 0 88 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.859 110.8 49.1 -56.7 -35.3 25.0 -18.0 25.2 69 69 A A H < S+ 0 0 0 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.855 108.2 51.4 -73.2 -39.1 24.7 -14.3 24.1 70 70 A V H >< S+ 0 0 6 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.915 110.6 52.1 -61.9 -40.7 20.9 -14.4 24.3 71 71 A N H 3< S+ 0 0 98 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.778 119.8 31.9 -59.4 -36.5 21.5 -15.9 27.9 72 72 A H T >< S+ 0 0 91 -4,-1.2 3,-2.8 -5,-0.2 -1,-0.2 -0.154 76.3 145.6-116.6 38.2 23.8 -13.0 28.9 73 73 A I T < + 0 0 7 -3,-1.1 3,-0.4 1,-0.3 -71,-0.1 0.582 64.3 65.3 -55.0 -13.2 22.1 -10.3 26.8 74 74 A D T 3 S+ 0 0 134 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.693 119.0 21.1 -86.4 -19.1 22.9 -7.7 29.4 75 75 A D <> + 0 0 94 -3,-2.8 4,-1.2 -6,-0.2 -1,-0.3 -0.581 68.6 162.7-144.8 78.8 26.6 -8.0 28.8 76 76 A I H > S+ 0 0 13 -3,-0.4 4,-1.6 2,-0.2 3,-0.3 0.879 79.9 54.6 -64.5 -40.1 27.1 -9.6 25.4 77 77 A S H >> S+ 0 0 68 1,-0.2 4,-1.3 2,-0.2 3,-0.9 0.967 103.2 55.8 -53.3 -59.4 30.8 -8.4 25.4 78 78 A G H 34 S+ 0 0 50 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.778 114.6 39.6 -41.6 -40.3 31.4 -10.2 28.7 79 79 A A H 3< S+ 0 0 21 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.668 125.8 29.5 -90.3 -23.9 30.2 -13.5 27.2 80 80 A L H X< S+ 0 0 6 -4,-1.6 3,-0.8 -3,-0.9 4,-0.5 0.159 81.6 110.7-124.0 17.7 31.7 -13.5 23.6 81 81 A S T >X S+ 0 0 69 -4,-1.3 4,-0.8 1,-0.2 3,-0.8 0.773 71.8 62.7 -67.0 -29.8 34.8 -11.4 24.1 82 82 A K H 3> S+ 0 0 155 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.782 95.9 62.2 -64.5 -29.4 37.1 -14.5 23.6 83 83 A L H <> S+ 0 0 29 -3,-0.8 4,-2.9 1,-0.2 -1,-0.2 0.750 91.4 64.1 -69.3 -24.6 35.7 -14.7 20.1 84 84 A S H <>>S+ 0 0 3 -3,-0.8 4,-3.3 -4,-0.5 5,-1.2 0.931 99.1 53.5 -69.4 -45.1 37.1 -11.3 19.0 85 85 A D H <>S+ 0 0 66 -4,-0.8 5,-3.0 3,-0.2 4,-0.3 0.916 114.1 43.2 -44.6 -53.7 40.7 -12.4 19.4 86 86 A L H <>S+ 0 0 78 -4,-1.1 5,-3.8 3,-0.2 6,-0.3 0.979 122.4 35.9 -61.1 -56.8 39.9 -15.3 17.2 87 87 A H H <5S+ 0 0 36 -4,-2.9 6,-2.9 3,-0.2 -2,-0.2 0.901 132.4 22.6 -67.6 -43.5 37.9 -13.4 14.5 88 88 A A T <5S+ 0 0 0 -4,-3.3 -3,-0.2 48,-0.5 -2,-0.1 0.909 131.5 33.6 -97.2 -49.6 39.7 -10.1 14.4 89 89 A Q T - 0 0 7 -2,-0.2 3,-2.4 1,-0.2 4,-0.4 -0.505 21.6-127.9 -62.6 128.4 36.8 -8.6 7.1 95 95 A P T >> S+ 0 0 30 0, 0.0 3,-1.2 0, 0.0 4,-0.7 0.783 104.2 70.5 -51.1 -28.1 34.1 -6.7 9.0 96 96 A V H 3> S+ 0 0 18 1,-0.2 4,-0.7 2,-0.2 3,-0.3 0.818 87.9 65.9 -60.4 -25.7 31.8 -6.8 6.0 97 97 A N H <> S+ 0 0 18 -3,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.759 86.5 66.8 -69.9 -28.4 31.4 -10.6 6.5 98 98 A F H <> S+ 0 0 44 -3,-1.2 4,-2.4 -4,-0.4 3,-0.2 0.934 99.2 51.5 -59.4 -44.0 29.5 -10.3 9.8 99 99 A K H X S+ 0 0 104 -4,-0.7 4,-2.7 -3,-0.3 -1,-0.2 0.829 106.9 56.2 -56.9 -35.8 26.5 -8.6 8.0 100 100 A L H X S+ 0 0 10 -4,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.903 110.0 42.0 -65.6 -45.3 26.4 -11.5 5.5 101 101 A L H X S+ 0 0 44 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.868 113.1 54.5 -68.3 -45.6 26.1 -14.2 8.1 102 102 A G H X S+ 0 0 9 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.955 106.5 52.3 -53.0 -48.0 23.6 -12.1 10.0 103 103 A Q H X S+ 0 0 10 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.913 110.1 48.1 -54.1 -45.2 21.6 -11.9 6.8 104 104 A C H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.888 109.4 52.5 -67.9 -37.3 21.7 -15.7 6.5 105 105 A F H X S+ 0 0 5 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.934 109.0 49.9 -61.3 -45.0 20.7 -16.3 10.1 106 106 A L H X S+ 0 0 6 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.910 111.0 49.8 -60.0 -46.3 17.7 -14.0 9.7 107 107 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.936 108.3 52.0 -55.5 -52.0 16.7 -15.9 6.5 108 108 A V H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.891 112.6 47.3 -54.1 -36.8 17.0 -19.3 8.3 109 109 A V H X S+ 0 0 2 -4,-2.2 4,-3.5 2,-0.2 -2,-0.2 0.960 110.9 50.2 -67.0 -48.6 14.7 -17.8 11.0 110 110 A A H < S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.856 110.4 51.3 -56.8 -42.4 12.2 -16.4 8.4 111 111 A I H < S+ 0 0 5 -4,-2.6 151,-0.3 2,-0.2 -1,-0.2 0.921 122.0 29.6 -62.6 -45.7 12.1 -19.8 6.7 112 112 A H H < S+ 0 0 35 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.790 134.2 27.6 -88.1 -28.9 11.3 -21.8 9.9 113 113 A H >X + 0 0 37 -4,-3.5 4,-1.0 -5,-0.2 3,-0.7 -0.430 68.8 155.8-135.2 53.7 9.4 -19.2 12.0 114 114 A P T 34 S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 144,-0.1 0.765 75.7 46.5 -57.5 -33.9 7.7 -16.9 9.4 115 115 A S T 34 S+ 0 0 109 1,-0.2 3,-0.1 143,-0.0 -5,-0.1 0.734 111.1 52.1 -81.7 -25.0 4.9 -15.7 11.7 116 116 A A T <4 S+ 0 0 12 -3,-0.7 2,-1.3 1,-0.2 -1,-0.2 0.638 90.3 79.8 -85.3 -16.6 7.2 -15.0 14.7 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94.0 48.8 -66.7 -31.6 -1.6 3.5 3.0 201 59 B M H > S+ 0 0 93 -14,-0.3 4,-2.7 2,-0.2 5,-0.2 0.872 110.9 50.6 -74.7 -37.2 1.1 5.3 1.1 202 60 B V H > S+ 0 0 2 -15,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.964 113.7 46.4 -55.3 -54.1 3.8 3.0 2.5 203 61 B R H X S+ 0 0 114 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.921 115.7 45.4 -57.6 -47.0 1.6 0.1 1.4 204 62 B A H X S+ 0 0 49 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.868 112.0 49.4 -68.7 -40.7 1.0 1.5 -2.0 205 63 B H H X S+ 0 0 51 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.926 105.6 60.3 -62.2 -43.6 4.6 2.6 -2.7 206 64 B G H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.916 100.6 53.6 -48.1 -52.8 5.8 -0.9 -1.7 207 65 B K H X S+ 0 0 112 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.918 110.6 46.3 -50.7 -46.9 3.7 -2.5 -4.5 208 66 B K H X S+ 0 0 124 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.848 109.9 52.4 -71.9 -30.3 5.3 -0.3 -7.1 209 67 B V H X S+ 0 0 32 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.928 113.8 44.2 -65.1 -46.0 8.9 -0.9 -5.8 210 68 B L H X S+ 0 0 5 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.863 110.1 55.8 -66.2 -35.1 8.3 -4.7 -6.0 211 69 B T H X S+ 0 0 61 -4,-2.4 4,-1.1 -5,-0.3 -1,-0.2 0.886 106.7 51.4 -60.5 -36.6 6.7 -4.3 -9.4 212 70 B S H X S+ 0 0 23 -4,-1.6 4,-0.8 1,-0.2 3,-0.3 0.876 105.5 52.5 -75.2 -35.8 9.8 -2.6 -10.5 213 71 B F H >X S+ 0 0 18 -4,-1.8 4,-2.0 1,-0.2 3,-0.8 0.884 104.8 59.1 -55.7 -39.8 11.9 -5.5 -9.2 214 72 B G H 3X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.818 97.2 59.6 -58.1 -34.1 9.5 -7.6 -11.4 215 73 B D H 3X S+ 0 0 60 -4,-1.1 4,-1.2 -3,-0.3 -1,-0.2 0.758 104.9 49.4 -65.7 -29.9 10.7 -5.6 -14.4 216 74 B A H << S+ 0 0 0 -4,-0.8 3,-0.3 -3,-0.8 -2,-0.2 0.924 109.8 49.6 -71.7 -49.3 14.2 -6.8 -13.7 217 75 B V H >< S+ 0 0 17 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.912 111.2 52.1 -51.4 -45.1 13.0 -10.4 -13.4 218 76 B K H 3< S+ 0 0 154 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.763 123.6 