==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 22-MAY-06 2H35 . COMPND 2 MOLECULE: HEMOGLOBIN ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.FAN,D.YANG . 574 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29109.0 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 . 16 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 51.2 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 4 2 0 4 2 0 0 0 4 8 0 2 0 0 4 0 2 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 87 0, 0.0 74,-0.1 0, 0.0 130,-0.0 0.000 360.0 360.0 360.0 149.1 -10.3 18.2 -12.0 2 2 A L + 0 0 40 1,-0.1 3,-0.0 72,-0.0 126,-0.0 0.276 360.0 156.7 55.9 163.3 -12.3 15.6 -14.0 3 3 A S + 0 0 84 1,-0.1 4,-0.2 71,-0.0 -1,-0.1 0.059 38.6 95.0 176.2 -47.8 -14.2 16.7 -17.1 4 4 A P S > S- 0 0 81 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.308 104.1 -68.0 -50.4-170.2 -14.7 13.8 -19.6 5 5 A A T 3> S+ 0 0 56 1,-0.3 4,-1.9 2,-0.2 5,-0.4 0.721 112.0 101.6 -60.3 -16.2 -17.9 11.7 -19.6 6 6 A D H 3> S+ 0 0 51 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.815 86.7 45.0 -39.5 -29.1 -16.7 10.4 -16.2 7 7 A K H X>>S+ 0 0 54 -3,-1.6 4,-3.0 2,-0.2 3,-1.4 0.936 100.0 63.7 -83.2 -50.0 -19.3 12.9 -14.9 8 8 A T H 3>5S+ 0 0 90 -4,-0.4 4,-1.5 1,-0.3 -2,-0.2 0.846 106.3 49.1 -43.8 -32.8 -22.2 12.0 -17.2 9 9 A N H 3X5S+ 0 0 33 -4,-1.9 4,-2.2 2,-0.2 -1,-0.3 0.846 114.1 45.3 -77.8 -30.3 -22.0 8.6 -15.5 10 10 A V H X< S+ 0 0 40 -4,-1.9 3,-1.8 1,-0.3 2,-1.2 -0.310 79.0 5.7 59.3-136.8 -32.4 11.6 -6.5 19 19 A A T 3 S+ 0 0 97 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.166 128.0 68.8 -66.3 29.0 -34.1 12.2 -3.1 20 20 A H T 3> + 0 0 99 -2,-1.2 4,-1.7 -3,-0.3 -1,-0.3 0.188 69.8 91.8-129.7 13.1 -32.6 8.8 -2.1 21 21 A A H <> S+ 0 0 11 -3,-1.8 4,-2.0 1,-0.2 5,-0.2 0.960 82.0 53.4 -75.0 -52.4 -28.9 9.8 -2.0 22 22 A G H > S+ 0 0 19 -4,-0.3 4,-0.6 1,-0.2 38,-0.3 0.714 110.2 55.1 -57.0 -14.5 -28.8 10.8 1.7 23 23 A E H >> S+ 0 0 107 2,-0.2 4,-1.7 1,-0.1 3,-1.1 0.948 106.4 43.4 -84.3 -56.5 -30.2 7.3 2.2 24 24 A Y H 3X S+ 0 0 33 -4,-1.7 4,-1.1 1,-0.3 -2,-0.2 0.809 107.8 65.1 -59.9 -24.8 -27.6 5.1 0.4 25 25 A G H 3X S+ 0 0 1 -4,-2.0 4,-0.5 1,-0.2 -1,-0.3 0.874 102.5 46.4 -67.0 -33.8 -25.0 7.3 2.1 