==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 10-JUN-09 3HRW . COMPND 2 MOLECULE: HEMOGLOBIN SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.S.SUNDARESAN,P.RAMESH,M.N.PONNUSWAMY . 574 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 417 72.6 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 . 1 0.2 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 . 96 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 293 51.0 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 1 2 2 0 0 0 2 1 2 2 1 3 1 4 4 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 84 0, 0.0 429,-0.1 0, 0.0 426,-0.0 0.000 360.0 360.0 360.0 -77.2 3.5 20.8 9.7 2 2 A L + 0 0 52 1,-0.2 2,-0.3 122,-0.0 428,-0.0 1.000 360.0 163.5 61.2 71.3 5.0 24.2 10.8 3 3 A S > - 0 0 69 121,-0.0 3,-2.6 0, 0.0 4,-0.5 -0.899 53.7 -69.8-121.9 146.9 1.9 26.4 10.1 4 4 A G T 3> S+ 0 0 39 -2,-0.3 4,-2.8 1,-0.3 5,-0.1 0.399 129.7 48.2 13.0 -75.2 0.9 29.9 11.2 5 5 A E H 3> S+ 0 0 142 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.913 109.2 54.4 -53.5 -49.1 0.3 29.1 14.9 6 6 A D H <> S+ 0 0 9 -3,-2.6 4,-4.9 1,-0.2 5,-0.3 0.938 110.2 46.3 -47.3 -55.5 3.6 27.2 15.1 7 7 A K H > S+ 0 0 73 -4,-0.5 4,-2.7 2,-0.2 5,-0.5 0.920 112.8 50.6 -56.7 -46.9 5.5 30.3 13.8 8 8 A S H X S+ 0 0 69 -4,-2.8 4,-3.8 2,-0.2 -2,-0.2 0.982 122.3 31.4 -50.8 -63.8 3.5 32.5 16.2 9 9 A N H X S+ 0 0 23 -4,-3.1 4,-2.0 2,-0.2 5,-0.3 0.860 118.0 55.9 -64.7 -42.3 4.3 30.3 19.3 10 10 A I H < S+ 0 0 1 -4,-4.9 4,-0.4 -5,-0.4 -1,-0.2 0.891 122.7 27.4 -60.6 -41.6 7.7 29.2 18.0 11 11 A K H < S+ 0 0 102 -4,-2.7 4,-0.3 -5,-0.3 -2,-0.2 0.865 119.3 58.0 -85.0 -38.1 8.8 32.8 17.6 12 12 A A H X S+ 0 0 63 -4,-3.8 4,-0.7 -5,-0.5 -3,-0.2 0.695 112.0 38.7 -68.6 -24.4 6.6 34.2 20.4 13 13 A A H X S+ 0 0 20 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.643 102.1 69.4 -99.8 -19.9 7.9 32.1 23.2 14 14 A W H 4 S+ 0 0 35 -4,-0.4 -2,-0.2 -5,-0.3 -1,-0.1 0.476 102.0 51.4 -77.6 -2.1 11.6 32.1 22.1 15 15 A G H >4 S+ 0 0 46 -4,-0.3 3,-2.2 2,-0.2 -1,-0.2 0.805 93.8 63.8 -94.1 -48.5 11.4 35.8 23.2 16 16 A K H 3< S+ 0 0 132 -4,-0.7 -2,-0.2 1,-0.3 -3,-0.1 0.748 103.7 58.4 -42.8 -21.3 10.0 35.2 26.7 17 17 A I T >< S+ 0 0 7 -4,-0.5 3,-2.6 1,-0.1 -1,-0.3 0.798 80.6 159.1 -81.9 -34.8 13.4 33.5 26.8 18 