25.6 -71.5 -30.0 11.2 -9.9 -16.7 219 77 B N T >< + 0 0 75 -4,-1.2 3,-1.1 -3,-0.3 -1,-0.3 -0.577 67.3 164.9-131.3 80.5 14.3 -8.6 -18.5 220 78 B L G X S+ 0 0 16 -3,-0.6 3,-0.5 1,-0.3 -1,-0.1 0.785 78.2 49.0 -66.8 -26.6 17.4 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316 27 C E H X S+ 0 0 33 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.874 110.3 50.6 -63.5 -40.2 36.8 23.9 7.5 317 28 C T H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.968 113.2 46.8 -59.8 -52.5 35.7 20.3 8.1 318 29 C L H X S+ 0 0 2 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.915 112.5 49.0 -54.1 -48.5 32.1 21.3 7.3 319 30 C E H X S+ 0 0 32 -4,-2.6 4,-1.8 1,-0.2 5,-0.2 0.911 110.3 51.4 -61.8 -41.4 33.1 23.2 4.2 320 31 C R H X S+ 0 0 5 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.894 108.0 52.6 -62.0 -40.0 35.1 20.3 3.0 321 32 C M H X S+ 0 0 9 -4,-2.4 4,-2.5 1,-0.2 7,-0.3 0.890 107.8 52.0 -60.9 -39.7 32.2 18.0 3.5 322 33 C F H < S+ 0 0 6 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.893 116.9 36.2 -68.9 -42.6 29.8 20.2 1.4 323 34 C I H < S+ 0 0 65 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.825 124.4 40.2 -82.0 -31.4 32.0 20.5 -1.6 324 35 C T H < S+ 0 0 6 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.869 133.9 22.7 -82.1 -38.2 33.5 17.0 -1.6 325 36 C Y S >< S+ 0 0 13 -4,-2.5 3,-2.6 -5,-0.3 4,-0.2 -0.643 72.3 174.4-130.7 63.7 30.2 15.3 -0.6 326 37 C P G > S+ 0 0 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-0.844 30.0-163.0 -77.8 114.6 23.5 29.7 3.7 337 48 C L + 0 0 46 -2,-0.7 -1,-0.1 -4,-0.1 2,-0.1 0.383 43.4 125.1 -94.2 8.2 25.8 27.1 2.4 338 49 C H S > S- 0 0 143 1,-0.1 3,-2.2 2,-0.1 6,-0.2 -0.383 76.4 -90.5 -64.0 136.1 28.3 29.6 0.9 339 50 C H T 3 S+ 0 0 156 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 -0.241 112.6 14.9 -46.6 128.6 31.9 29.2 2.0 340 51 C G T 3 S+ 0 0 25 1,-0.2 -1,-0.3 -25,-0.1 -2,-0.1 0.475 86.3 155.7 81.7 6.2 32.5 31.5 5.1 341 52 C S <> - 0 0 13 -3,-2.2 4,-2.1 1,-0.1 -1,-0.2 -0.266 53.7-119.0 -63.4 154.5 28.9 32.1 5.9 342 53 C A H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.878 112.0 54.5 -62.4 -39.8 28.1 33.0 9.5 343 54 C Q H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.912 110.6 44.6 -66.0 -41.6 25.9 29.9 9.9 344 55 C I H > S+ 0 0 0 -8,-0.4 4,-2.9 -6,-0.2 -1,-0.2 0.893 114.4 50.1 -63.7 -40.4 28.6 27.4 8.8 345 56 C K H X S+ 0 0 123 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.909 115.1 43.1 -64.5 -43.9 31.2 29.3 10.9 346 57 C A H X S+ 0 0 48 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.872 116.4 46.6 -71.7 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18.6 22.3 357 68 C E H X S+ 0 0 85 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.867 109.0 50.3 -58.2 -42.3 34.0 17.7 24.9 358 69 C A H < S+ 0 0 0 -4,-1.9 3,-0.4 2,-0.2 -1,-0.2 0.857 109.2 51.1 -63.0 -38.6 34.2 14.0 23.9 359 70 C V H >< S+ 0 0 5 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.874 107.8 54.0 -67.4 -33.9 38.0 14.2 24.1 360 71 C N H 3< S+ 0 0 101 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.643 118.0 35.3 -71.1 -19.6 37.5 15.7 27.6 361 72 C H T >< S+ 0 0 92 -4,-0.7 3,-1.8 -3,-0.4 -1,-0.3 -0.292 76.5 142.6-129.1 45.2 35.3 12.7 28.6 362 73 C I G X + 0 0 8 -3,-1.1 3,-0.6 1,-0.3 -71,-0.1 0.758 65.7 63.3 -60.0 -28.4 37.2 10.1 26.5 363 74 C D G 3 S+ 0 0 126 1,-0.3 -1,-0.3 -3,-0.1 -4,-0.1 0.708 122.7 18.2 -68.3 -19.5 36.7 7.5 29.2 364 75 C D G <> + 0 0 100 -3,-1.8 