26 26 A A H XX S+ 0 0 15 -3,-1.1 4,-1.4 -4,-0.6 3,-1.0 0.899 108.8 53.6 -75.9 -39.0 -26.0 6.0 5.5 27 27 A E H 3X S+ 0 0 30 -4,-1.7 4,-0.6 1,-0.3 -1,-0.2 0.762 99.2 65.5 -67.5 -20.0 -26.1 2.3 4.4 28 28 A A H 3X S+ 0 0 0 -4,-1.1 4,-0.9 -5,-0.2 -1,-0.3 0.805 101.1 50.6 -72.1 -25.4 -22.5 2.8 3.1 29 29 A L H XX S+ 0 0 1 -3,-1.0 4,-2.5 -4,-0.5 3,-0.6 0.979 107.9 47.2 -76.0 -59.3 -21.4 3.4 6.7 30 30 A E H 3X S+ 0 0 73 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.702 102.2 75.2 -56.5 -12.5 -23.0 0.3 8.4 31 31 A R H 3< S+ 0 0 25 -4,-0.6 4,-0.4 -5,-0.2 -1,-0.2 0.989 112.0 17.1 -65.2 -58.3 -21.4 -1.5 5.4 32 32 A M H XX S+ 0 0 16 -4,-0.9 4,-0.9 -3,-0.6 3,-0.7 0.833 123.6 60.4 -84.5 -32.9 -17.8 -1.4 6.6 33 33 A F H >< S+ 0 0 24 -4,-2.5 3,-1.0 1,-0.2 -3,-0.2 0.891 88.9 72.3 -63.5 -36.0 -18.6 -0.7 10.3 34 34 A L T 3< S+ 0 0 30 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.1 0.903 102.9 42.8 -46.9 -40.5 -20.6 -3.9 10.6 35 35 A S T <4 S- 0 0 17 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.780 85.4-179.7 -76.6 -23.6 -17.3 -5.8 10.5 36 36 A F << + 0 0 93 -3,-1.0 -3,-0.1 -4,-0.9 -2,-0.1 0.780 19.9 151.1 21.4 66.0 -15.9 -3.1 12.9 37 37 A P S S+ 0 0 47 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.950 72.9 3.5 -85.4 -62.0 -12.5 -4.8 12.9 38 38 A T S >> S+ 0 0 17 2,-0.1 3,-2.4 1,-0.1 4,-0.9 0.915 126.4 59.7 -91.2 -57.5 -9.9 -2.0 13.5 39 39 A T H 3> S+ 0 0 12 1,-0.3 4,-2.9 2,-0.2 3,-0.4 0.768 86.8 84.5 -44.1 -22.9 -12.2 1.1 14.0 40 40 A K H 34 S+ 0 0 133 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.926 96.8 37.5 -49.1 -45.2 -13.6 -1.0 16.9 41 41 A T H <4 S+ 0 0 65 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.718 113.1 59.7 -80.0 -19.0 -10.7 0.3 19.1 42 42 A Y H < S- 0 0 91 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.873 87.0-157.6 -77.1 -35.5 -10.9 3.7 17.4 43 43 A F < - 0 0 131 -4,-2.9 -3,-0.1 1,-0.1 -2,-0.1 0.974 9.9-144.6 55.0 79.9 -14.5 4.3 18.5 44 44 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.767 34.3-119.0 -46.2 -28.0 -15.6 6.9 15.9 45 45 A H S S+ 0 0 131 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 0.807 92.1 85.2 90.9 35.1 -17.7 8.5 18.6 46 46 A F S S- 0 0 14 8,-0.0 9,-0.2 7,-0.0 8,-0.1 0.102 