18 A G G X S- 0 0 47 -3,-2.2 3,-1.6 1,-0.3 -1,-0.1 -0.013 74.9 -14.1 40.9-143.6 15.3 36.7 25.9 19 19 A G G > S+ 0 0 72 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.453 124.8 83.3 -65.8 3.3 19.0 36.5 27.0 20 20 A H G X> + 0 0 98 -3,-2.6 4,-2.0 1,-0.2 3,-0.6 0.619 60.9 92.9 -82.2 -14.6 18.1 33.5 29.1 21 21 A G H <> S+ 0 0 13 -3,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.767 83.4 51.4 -49.2 -35.0 18.3 30.9 26.3 22 22 A A H <> S+ 0 0 6 -3,-0.5 4,-1.7 2,-0.3 -1,-0.2 0.833 109.9 46.1 -79.0 -35.5 21.9 30.1 27.0 23 23 A E H <> S+ 0 0 76 -3,-0.6 4,-2.5 -4,-0.3 -1,-0.2 0.793 116.0 50.4 -70.2 -29.1 21.5 29.3 30.7 24 24 A Y H X S+ 0 0 9 -4,-2.0 4,-2.5 2,-0.2 -2,-0.3 0.902 109.1 48.5 -71.1 -42.8 18.5 27.4 29.4 25 25 A G H X S+ 0 0 2 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.819 114.2 48.3 -65.2 -32.2 20.7 25.6 26.9 26 26 A A H X S+ 0 0 9 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.913 111.3 49.0 -67.5 -47.9 23.0 25.0 29.8 27 27 A E H X S+ 0 0 27 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.831 110.3 51.1 -64.5 -38.3 20.2 23.7 32.0 28 28 A A H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.861 110.1 49.4 -65.1 -41.7 18.9 21.4 29.3 29 29 A L H X S+ 0 0 5 -4,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.933 111.5 48.6 -65.5 -46.2 22.3 19.8 28.7 30 30 A E H X S+ 0 0 38 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.829 107.8 55.8 -65.3 -33.2 22.8 19.3 32.4 31 31 A R H X S+ 0 0 3 -4,-1.5 4,-2.2 1,-0.2 3,-0.3 0.962 103.3 55.2 -62.2 -50.6 19.4 17.7 32.7 32 32 A M H X S+ 0 0 9 -4,-2.0 4,-3.6 1,-0.2 7,-0.2 0.909 103.7 54.3 -42.8 -59.0 20.2 15.1 30.0 33 33 A F H < S+ 0 0 10 -4,-1.6 -1,-0.2 1,-0.2 7,-0.2 0.842 109.9 45.5 -52.0 -47.1 23.4 13.9 31.9 34 34 A A H < S+ 0 0 46 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.939 123.1 35.0 -61.9 -47.3 21.6 13.1 35.1 35 35 A S H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.752 132.7 28.6 -81.3 -26.6 18.6 11.4 33.4 36 36 A F < - 0 0 39 -4,-3.6 -1,-0.3 -5,-0.3 4,-0.1 -0.941 65.1-178.4-137.8 103.3 20.7 9.8 30.6 37 37 A P S > S+ 0 0 66 0, 0.0 3,-0.6 0, 0.0 4,-0.1 0.582 80.8 67.7 -77.0 -16.3 24.3 9.2 31.8 38 38 A T G > S+ 0 0 17 1,-0.2 3,-3.0 2,-0.2 4,-0.3 0.861 83.8 69.2 -67.5 -38.8 25.1 7.8 28.3 39 39 A T G > S+ 