4,-1.2 -6,-0.2 3,-0.5 -0.440 66.7 163.6-154.2 67.0 33.0 7.7 28.6 365 76 C I H <> S+ 0 0 13 -3,-0.6 4,-1.3 1,-0.2 3,-0.3 0.865 78.1 59.4 -59.8 -39.7 32.1 9.3 25.2 366 77 C S H > S+ 0 0 71 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.873 103.5 51.1 -57.9 -43.2 28.5 7.9 25.3 367 78 C G H 4 S+ 0 0 51 -3,-0.5 3,-0.3 1,-0.2 -1,-0.2 0.848 113.6 45.0 -61.5 -35.6 27.8 9.8 28.6 368 79 C A H < S+ 0 0 27 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.615 121.1 35.3 -88.2 -16.7 29.0 13.1 27.2 369 80 C L H >X S+ 0 0 4 -4,-1.3 4,-1.1 -3,-0.3 3,-0.6 0.159 77.1 114.2-123.2 15.8 27.3 13.0 23.8 370 81 C S H 3X S+ 0 0 63 -4,-0.5 4,-1.0 -3,-0.3 3,-0.4 0.847 76.4 57.3 -53.5 -38.6 24.0 11.3 24.7 371 82 C K H 3> S+ 0 0 140 1,-0.2 4,-1.3 2,-0.2 3,-0.2 0.853 102.7 52.5 -59.6 -42.2 22.1 14.5 23.9 372 83 C L H <> S+ 0 0 23 -3,-0.6 4,-3.1 1,-0.2 -1,-0.2 0.716 99.3 63.3 -73.6 -28.4 23.4 14.7 20.3 373 84 C S H X>S+ 0 0 2 -4,-1.1 4,-2.7 -3,-0.4 5,-0.8 0.892 102.5 50.1 -61.2 -43.9 22.4 11.1 19.5 374 85 C D H X>S+ 0 0 65 -4,-1.0 5,-2.1 -3,-0.2 4,-0.8 0.906 114.4 44.7 -61.2 -47.0 18.7 12.1 20.1 375 86 C L H <>S+ 0 0 65 -4,-1.3 5,-3.0 3,-0.2 6,-0.2 0.952 120.0 39.2 -60.3 -52.3 19.2 15.1 17.7 376 87 C H H <5S+ 0 0 43 -4,-3.1 6,-2.4 3,-0.2 5,-0.3 0.942 129.0 26.2 -72.2 -47.2 21.1 13.2 15.0 377 88 C A H 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1,-0.2 5,-0.2 0.931 112.3 53.0 -63.6 -43.4 47.9 9.0 15.8 411 122 C H H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.943 107.8 51.0 -54.2 -50.4 45.8 8.5 12.6 412 123 C A H X S+ 0 0 8 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.916 113.8 43.3 -51.5 -49.1 44.8 5.0 13.8 413 124 C S H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.848 112.9 50.9 -69.9 -38.2 43.7 6.4 17.2 414 125 C L H X S+ 0 0 1 -4,-2.7 4,-3.2 2,-0.2 5,-0.2 0.908 109.9 50.9 -64.0 -49.1 41.9 9.4 15.8 415 126 C D H X S+ 0 0 25 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.920 110.6 49.4 -50.2 -50.2 40.0 7.2 13.4 416 127 C K H X S+ 0 0 30 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.906 112.8 48.4 -56.6 -44.9 39.0 5.0 16.3 417 128 C F H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.947 110.6 47.7 -62.7 -52.3 37.9 8.0 18.2 418 129 C L H X S+ 0 0 22 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.868 112.3 52.8 -57.5 -38.0 35.8 9.6 15.4 419 130 C C H X S+ 0 0 63 -4,-2.3 4,-3.0 -5,-0.2 -1,-0.2 0.909 108.0 48.4 -63.7 -46.7 34.2 6.2 14.9 420 131 C A H X S+ 0 0 35 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.947 112.9 48.4 -60.6 -47.4 33.2 5.8 18.5 421 132 C V H X S+ 0 0 11 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.913 111.5 49.9 -57.4 -43.8 31.7 9.3 18.4 422 133 C G H X S+ 0 0 14 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.922 109.6 53.7 -58.6 -42.8 29.9 8.4 15.2 423 134 C A H < S+ 0 0 20 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.863 108.3 48.0 -62.3 -39.3 28.7 5.3 17.0 424 135 C V H >< S+ 0 0 17 -4,-2.3 3,-2.0 1,-0.2 4,-0.4 0.960 109.3 52.4 -63.6 -50.4 27.2 7.3 19.9 425 136 C L H 3< S+ 0 0 16 -4,-2.2 -48,-0.5 1,-0.3 -1,-0.2 0.693 117.0 39.1 -65.1 -19.8 25.4 9.8 17.7 426 137 C T T >X S+ 0 0 13 -4,-1.2 3,-1.9 -3,-0.2 4,-0.6 0.180 83.0 107.6-107.6 11.9 23.7 6.9 15.7 427 138 C A G X4 + 0 0 22 -3,-2.0 3,-1.4 1,-0.3 -2,-0.1 0.838 66.6 69.5 -61.8 -32.7 23.1 4.7 18.8 428 139 C K G 34 S+ 0 0 103 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.618 97.0 54.3 -60.2 -13.4 19.4 5.5 18.7 429 140 C Y G <4 0 0 14 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.720 360.0 360.0 -83.7 -28.6 19.3 3.4 15.5 430 141 C R << 0 0 126 -3,-1.4 -1,-0.1 -4,-0.6 -253,-0.1 -0.494 360.0 360.0 -76.7 360.0 20.9 0.4 17.3 431 !