98.6-103.7-154.3 31.1 -21.2 8.1 17.0 47 47 A D - 0 0 80 1,-0.2 8,-0.3 7,-0.1 7,-0.1 0.917 26.9-154.2 42.3 88.7 -22.5 4.6 17.9 48 48 A L S S+ 0 0 38 6,-0.1 -1,-0.2 -15,-0.1 4,-0.1 0.689 72.0 90.8 -65.4 -13.1 -21.9 2.8 14.6 49 49 A S S S- 0 0 71 1,-0.1 6,-0.2 2,-0.1 -19,-0.0 -0.334 93.4 -90.7 -78.0 165.7 -24.8 0.5 15.8 50 50 A H S S+ 0 0 140 1,-0.2 -1,-0.1 5,-0.1 5,-0.0 0.258 106.9 62.6 -57.8-162.5 -28.4 1.3 14.9 51 51 A G S S+ 0 0 86 1,-0.1 2,-0.2 -3,-0.1 -1,-0.2 0.867 81.6 111.5 47.7 34.5 -30.5 3.4 17.3 52 52 A S >> - 0 0 5 -4,-0.1 3,-2.8 1,-0.1 4,-0.9 -0.659 50.6-170.4-139.1 82.3 -28.0 6.2 16.5 53 53 A A H 3> S+ 0 0 82 1,-0.3 4,-1.2 -2,-0.2 -1,-0.1 0.679 86.5 73.1 -47.7 -10.7 -29.4 9.0 14.4 54 54 A Q H 3> S+ 0 0 102 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.876 91.0 52.7 -74.8 -35.2 -25.8 10.0 14.2 55 55 A V H X> S+ 0 0 10 -3,-2.8 4,-1.6 -8,-0.3 3,-0.7 0.962 113.7 41.5 -65.7 -48.5 -24.9 7.2 11.7 56 56 A K H 3X S+ 0 0 87 -4,-0.9 4,-1.3 1,-0.2 -1,-0.2 0.809 110.7 59.5 -69.2 -25.5 -27.8 8.2 9.3 57 57 A G H 3< S+ 0 0 24 -4,-1.2 4,-0.2 -5,-0.3 -1,-0.2 0.760 104.3 51.3 -73.9 -21.7 -26.8 11.9 9.9 58 58 A H H XX S+ 0 0 73 -4,-1.1 3,-1.5 -3,-0.7 4,-1.0 0.885 100.7 59.9 -82.4 -39.9 -23.3 11.1 8.6 59 59 A G H >X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.3 3,-2.0 0.959 98.5 58.1 -52.9 -51.7 -24.4 9.4 5.4 60 60 A K H 3X S+ 0 0 84 -4,-1.3 4,-1.1 1,-0.3 -1,-0.3 0.771 100.3 60.7 -51.2 -22.7 -26.2 12.6 4.2 61 61 A K H <> S+ 0 0 113 -3,-1.5 4,-1.0 -4,-0.2 -1,-0.3 0.835 106.9 43.5 -76.8 -29.7 -22.8 14.2 4.6 62 62 A V H X S+ 0 0 0 -4,-2.6 3,-2.1 -5,-0.2 4,-1.4 0.934 109.8 45.8 -80.2 -46.9 -19.3 18.5 -5.7 70 70 A V H 3< S+ 0 0 38 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.807 102.2 70.2 -64.4 -22.9 -21.4 17.9 -8.9 71 71 A A T 3< S- 0 0 59 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.715 130.5 -7.8 -66.4 -17.0 -22.7 21.4 -8.1 72 72 A H T <4 + 0 0 79 -3,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.433 64.9 167.5-141.9 -61.3 -19.2 22.6 -9.1 73 73 A V S < S+ 0 0 11 -4,-1.4 -3,-0.1 -5,-0.3 -4,-0.1 0.670 80.2 71.8 44.7 12.2 -16.7 19.8 -9.7 74 74 A D S S+ 0 0 120 -5,-0.2 -1,-0.2 -71,-0.0 -4,-0.1 0.181 117.6 8.4-134.2 10.4 -14.8 