0 0 2 1,-0.3 3,-0.7 -7,-0.2 -1,-0.2 0.700 87.0 71.7 -54.9 -15.5 24.6 11.3 26.8 40 40 A K G X S+ 0 0 91 -3,-0.6 3,-1.3 1,-0.2 -1,-0.3 0.675 78.5 77.2 -72.0 -20.6 27.8 12.0 28.7 41 41 A T G < S+ 0 0 23 -3,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.770 88.1 54.5 -59.7 -31.8 29.9 9.9 26.3 42 42 A Y G < S+ 0 0 43 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.479 109.8 51.4 -84.5 0.0 29.9 12.6 23.5 43 43 A F < + 0 0 37 -3,-1.3 3,-0.4 1,-0.1 -1,-0.2 -0.259 59.6 134.0-133.4 48.1 31.3 15.1 26.0 44 44 A P S S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.638 73.7 57.9 -79.9 -15.4 34.4 13.5 27.7 45 45 A H S S+ 0 0 123 -3,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.774 93.6 85.4 -79.6 -31.2 36.6 16.6 27.3 46 46 A F S S- 0 0 42 -3,-0.4 2,-0.8 1,-0.1 -3,-0.1 -0.317 84.1-124.4 -68.4 151.6 34.1 18.7 29.2 47 47 A D - 0 0 90 1,-0.1 8,-0.4 2,-0.1 7,-0.2 -0.894 31.0-163.0 -95.6 101.7 34.0 18.9 33.0 48 48 A V + 0 0 39 -2,-0.8 -1,-0.1 -5,-0.1 -15,-0.1 0.500 42.1 121.5 -79.0 -7.0 30.4 17.8 33.4 49 49 A S S > S- 0 0 70 2,-0.1 3,-2.0 1,-0.0 6,-0.2 -0.111 78.0 -87.3 -61.4 159.7 29.7 19.0 36.9 50 50 A H T 3 S+ 0 0 139 1,-0.3 -20,-0.1 5,-0.1 -1,-0.0 0.731 118.3 31.2 -42.3 -63.1 26.8 21.4 37.6 51 51 A G T 3 S+ 0 0 51 4,-0.1 -1,-0.3 5,-0.0 -2,-0.1 0.356 84.7 155.6 -84.0 8.2 28.3 25.0 37.2 52 52 A S <> - 0 0 8 -3,-2.0 4,-2.3 -5,-0.1 5,-0.2 0.059 43.7-142.5 -51.4 135.9 30.8 24.0 34.5 53 53 A A H > S+ 0 0 83 2,-0.2 4,-2.7 1,-0.2 -1,-0.1 0.742 100.6 54.2 -70.6 -27.7 32.1 26.7 32.1 54 54 A Q H > S+ 0 0 76 -7,-0.2 4,-4.4 2,-0.2 5,-0.3 0.960 110.8 44.0 -67.4 -54.9 32.3 24.3 29.2 55 55 A V H > S+ 0 0 6 -8,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.915 119.3 44.8 -55.2 -47.5 28.6 23.2 29.6 56 56 A K H X S+ 0 0 103 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.931 115.5 47.5 -57.1 -51.4 27.8 26.9 30.1 57 57 A G H X S+ 0 0 34 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.902 116.2 43.9 -57.5 -43.0 30.0 27.8 27.1 58 58 A H H X S+ 0 0 54 -4,-4.4 4,-2.0 1,-0.2 3,-0.3 0.778 106.2 61.8 -74.9 -27.1 28.4 25.1 25.1 59 59 A G H X S+ 0 0 0 -4,-2.2 4,-0.7 -5,-0.3 -1,-0.2 0.824 98.8 57.2 -65.7 -29.7 24.9 26.0 26.2 60 60 A K H X S+ 0 0 112 -4,-1.3 4,-1.7 -3,-0.2 -1,-0.2 0.804 106.6 48.4 -73.1 -29.7 