* 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 1 D V 0 0 75 0, 0.0 2,-0.3 0, 0.0 -144,-0.0 0.000 360.0 360.0 360.0 133.5 31.5 10.3 -15.0 433 2 D Q - 0 0 164 0, 0.0 2,-0.5 0, 0.0 77,-0.0 -0.753 360.0-140.6-102.4 159.2 32.2 13.6 -16.7 434 3 D W - 0 0 14 -2,-0.3 2,-0.1 4,-0.0 76,-0.0 -0.977 8.1-142.9-126.6 126.5 35.3 15.7 -16.0 435 4 D S > - 0 0 37 -2,-0.5 4,-2.2 1,-0.1 5,-0.1 -0.389 26.2-115.9 -77.2 163.5 35.3 19.5 -15.8 436 5 D A H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.868 119.2 53.2 -57.1 -42.1 38.2 21.6 -17.0 437 6 D E H > S+ 0 0 125 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.923 109.9 45.8 -64.8 -45.7 38.7 22.6 -13.4 438 7 D E H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.943 110.7 52.7 -60.8 -48.7 38.9 19.1 -12.1 439 8 D K H X S+ 0 0 85 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.893 112.3 47.3 -57.5 -41.5 41.3 18.0 -14.9 440 9 D Q H X S+ 0 0 120 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.855 110.6 49.7 -61.5 -46.3 43.5 20.9 -13.9 441 10 D L H X S+ 0 0 55 -4,-2.3 4,-1.7 2,-0.2 5,-0.2 0.913 114.6 45.7 -65.6 -40.3 43.4 20.2 -10.1 442 11 D I H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.966 117.2 41.1 -66.3 -55.4 44.3 16.5 -10.7 443 12 D S H X S+ 0 0 66 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.889 113.6 53.5 -65.6 -36.1 47.1 17.0 -13.2 444 13 D G H < S+ 0 0 30 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.925 115.8 39.2 -62.1 -47.5 48.6 20.0 -11.3 445 14 D L H >X S+ 0 0 7 -4,-1.7 3,-1.4 -5,-0.2 4,-0.6 0.886 109.0 60.7 -69.4 -44.5 48.9 18.1 -8.1 446 15 D W H >< S+ 0 0 45 -4,-2.7 3,-1.5 1,-0.3 -2,-0.2 0.885 96.6 59.5 -51.9 -47.1 49.9 14.7 -9.6 447 16 D G T 3< S+ 0 0 68 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.750 109.6 46.5 -55.5 -26.0 53.1 16.2 -11.1 448 17 D K T <4 S+ 0 0 121 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.523 86.7 113.3 -93.1 -8.1 54.1 17.1 -7.5 449 18 D V << - 0 0 15 -3,-1.5 2,-1.1 -4,-0.6 3,-0.1 -0.469 64.6-137.6 -69.3 129.8 53.2 13.7 -5.9 450 19 D N >> - 0 0 76 -2,-0.2 4,-2.9 1,-0.2 5,-0.6 -0.789 22.5-168.7 -83.9 98.3 56.1 11.7 -4.4 451 20 D V H >5S+ 0 0 36 -2,-1.1 4,-2.0 1,-0.2 5,-0.3 0.922 79.7 46.7 -65.4 -45.5 54.9 8.3 -5.8 452 21 D A H >5S+ 0 0 38 3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.944 121.1 37.0 -59.7 -51.4 57.3 6.1 -3.8 453 22 D D H >5S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.935 121.0 41.5 -73.2 -50.3 56.7 7.9 -0.5 454 23 D C H X5S+ 0 0 1 -4,-2.9 4,-2.4 2,-0.2 5,-0.3 0.902 116.7 53.1 -59.9 -42.7 53.0 8.7 -0.7 455 24 D G H XS+ 0 0 13 -4,-2.7 4,-3.0 1,-0.2 5,-0.6 0.898 107.6 55.7 -56.9 -37.1 48.3 3.4 6.9 462 31 D L H X5S+ 0 0 11 -4,-1.9 4,-2.1 1,-0.2 7,-0.3 0.953 110.6 44.3 -58.5 -48.4 45.8 1.0 5.3 463 32 D L H <5S+ 0 0 0 -4,-1.8 7,-0.2 2,-0.2 -1,-0.2 0.779 119.6 42.1 -65.8 -32.8 47.4 -2.0 7.1 464 33 D I H <5S+ 0 0 17 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.911 120.1 37.9 -84.4 -50.5 47.6 -0.1 10.4 465 34 D V H <5S+ 0 0 2 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.879 131.5 30.8 -70.2 -36.8 44.3 1.7 10.6 466 35 D Y S >< S+ 0 0 17 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.644 70.3 73.8 -64.5 -15.0 44.4 -4.4 10.2 