22.8 -11.2 75 75 A D S >> S+ 0 0 108 -6,-0.2 3,-0.7 -74,-0.1 4,-0.7 0.157 86.9 119.3-178.5 28.0 -14.0 24.5 -7.9 76 76 A M H 3> + 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.762 57.5 82.6 -78.5 -23.4 -15.0 22.1 -5.2 77 77 A P H 34 S+ 0 0 42 0, 0.0 -1,-0.2 0, 0.0 61,-0.1 0.731 96.8 45.6 -54.4 -18.8 -11.5 21.8 -3.7 78 78 A N H X4 S+ 0 0 120 -3,-0.7 3,-0.5 2,-0.1 4,-0.3 0.836 114.6 43.9 -93.4 -38.1 -12.2 25.1 -1.9 79 79 A A H >< S+ 0 0 53 -4,-0.7 3,-0.7 1,-0.2 4,-0.3 0.917 120.5 41.3 -73.5 -40.2 -15.7 24.2 -0.6 80 80 A L T 3X S+ 0 0 6 -4,-3.2 4,-1.3 1,-0.2 -1,-0.2 0.317 87.4 101.4 -87.6 11.3 -14.6 20.7 0.5 81 81 A S H <> S+ 0 0 62 -3,-0.5 4,-1.0 -5,-0.3 -1,-0.2 0.819 74.7 60.0 -65.3 -26.8 -11.4 22.2 1.8 82 82 A A H X> S+ 0 0 62 -3,-0.7 4,-2.4 -4,-0.3 3,-1.1 0.962 96.8 57.2 -67.0 -49.0 -12.8 22.0 5.3 83 83 A L H 3> S+ 0 0 58 1,-0.3 4,-2.6 -4,-0.3 5,-0.4 0.930 106.6 50.5 -47.7 -47.0 -13.2 18.2 5.2 84 84 A S H 3X>S+ 0 0 18 -4,-1.3 4,-1.4 51,-0.3 5,-0.7 0.834 110.6 50.3 -62.8 -28.5 -9.5 17.9 4.5 85 85 A D H <<5S+ 0 0 81 -3,-1.1 4,-0.4 -4,-1.0 -1,-0.2 0.809 112.8 45.5 -80.0 -28.1 -8.9 20.2 7.5 86 86 A L H <5S+ 0 0 72 -4,-2.4 7,-0.3 -3,-0.2 6,-0.2 0.828 121.9 36.3 -83.2 -32.3 -11.1 18.1 9.8 87 87 A H H <5S+ 0 0 72 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.714 132.6 28.5 -92.0 -22.0 -9.6 14.7 8.6 88 88 A A T <5S+ 0 0 64 -4,-1.4 -3,-0.2 -5,-0.4 -2,-0.1 0.821 129.6 35.2-104.1 -48.0 -6.0 16.0 8.2 89 89 A H S S+ 0 0 120 -6,-0.2 3,-0.7 3,-0.1 -1,-0.1 -0.931 116.1 17.2-172.1 147.1 -8.0 17.1 13.3 91 91 A L T 3 S- 0 0 86 -2,-0.3 -4,-0.1 1,-0.3 -5,-0.1 0.255 81.7-132.6 71.3 -20.1 -9.0 13.6 14.4 92 92 A R T 3 - 0 0 146 -6,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.812 40.8-176.5 43.1 27.2 -5.8 12.5 12.7 93 93 A V < - 0 0 32 -3,-0.7 -3,-0.1 -7,-0.3 -1,-0.1 0.027 29.2-112.5 -47.0 165.2 -8.1 9.8 11.2 94 94 A D > - 0 0 13 1,-0.1 3,-1.9 -3,-0.1 4,-0.2 -0.858 14.5-153.1-109.7 101.2 -6.4 7.2 8.9 95 95 A P G > S+ 0 0 79 0, 0.0 3,-3.1 0, 0.0 4,-0.5 0.636 77.5 101.1 -46.7 -10.8 -7.6 7.6 5.3 96 96 A V G > S+ 0 0 37 1,-0.3 3,-0.6 2,-0.2 4,-0.2 0.757 74.0 62.8 -51.0 -18.1 -6.8 3.9 5.0 97 97 A N G X> S+ 0 0 30 -3,-1.9 3,-3.3 1,-0.2 4,-1.6 0.775 76.6 86.0 -79.2 -24.4 -10.6 3.5 5.4 98 98 A F H <> S+ 0 0 55 -3,-3.1 4,-1.4 1,-0.3 -1,-0.2 0.860 85.3 58.1 -44.3 -35.7 -11.1 5.4 2.1 99 99 A K H <> S+ 0 0 109 -3,-0.6 4,-1.0 -4,-0.5 -1,-0.3 0.791 110.0 44.5 -68.0 -23.8 -10.7 2.0 0.4 100 100 A L H <> S+ 0 0 58 -3,-3.3 4,-2.8 -4,-0.2 3,-0.4 0.956 114.0 43.0 -84.2 -62.1 -13.6 0.7 2.5 101 101 A L H X S+ 0 0 35 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.796 110.8 62.9 -55.5 -23.9 -16.2 3.5 2.3 102 102 A S H X S+ 0 0 10 -4,-1.4 4,-0.6 -5,-0.5 -1,-0.2 0.966 112.1 31.5 -67.9 -50.4 -15.2 3.6 -1.4 103 103 A H H >X S+ 0 0 14 -4,-1.0 4,-2.3 -3,-0.4 3,-0.6 0.796 106.9 74.8 -78.0 -26.4 -16.4 0.1 -2.2 104 104 A C H 3X S+ 0 0 2 -4,-2.8 4,-3.9 1,-0.3 5,-0.4 0.947 90.7 55.9 -50.8 -50.4 -19.2 0.3 0.5 105 105 A L H 3X S+ 0 0 5 -4,-1.3 4,-2.1 1,-0.2 -1,-0.3 0.892 110.2 46.5 -51.3 -38.9 -21.2 2.6 -1.9 106 106 A L H < S+ 0 0 0 -4,-3.9 3,-1.0 -5,-0.3 -3,-0.2 0.923 112.4 47.6 -81.1 -45.2 -24.6 -0.9 -0.2 109 109 A L H >X S+ 0 0 5 -4,-2.1 3,-2.9 -5,-0.4 4,-0.5 0.770 94.4 80.9 -66.9 -20.7 -26.3 0.5 -3.3 110 110 A A H 3< S+ 0 0 3 -4,-0.5 -1,-0.2 1,-0.3 151,-0.2 0.920 78.2 66.4 -51.7 -43.0 -26.4 -3.0 -4.7 111 111 A A T << S+ 0 0 33 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.612 129.7 2.0 -56.8 -3.6 -29.4 -3.7 -2.5 112 112 A H T <4 S- 0 0 119 -3,-2.9 -2,-0.2 -4,-0.1 -3,-0.1 0.229 136.8 -17.8-143.2 -85.6 -31.0 -1.2 -4.9 113 113 A L < + 0 0 42 -4,-0.5 -3,-0.2 1,-0.1 -2,-0.1 -0.838 63.5 160.0-139.8 100.1 -29.0 0.3 -7.8 114 114 A P S S- 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 0.840 75.0 -13.2 -84.3 -98.8 -25.2 0.1 -7.7 115 115 A A S S- 0 0 19 -9,-0.2 10,-0.1 1,-0.1 9,-0.0 0.976 77.8-132.5 -72.1 -56.6 -23.2 0.5 -10.9 116 116 A E - 0 0 47 1,-0.1 -1,-0.1 5,-0.1 -3,-0.0 0.200 49.7 -86.2 116.6 -6.7 -26.2 0.1 -13.4 117 117 A F S S+ 0 0 122 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.822 83.8 142.1 79.5 33.3 -24.3 -2.4 -15.6 118 118 A T >> - 0 0 45 1,-0.1 2,-2.8 -109,-0.0 4,-1.0 -0.917 61.4-124.8-108.9 125.1 -22.6 0.2 -17.7 119 119 A P T 34 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 75,-0.0 0.290 111.9 30.7 -50.9 21.1 -18.9 -0.6 -18.8 120 120 A A T >> S+ 0 0 43 -2,-2.8 4,-1.3 -111,-0.0 3,-0.8 0.447 98.2 