25.4 29.4 24.6 61 61 A K H X S+ 0 0 134 -4,-0.6 4,-3.1 -3,-0.3 5,-0.3 0.952 109.9 49.5 -75.8 -51.2 26.1 27.8 21.3 62 62 A V H < S+ 0 0 33 -4,-2.0 4,-0.5 1,-0.2 -2,-0.2 0.588 112.2 52.6 -64.4 -12.9 23.0 25.5 21.5 63 63 A A H X S+ 0 0 12 -4,-0.7 4,-2.8 -5,-0.2 -1,-0.2 0.888 112.8 42.4 -77.3 -48.0 21.1 28.7 22.4 64 64 A D H X S+ 0 0 96 -4,-1.7 4,-3.2 2,-0.2 5,-0.3 0.943 110.6 53.2 -69.7 -52.3 22.4 30.6 19.4 65 65 A A H X S+ 0 0 31 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.895 117.7 39.8 -48.7 -47.3 22.1 27.9 16.8 66 66 A L H > S+ 0 0 10 -4,-0.5 4,-4.1 -5,-0.3 5,-0.3 0.880 112.6 53.2 -68.7 -44.5 18.4 27.4 17.8 67 67 A A H < S+ 0 0 48 -4,-2.8 4,-0.4 2,-0.2 -2,-0.2 0.901 113.9 44.3 -62.4 -42.4 17.6 31.1 18.3 68 68 A S H >X S+ 0 0 52 -4,-3.2 4,-1.7 2,-0.2 3,-1.5 0.956 116.0 48.5 -57.8 -52.6 18.9 31.7 14.8 69 69 A A H 3< S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.858 103.7 58.2 -58.4 -43.0 17.0 28.6 13.7 70 70 A A T 3< S+ 0 0 3 -4,-4.1 3,-0.3 1,-0.1 -1,-0.3 0.620 110.2 48.9 -65.2 -13.7 13.8 29.7 15.4 71 71 A G T <4 S+ 0 0 28 -3,-1.5 2,-4.9 -4,-0.4 3,-0.3 0.900 105.5 50.5 -84.7 -77.7 14.1 32.7 13.2 72 72 A H < + 0 0 102 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 -0.201 68.4 150.4 -61.4 61.4 14.8 31.2 9.8 73 73 A L + 0 0 13 -2,-4.9 3,-0.4 -3,-0.3 -1,-0.2 0.718 66.3 60.2 -63.8 -22.4 11.7 29.0 10.3 74 74 A D S S+ 0 0 144 1,-0.3 2,-0.4 -3,-0.3 -1,-0.2 0.722 114.6 29.7 -86.1 -23.3 11.2 29.0 6.6 75 75 A D + 0 0 105 -3,-0.5 -1,-0.3 -6,-0.2 4,-0.3 -0.860 64.6 161.8-132.1 99.4 14.6 27.4 5.7 76 76 A L > + 0 0 10 -2,-0.4 4,-0.8 -3,-0.4 2,-0.6 0.639 68.0 68.8 -83.4 -24.1 15.5 25.2 8.6 77 77 A P T 4 S+ 0 0 63 0, 0.0 55,-0.0 0, 0.0 -1,-0.0 -0.890 102.2 31.9 -86.8 126.9 18.0 23.4 6.4 78 78 A G T 4 S+ 0 0 53 -2,-0.6 -2,-0.1 0, 0.0 -3,-0.0 -0.117 113.5 58.6 117.5 -38.4 20.8 25.8 5.6 79 79 A A T 4 S+ 0 0 32 -4,-0.3 3,-0.4 -7,-0.2 4,-0.1 0.801 118.6 34.5 -78.6 -36.0 20.7 27.7 8.9 80 80 A L S >X S+ 0 0 4 -4,-0.8 3,-1.6 1,-0.2 4,-1.1 0.468 94.5 90.2 -93.6 -6.1 21.4 24.3 10.6 81 81 A S T 34 S+ 0 0 63 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.422 76.4 67.1 -80.8 1.9 23.6 23.0 7.8 82 82 A A T 3> S+ 0 0 79 -3,-0.4 4,-0.6 2,-0.1 -1,-0.3 0.790 112.5 35.2 -66.6 -36.5 26.5 24.4 9.6 83 83 A L H <> S+ 0 