468 37 D W G > S+ 0 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3,-0.1 -0.691 49.4 142.8 -92.2 109.4 56.3 -9.1 9.1 479 48 D L + 0 0 14 -2,-0.7 -1,-0.1 1,-0.1 6,-0.1 -0.143 33.7 123.9-125.8 27.6 53.2 -6.8 9.5 480 49 D S S S+ 0 0 97 2,-0.0 -1,-0.1 4,-0.0 3,-0.1 0.597 76.0 11.0 -77.7 -13.7 53.1 -7.5 13.3 481 50 D S S > S- 0 0 45 1,-0.1 4,-3.1 -3,-0.1 5,-0.2 -0.965 80.7-102.2-153.3 164.5 53.3 -3.8 14.4 482 51 D P H > S+ 0 0 40 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.915 122.2 50.6 -54.7 -46.0 53.1 -0.3 12.8 483 52 D T H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.938 112.0 46.4 -54.2 -54.2 56.9 0.0 12.9 484 53 D A H > S+ 0 0 22 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.948 113.0 50.6 -57.9 -46.8 57.4 -3.3 11.2 485 54 D I H < S+ 0 0 2 -4,-3.1 3,-0.3 1,-0.2 -2,-0.2 0.904 113.0 45.3 -57.4 -47.0 54.7 -2.3 8.6 486 55 D L H < S+ 0 0 55 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.765 116.6 46.5 -65.9 -28.7 56.4 1.0 8.0 487 56 D G H < S+ 0 0 55 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.606 84.1 112.8 -86.5 -12.8 59.8 -0.8 7.8 488 57 D N X - 0 0 13 -4,-1.4 4,-2.1 -3,-0.3 5,-0.1 -0.429 53.6-159.0 -68.4 119.2 58.6 -3.6 5.5 489 58 D P H > S+ 0 0 98 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.788 91.9 53.5 -68.9 -27.1 60.3 -3.2 2.1 490 59 D M H > S+ 0 0 92 -14,-0.3 4,-2.9 2,-0.2 5,-0.3 0.893 109.1 48.7 -76.0 -38.2 57.6 -5.3 0.3 491 60 D V H > S+ 0 0 0 -15,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.936 113.3 49.1 -56.3 -48.8 54.9 -3.0 1.8 492 61 D R H X S+ 0 0 100 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.921 114.8 43.6 -58.9 -48.1 57.0 0.0 0.6 493 62 D A H X S+ 0 0 55 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.861 114.9 47.0 -70.3 -41.9 57.5 -1.5 -2.9 494 63 D H H X S+ 0 0 50 -4,-2.9 4,-2.7 2,-0.2 3,-0.4 0.942 107.3 60.0 -61.6 -44.5 53.9 -2.6 -3.4 495 64 D G H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.877 104.6 49.6 -45.5 -49.9 52.8 0.9 -2.1 496 65 D K H X S+ 0 0 112 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.827 109.6 49.6 -57.9 -43.7 54.7 2.5 -5.0 497 66 D K H X S+ 0 0 140 -4,-1.3 4,-2.0 -3,-0.4 -2,-0.2 0.918 107.9 54.6 -64.1 -43.2 53.1 0.3 -7.6 498 67 D V H X S+ 0 0 34 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.952 112.5 43.0 -56.3 -46.5 49.6 1.0 -6.2 499 68 D L H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.886 108.7 56.6 -71.5 -34.1 50.2 4.8 -6.6 500 69 D T H X S+ 0 0 66 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.896 106.9 54.4 -56.1 -36.5 51.8 4.4 -10.1 501 70 D S H >X S+ 0 0 23 -4,-2.0 4,-1.2 2,-0.2 3,-1.0 0.925 103.6 50.8 -66.4 -49.3 48.5 2.7 -10.9 502 71 D F H 3X S+ 0 0 18 -4,-1.9 4,-1.8 1,-0.2 3,-0.3 0.862 106.8 58.0 -52.8 -36.5 46.4 5.7 -9.7 503 72 D G H 3X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.754 96.0 60.7 -66.1 -25.9 48.7 7.7 -12.0 504 73 D D H < S+ 0 0 22 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.901 110.6 52.1 -46.4 -50.1 45.4 10.5 -14.0 507 76 D K H 3< S+ 0 0 166 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.816 125.5 23.8 -68.7 -28.2 47.2 10.0 -17.3 508 77 D N T >< S+ 0 0 84 -4,-1.3 3,-1.0 -3,-0.1 -1,-0.3 -0.564 72.2 168.2-137.1 72.4 44.0 8.7 -19.1 509 78 D L G X S+ 0 0 19 -3,-0.7 3,-0.6 1,-0.3 -1,-0.1 0.773 77.3 45.0 -63.0 -36.5 41.1 10.1 -17.2 510 79 D D G 3 S+ 0 0 112 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.681 112.5 54.4 -80.1 -17.3 38.3 