76.7-149.4 -32.5 -18.1 2.8 -17.2 121 121 A V H X> S+ 0 0 4 -3,-0.7 4,-1.3 1,-0.3 3,-1.2 0.947 90.4 60.8 -55.0 -48.8 -20.5 3.5 -14.3 122 122 A H H 3X S+ 0 0 15 -4,-1.0 4,-0.6 1,-0.3 -1,-0.3 0.875 110.9 42.2 -47.8 -36.2 -18.6 1.1 -12.0 123 123 A A H <>>S+ 0 0 22 -3,-0.8 4,-3.6 3,-0.2 5,-0.7 0.698 103.1 71.5 -84.5 -19.5 -15.6 3.3 -12.5 124 124 A S H <5S+ 0 0 68 -4,-3.6 3,-4.8 2,-0.2 4,-0.5 0.869 110.0 68.1 -90.2 -40.4 -12.8 6.9 -10.0 128 128 A F T >X S+ 0 0 12 -5,-0.3 4,-4.4 1,-0.3 5,-0.4 0.749 78.7 78.5 -69.0 -17.9 -13.8 9.7 -5.9 130 130 A A H <> S+ 0 0 48 -3,-4.8 4,-1.5 1,-0.3 -1,-0.3 0.897 98.3 41.1 -57.6 -36.8 -10.4 10.7 -7.3 131 131 A S H <> S+ 0 0 2 -3,-1.1 4,-1.1 -4,-0.5 -1,-0.3 0.797 119.5 45.2 -81.5 -26.8 -11.5 14.3 -7.3 132 132 A V H X S+ 0 0 12 -4,-1.0 4,-0.7 2,-0.2 -2,-0.2 0.781 115.3 47.2 -85.4 -26.7 -13.3 13.8 -3.9 133 133 A S H X S+ 0 0 36 -4,-4.4 4,-0.6 2,-0.2 -3,-0.2 0.828 110.9 51.4 -82.7 -31.5 -10.3 11.9 -2.4 134 134 A T H >< 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3,-0.3 1,-0.3 -3,-0.1 0.506 55.6 102.5 -70.2 2.2 11.3 -19.5 13.9 510 79 D D T 3 S- 0 0 125 1,-0.3 -1,-0.3 -5,-0.2 2,-0.2 0.825 103.1 -5.7 -55.9 -26.6 9.3 -22.7 14.5 511 80 D N <> - 0 0 86 -3,-1.3 4,-0.8 -6,-0.1 -1,-0.3 -0.691 58.1-178.7-170.6 112.0 6.2 -20.4 14.6 512 81 D L H >> S+ 0 0 18 -3,-0.3 4,-3.3 -2,-0.2 3,-1.1 0.965 88.4 54.3 -80.2 -58.1 6.1 -16.6 14.4 513 82 D K H 34 S+ 0 0 93 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.797 101.5 67.4 -47.3 -24.1 2.3 -16.0 14.6 514 83 D G H 34 S+ 0 0 47 2,-0.2 3,-0.4 1,-0.1 -1,-0.3 0.971 116.5 20.3 -63.6 -51.5 2.7 -18.1 17.8 515 84 D T H XX S+ 0 0 53 -3,-1.1 3,-1.3 -4,-0.8 4,-0.6 0.876 121.8 59.2 -85.5 -39.7 4.7 -15.4 19.6 516 85 D F H 3X S+ 0 0 3 -4,-3.3 4,-2.0 1,-0.3 5,-0.3 0.394 79.5 97.5 -70.5 10.3 3.6 -12.5 17.5 517 86 D A H 3> S+ 0 0 43 -3,-0.4 4,-1.3 -5,-0.3 -1,-0.3 0.876 89.0 37.8 -67.7 -33.8 0.1 -13.4 18.6 518 87 D T H <> S+ 0 0 89 -3,-1.3 4,-4.5 2,-0.2 5,-0.4 0.948 116.4 48.8 -82.1 -53.2 0.2 -10.7 21.3 519 88 D L H X S+ 0 0 50 -4,-0.6 4,-3.6 2,-0.2 5,-0.3 0.951 115.7 45.8 -51.9 -49.7 2.1 -8.0 19.4 520 89 D S H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.966 118.0 42.0 -59.7 -50.4 -0.3 -8.4 16.4 521 90 