9.2 -19.6 511 80 D N G <> + 0 0 63 -3,-1.0 4,-2.0 -6,-0.2 -1,-0.2 0.007 69.8 117.6-104.8 29.4 39.7 5.7 -20.1 512 81 D I H <> + 0 0 9 -3,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.890 68.1 59.3 -63.7 -46.5 39.8 4.5 -16.4 513 82 D K H 4 S+ 0 0 95 -3,-0.2 4,-0.3 1,-0.2 3,-0.2 0.917 113.0 38.8 -48.8 -52.6 37.3 1.6 -16.8 514 83 D N H >4 S+ 0 0 90 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.845 111.1 58.0 -69.7 -39.1 39.5 -0.1 -19.4 515 84 D T H 3< S+ 0 0 50 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.815 112.7 41.9 -52.9 -35.8 42.9 0.8 -17.7 516 85 D F T 3X S+ 0 0 4 -4,-1.8 4,-2.2 -3,-0.2 -1,-0.2 0.415 85.3 100.8-102.8 5.0 41.7 -1.0 -14.6 517 86 D A H <> S+ 0 0 20 -3,-0.9 4,-1.9 -4,-0.3 -1,-0.2 0.861 84.5 42.2 -61.8 -51.2 40.1 -4.1 -16.1 518 87 D Q H > S+ 0 0 143 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.888 115.2 53.4 -61.0 -43.7 42.8 -6.7 -15.6 519 88 D L H > S+ 0 0 58 -4,-0.3 4,-2.8 1,-0.2 5,-0.3 0.876 104.5 55.3 -61.9 -35.7 43.3 -5.3 -12.1 520 89 D S H X>S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.6 0.948 107.8 47.8 -62.3 -46.3 39.5 -5.8 -11.5 521 90 D E H X>S+ 0 0 77 -4,-1.9 5,-1.9 3,-0.2 4,-0.5 0.896 114.2 48.6 -57.5 -43.2 39.8 -9.5 -12.4 522 91 D L H X>S+ 0 0 56 -4,-2.1 5,-3.2 3,-0.2 4,-0.6 0.969 118.6 36.3 -59.3 -59.8 42.8 -9.9 -10.1 523 92 D H H <5S+ 0 0 41 -4,-2.8 6,-3.2 3,-0.2 -2,-0.2 0.801 133.3 28.2 -67.4 -32.9 41.3 -8.1 -7.1 524 93 D C H X5S+ 0 0 2 -4,-2.8 4,-0.8 -5,-0.3 -3,-0.2 0.911 130.2 31.6 -90.1 -69.1 37.8 -9.5 -7.7 525 94 D D H < - 0 0 45 -2,-0.6 3,-2.2 1,-0.2 4,-0.5 -0.434 19.7-129.3 -58.7 129.8 35.6 -6.6 -0.8 531 100 D P T >> S+ 0 0 37 0, 0.0 4,-1.6 0, 0.0 3,-0.7 0.704 103.1 77.9 -58.2 -19.0 35.2 -3.3 -2.7 532 101 D E H 3> S+ 0 0 68 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.844 90.9 55.9 -55.6 -32.8 34.6 -1.6 0.7 533 102 D N H <> S+ 0 0 10 -3,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.761 98.1 60.0 -69.8 -30.8 38.4 -1.8 1.1 534 103 D F H <> S+ 0 0 18 -3,-0.7 4,-2.1 -4,-0.5 -2,-0.2 0.929 106.8 48.4 -58.1 -45.0 38.9 0.0 -2.3 535 104 D R H X S+ 0 0 65 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.913 110.0 50.3 -61.8 -44.2 37.0 2.9 -0.7 536 105 D L H X S+ 0 0 16 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.888 109.8 50.3 -63.7 -40.0 39.1 2.8 2.6 537 106 D L H X S+ 0 0 31 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.925 110.5 49.9 -64.1 -45.6 42.4 2.9 0.6 538 107 D G H X S+ 0 0 4 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.926 109.9 51.1 -58.5 -49.1 41.2 5.8 -1.4 539 108 D D H X S+ 0 0 9 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.889 110.6 48.7 -50.0 -44.9 40.2 7.6 1.8 540 109 D I H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.898 109.9 52.5 -64.6 -42.0 43.7 6.9 3.3 541 110 D L H X S+ 0 0 4 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.927 106.3 52.3 -64.0 -43.7 45.3 8.2 0.0 542 111 D I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.885 110.1 49.9 -52.9 -44.6 43.3 11.5 0.2 543 112 D I H X S+ 0 0 3 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.903 111.2 48.6 -62.2 -39.8 44.6 11.9 3.8 544 113 D V H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.884 110.5 50.7 -67.2 -39.3 48.2 11.2 2.7 545 114 D L H X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 5,-0.2 0.937 109.0 53.0 -65.2 -40.8 47.8 13.8 -0.1 546 115 D A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 7,-0.2 0.874 110.6 45.5 -57.3 -42.3 46.4 16.3 2.5 547 116 D A H < S+ 0 0 17 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.871 115.1 47.4 -72.5 -37.5 49.5 15.8 4.8 548 117 D H H < S+ 0 0 78 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.774 124.6 29.8 -73.9 -29.1 51.9 16.1 1.9 549 118 D F H >< S- 0 0 16 -4,-1.9 3,-1.7 1,-0.2 4,-0.2 0.589 81.1-178.3-109.3 -15.2 50.3 19.2 0.3 550 119 D T G >< S+ 0 0 57 -4,-2.1 3,-2.0 1,-0.3 -1,-0.2 -0.209 73.8 2.9 48.4-124.6 48.8 21.0 3.4 551 120 D K G 3 S+ 0 0 146 1,-0.3 -1,-0.3 -151,-0.3 -151,-0.1 0.724 123.5 69.5 -70.4 -19.8 47.0 24.2 2.3 552 121 D E G < S+ 0 0 94 -3,-1.7 2,-2.1 1,-0.2 -1,-0.3 0.714 81.2 81.1 -64.5 -19.4 47.6 23.5 -1.4 553 122 D F S < S- 0 0 0 -3,-2.0 -1,-0.2 -4,-0.2 5,-0.1 -0.526 79.0-174.6 -84.0 69.9 45.1 20.7 -1.0 554 123 D T > - 0 0 49 -2,-2.1 4,-2.8 1,-0.1 5,-0.2 -0.088 40.4-103.9 -65.2 167.5 42.2 23.1 -1.2 555 124 D P H > S+ 0 0 30 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.909 126.3 50.0 -54.6 -40.5 38.6 22.0 -0.7 556 125 D E H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.913 111.1 50.3 -65.2 -38.8 38.1 22.1 -4.5 557 126 D C H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 110.5 48.0 -65.4 -48.3 41.2 20.0 -4.9 558 127 D Q H X S+ 0 0 0 -4,-2.8 4,-3.4 2,-0.2 5,-0.3 0.902 108.8 54.2 -53.3 -48.6 40.0 17.4 -2.3 559 128 D A H X S+ 0 0 15 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.913 112.8 43.1 -57.7 -41.9 36.6 17.2 -4.0 560 129 D A H X S+ 0 0 3 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.848 117.0 46.6 -70.1 -39.1 38.3 16.4 -7.4 561 130 D W H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.886 110.7 51.3 -75.4 -35.3 40.8 14.0 -5.8 562 131 D Q H X S+ 0 0 11 -4,-3.4 4,-1.8 1,-0.2 -2,-0.2 0.904 110.5 51.3 -63.9 -39.5 38.1 12.2 -3.8 563 132 D K H X S+ 0 0 32 -4,-1.6 4,-2.8 -5,-0.3 5,-0.2 0.914 106.9 52.5 -62.2 -47.2 36.2 11.9 -7.0 564 133 D L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.935 111.4 45.7 -58.6 -44.9 39.1 10.3 -8.9 565 134 D V H X S+ 0 0 7 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.884 110.3 54.9 -67.6 -33.4 39.6 7.7 -6.3 566 135 D R H X S+ 0 0 93 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.934 111.5 44.2 -64.0 -45.1 35.9 7.0 -6.2 567 136 D V H X S+ 0 0 16 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.873 112.6 52.5 -68.0 -35.6 35.9 6.4 -10.0 568 137 D V H X S+ 0 0 7 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.924 110.6 47.0 -62.3 -45.8 39.1 4.3 -9.6 569 138 D A H X S+ 0 0 19 -4,-2.8 4,-0.5 2,-0.2 -1,-0.2 0.807 111.8 52.3 -62.5 -33.7 37.4 2.1 -7.0 570 139 D H H >< S+ 0 0 53 -4,-1.7 3,-0.8 -5,-0.2 -2,-0.2 0.929 109.7 46.8 -71.6 -43.1 34.4 1.8 -9.2 571 140 D A H >< S+ 0 0 3 -4,-2.3 3,-1.0 1,-0.2 4,-0.2 0.827 110.8 54.1 -61.1 -37.1 36.3 0.6 -12.2 572 141 D L H 3< S+ 0 0 20 -4,-1.8 -1,-0.2 1,-0.2 3,-0.2 0.564 106.5 52.0 -76.2 -14.9 38.2 -1.9 -9.9 573 142 D A T X< S+ 0 0 9 -3,-0.8 3,-1.9 -4,-0.5 4,-0.3 0.343 79.2 103.8 -99.3 6.1 34.9 -3.3 -8.7 574 143 D R G X S+ 0 0 75 -3,-1.0 3,-1.6 1,-0.3 -1,-0.1 0.814 72.3 58.8 -61.2 -35.9 33.7 -3.9 -12.3 575 144 D K G 3 S+ 0 0 71 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.501 95.3 64.2 -73.4 -7.2 34.3 -7.6 -12.3 576 145 D Y G < 0 0 68 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.573 360.0 360.0 -83.8 -11.0 32.0 -8.0 -9.3 577 146 D H < 0 0 85 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 -0.027 360.0 360.0-130.2 360.0 29.2 -6.8 -11.6