D E H X>S+ 0 0 93 -4,-1.3 4,-1.9 -5,-0.3 5,-0.9 0.910 120.0 44.4 -64.3 -38.8 -3.3 -8.4 18.7 522 91 D L H <>S+ 0 0 68 -4,-4.5 5,-1.7 1,-0.2 6,-0.3 0.857 119.1 42.5 -74.4 -32.6 -1.8 -5.5 20.7 523 92 D H H <>S+ 0 0 49 -4,-3.6 6,-1.8 -5,-0.4 5,-0.9 0.719 117.7 48.4 -84.9 -20.3 -0.8 -3.7 17.6 524 93 D C H <5S+ 0 0 2 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.955 129.1 14.6 -83.8 -59.9 -4.1 -4.4 15.8 525 94 D D T <5S+ 0 0 60 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.1 0.835 135.3 41.1 -86.6 -34.8 -6.7 -3.5 18.4 526 95 D K T > S+ 0 0 15 -2,-1.1 3,-2.5 -4,-0.1 4,-1.6 0.411 83.3 66.8-148.8 -47.0 4.5 0.5 7.5 534 103 D F H 3> S+ 0 0 32 -4,-0.4 4,-1.8 1,-0.3 5,-0.3 0.938 92.8 65.8 -51.3 -47.4 6.3 -2.7 8.5 535 104 D R H 3> S+ 0 0 86 -4,-0.5 4,-0.5 1,-0.2 -1,-0.3 0.769 106.7 46.6 -48.4 -19.9 7.6 -3.1 5.0 536 105 D L H X> S+ 0 0 28 -3,-2.5 4,-2.0 2,-0.2 3,-1.7 0.931 103.0 55.2 -88.7 -57.6 9.5 0.1 5.8 537 106 D L H 3X S+ 0 0 25 -4,-1.6 4,-1.5 1,-0.3 5,-0.2 0.774 108.4 56.4 -47.9 -20.9 11.0 -0.6 9.2 538 107 D G H 3X S+ 0 0 16 -4,-1.8 4,-1.1 -5,-0.3 -1,-0.3 0.844 107.5 44.3 -81.7 -33.2 12.5 -3.6 7.4 539 108 D N H X S+ 0 0 5 -4,-2.0 4,-1.5 2,-0.2 3,-0.7 0.952 106.8 48.4 -83.1 -56.7 15.5 1.0 7.3 541 110 D L H >X S+ 0 0 14 -4,-1.5 4,-1.5 1,-0.3 3,-1.2 0.951 107.5 57.1 -48.7 -53.2 17.1 -1.4 9.8 542 111 D V H 3X S+ 0 0 13 -4,-1.1 4,-2.6 1,-0.3 3,-0.5 0.897 103.8 54.4 -47.0 -40.8 18.9 -3.2 7.0 543 112 D C H < S+ 0 0 70 -4,-1.3 3,-0.9 -5,-0.3 -2,-0.2 0.953 122.1 31.5 -84.8 -62.6 26.3 1.2 7.2 548 117 D H H 3< S+ 0 0 97 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.731 142.4 22.9 -68.6 -17.6 27.7 0.2 10.6 549 118 D F T >< S+ 0 0 66 -4,-3.4 3,-1.2 -5,-0.2 -1,-0.3 -0.322 70.7 142.9-144.2 57.8 28.6 -3.2 9.0 550 119 D G G X + 0 0 12 -3,-0.9 3,-1.2 1,-0.3 -150,-0.1 0.781 68.2 72.9 -70.5 -23.1 28.9 -2.7 5.2 551 120 D K G 3 S+ 0 0 200 1,-0.2 -1,-0.3 -4,-0.2 -5,-0.1 0.381 104.3 41.2 -72.6 10.8 31.8 -5.1 5.1 552 121 D E G < S+ 0 0 80 -3,-1.2 2,-1.0 -7,-0.1 -1,-0.2 0.344 77.4 104.5-135.3 -0.3 29.2 -7.8 5.7 553 122 D F < + 0 0 56 -3,-1.2 5,-0.2 -4,-0.2 -3,-0.1 0.069 53.2 164.8 -73.8 33.5 26.3 -6.7 3.4 554 123 D T >> - 0 0 43 -2,-1.0 4,-1.3 1,-0.1 3,-1.2 -0.142 51.6-108.4 -50.2 148.2 27.4 -9.6 1.1 555 124 D P H >> S+ 0 0 74 0, 0.0 4,-2.0 0, 0.0 3,-0.8 0.907 119.2 49.9 -46.9 -53.0 24.7 -10.4 -1.5 556 125 D P H 3> S+ 0 0 73 0, 0.0 4,-0.8 0, 0.0 -2,-0.1 0.746 107.3 56.6 -62.6 -22.0 23.8 -13.8 0.1 557 126 D V H <4 S+ 0 0 11 -3,-1.2 -3,-0.1 2,-0.1 -4,-0.1 0.784 110.7 43.3 -81.6 -25.5 23.4 -12.0 3.5 558 127 D Q H XX S+ 0 0 7 -4,-1.3 3,-2.7 -3,-0.8 4,-0.9 0.957 110.0 50.7 -83.4 -59.7 20.8 -9.5 2.1 559 128 D A H >X S+ 0 0 33 -4,-2.0 4,-0.7 1,-0.3 3,-0.6 0.882 111.6 52.5 -45.9 -38.2 18.6 -11.8 0.0 560 129 D A H 3< S+ 0 0 2 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.1 0.046 102.9 62.8 -87.6 29.5 18.4 -14.0 3.2 561 130 D Y H <> S+ 0 0 6 -3,-2.7 4,-1.2 3,-0.1 -1,-0.2 0.563 97.4 49.7-124.1 -22.4 17.3 -11.0 5.2 562 131 D Q H 4 S+ 0 0 9 2,-0.2 3,-1.2 1,-0.1 4,-0.4 0.992 116.9 24.0 -72.4 -68.3 13.1 -13.6 7.1 565 134 D V H >X S+ 0 0 22 -4,-1.2 4,-1.5 1,-0.2 3,-1.3 0.751 105.4 84.5 -70.3 -19.9 11.6 -10.4 8.7 566 135 D A H 3X S+ 0 0 8 -4,-3.3 4,-1.3 1,-0.3 -1,-0.2 0.838 83.7 61.2 -52.0 -28.6 9.0 -10.4 5.9 567 136 D G H <> S+ 0 0 17 -3,-1.2 4,-3.2 -4,-0.5 -1,-0.3 0.893 99.4 54.1 -67.4 -36.4 7.1 -12.8 8.1 568 137 D V H <> S+ 0 0 11 -3,-1.3 4,-2.8 -4,-0.4 5,-0.2 0.958 100.5 58.9 -63.5 -47.9 6.9 -10.2 10.9 569 138 D A H < S+ 0 0 15 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.914 116.6 35.1 -48.1 -43.2 5.3 -7.6 8.6 570 139 D N H >X S+ 0 0 47 -4,-1.3 3,-2.8 1,-0.2 4,-1.4 0.885 110.2 63.4 -80.2 -38.2 2.5 -10.1 7.9 571 140 D A H >X S+ 0 0 1 -4,-3.2 3,-0.9 1,-0.3 4,-0.6 0.943 104.2 47.6 -51.4 -48.4 2.5 -11.5 11.5 572 141 D L H 3< S+ 0 0 20 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.371 119.9 42.5 -75.5 11.0 1.5 -8.1 12.8 573 142 D A H <> S+ 0 0 9 -3,-2.8 4,-1.1 -5,-0.2 -2,-0.2 0.386 88.0 85.6-132.4 -4.7 -1.1 -8.1 10.1 574 143 D H H << S+ 0 0 84 -4,-1.4 -2,-0.1 -3,-0.9 -3,-0.1 0.823 95.2 46.8 -70.1 -27.5 -2.5 -11.7 10.2 575 144 D K T < S+ 0 0 82 -4,-0.6 -1,-0.2 -5,-0.2 -2,-0.1 0.676 99.5 71.7 -86.9 -16.4 -4.9 -10.6 13.0 576 145 D Y T 4 0 0 16 1,-0.3 -2,-0.2 -3,-0.1 -1,-0.1 0.996 360.0 360.0 -62.2 -61.6 -6.0 -7.5 11.0 577 146 D H < 0 0 106 -4,-1.1 -1,-0.3 -300,-0.1 -2,-0.1 -0.172 360.0 360.0 -77.3 360.0 -8.0 -9.4 8.3