0 52 -3,-1.6 4,-1.9 2,-0.2 5,-0.4 0.569 98.2 73.9-105.8 -15.1 25.6 21.7 12.1 84 84 A S H X S+ 0 0 1 -4,-1.1 4,-3.9 2,-0.2 5,-0.4 0.999 99.9 49.0 -57.8 -62.4 24.4 18.7 10.2 85 85 A D H >>S+ 0 0 79 -4,-0.4 4,-2.8 1,-0.2 5,-2.2 0.871 111.4 48.9 -39.0 -58.5 27.9 17.8 9.1 86 86 A L H <>S+ 0 0 54 -4,-0.6 5,-1.8 3,-0.2 6,-0.4 0.938 121.6 31.6 -56.3 -57.4 29.4 18.1 12.6 87 87 A H H <5S+ 0 0 38 -4,-1.9 6,-3.1 3,-0.2 -1,-0.2 0.906 129.8 38.3 -66.0 -45.8 26.9 16.0 14.4 88 88 A A H <5S+ 0 0 2 -4,-3.9 -3,-0.2 -5,-0.4 -2,-0.2 0.939 135.6 9.6 -76.2 -49.9 26.1 13.7 11.5 89 89 A H T <5S+ 0 0 96 -4,-2.8 -3,-0.2 -5,-0.4 -4,-0.1 0.876 133.6 36.5 -93.9 -50.6 29.5 13.2 9.8 90 90 A K T - 0 0 0 1,-0.1 3,-2.4 -2,-0.1 4,-0.3 -0.891 18.1-135.4 -96.8 121.6 23.4 9.0 17.7 95 95 A P T >> S+ 0 0 17 0, 0.0 3,-0.9 0, 0.0 4,-0.7 0.673 98.6 71.3 -42.9 -29.2 20.0 10.2 16.4 96 96 A V H 3> S+ 0 0 25 1,-0.2 4,-1.2 2,-0.2 3,-0.1 0.694 84.8 66.0 -66.4 -20.9 18.4 9.1 19.7 97 97 A N H <> S+ 0 0 13 -3,-2.4 4,-4.0 1,-0.2 -1,-0.2 0.709 90.0 62.0 -81.1 -18.6 19.9 11.8 21.8 98 98 A F H <> S+ 0 0 20 -3,-0.9 4,-2.5 -4,-0.3 5,-0.3 0.861 102.8 52.2 -71.7 -35.6 18.1 14.7 20.1 99 99 A K H X S+ 0 0 137 -4,-0.7 4,-1.1 2,-0.2 -2,-0.2 0.923 115.6 43.1 -56.0 -45.1 14.9 13.0 21.4 100 100 A L H X S+ 0 0 30 -4,-1.2 4,-2.0 2,-0.2 -2,-0.3 0.937 116.3 44.6 -69.3 -49.5 16.6 13.1 24.7 101 101 A L H X S+ 0 0 37 -4,-4.0 4,-3.3 1,-0.2 5,-0.2 0.950 112.2 49.9 -63.4 -50.9 18.0 16.6 24.5 102 102 A S H X S+ 0 0 11 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.754 109.1 54.3 -62.4 -27.0 14.9 18.3 23.1 103 103 A H H >X S+ 0 0 12 -4,-1.1 4,-2.3 -5,-0.3 3,-1.0 0.985 112.9 40.8 -67.0 -58.0 12.9 16.7 25.9 104 104 A C H 3X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.3 -2,-0.2 0.885 110.0 60.6 -52.7 -44.9 15.2 18.2 28.5 105 105 A L H 3X S+ 0 0 13 -4,-3.3 4,-0.9 -5,-0.2 -1,-0.3 0.818 111.3 40.9 -51.7 -34.9 15.3 21.4 26.6 106 106 A L H XX S+ 0 0 4 -4,-1.1 4,-2.9 -3,-1.0 3,-0.7 0.954 105.1 59.5 -82.1 -55.6 11.5 21.6 27.1 107 107 A V H 3X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.3 -2,-0.2 0.839 106.3 54.4 -37.2 -44.4 11.1 20.5 30.7 108 108 A T H 3X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 -1,-0.3 0.912 108.5 44.5 -60.2 -51.0 13.4 23.5 31.5 109 109 A L H X + 0 0 48 -4,-2.5 4,-2.0 -5,-0.3 3,-0.8 -0.337 64.0 154.7-137.7 59.6 8.2 29.6 32.2 114 114 A P T 34 + 0 0 46 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.925 70.0 60.1 -56.5 -55.4 4.9 27.9 33.0 115 115 A A T 34 S+ 0 0 92 1,-0.3 3,-0.1 143,-0.1 -5,-0.1 0.794 115.4 37.2 -43.9 -38.3 2.4 30.7 32.1 116 116 A D T <4 S+ 0 0 40 -3,-0.8 2,-3.5 1,-0.2 -1,-0.3 0.857 93.8 88.6 -80.3 -37.9 3.7 30.6 28.6 117 117 A F < + 0 0 6 -4,-2.0 -1,-0.2 -3,-0.5 -2,-0.1 -0.259 60.9 162.1 -68.8 65.3 4.2 26.9 28.3 118 118 A T >> - 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0 0 107 -2,-0.5 -1,-0.2 1,-0.2 -4,-0.0 0.773 28.9-154.1 -21.3 -76.1 -1.5 18.3 44.0 162 20 B S S S+ 0 0 46 -3,-0.1 4,-0.3 52,-0.0 -1,-0.2 0.230 72.3 75.5 107.9 -12.2 -1.6 15.0 42.0 163 21 B D S > S+ 0 0 68 2,-0.1 4,-1.2 3,-0.1 47,-0.1 0.824 95.9 37.9 -90.0 -47.8 -4.9 15.5 40.2 164 22 B E H > S+ 0 0 98 1,-0.2 4,-3.9 2,-0.2 5,-0.4 0.706 103.2 73.4 -86.7 -9.7 -4.3 18.0 37.5 165 23 B V H > S+ 0 0 0 2,-0.2 4,-3.0 3,-0.2 -1,-0.2 0.954 101.0 42.1 -62.5 -49.2 -1.0 16.6 36.8 166 24 B G H > S+ 0 0 2 -4,-0.3 4,-4.3 2,-0.2 -1,-0.2 0.918 120.6 42.2 -62.7 -47.2 -2.7 13.5 35.2 167 25 B G H X S+ 0 0 7 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.863 119.8 43.4 -66.8 -39.0 -5.3 15.6 33.4 168 26 B E H X S+ 0 0 29 -4,-3.9 4,-0.8 2,-0.2 -2,-0.2 0.822 118.5 47.3 -75.4 -31.6 -2.7 18.2 32.5 169 27 B A H X S+ 0 0 0 -4,-3.0 4,-1.3 -5,-0.4 -2,-0.2 0.964 115.8 43.5 -68.6 -52.0 -0.4 15.4 31.6 170 28 B L H >X S+ 0 0 5 -4,-4.3 3,-1.7 1,-0.2 4,-1.3 0.960 110.9 50.5 -61.3 -61.7 -2.9 13.5 29.6 171 29 B G H 3< S+ 0 0 0 -4,-2.0 4,-0.5 1,-0.3 -1,-0.2 0.756 107.6 57.4 -50.3 -31.6 -4.5 16.4 27.6 172 30 B R H >X S+ 0 0 3 -4,-0.8 4,-3.4 -3,-0.2 3,-0.6 0.853 100.0 58.0 -66.4 -37.9 -1.0 17.4 26.6 173 31 B L H < S+ 0 0 22 -4,-3.8 3,-0.9 -5,-0.3 -1,-0.3 -0.895 74.8 177.7-125.3 96.0 0.9 13.9 19.7 178 36 B P G > + 0 0 39 0, 0.0 3,-2.9 0, 0.0 4,-0.3 0.789 67.3 78.1 -72.5 -27.3 -2.7 14.0 18.4 179 37 B W G > S+ 0 0 19 1,-0.3 3,-0.5 2,-0.2 -5,-0.1 0.615 84.9 68.5 -60.9 -5.0 -2.6 10.6 16.7 180 38 B T G X S+ 0 0 7 -3,-0.9 3,-0.9 1,-0.2 -1,-0.3 0.483 77.9 76.8 -91.7 -7.6 -3.0 9.1 20.1 181 39 B Q G X + 0 0 19 -3,-2.9 3,-3.1 1,-0.2 -1,-0.2 0.693 68.1 90.0 -76.6 -16.8 -6.6 10.4 20.4 182 40 B R G < S+ 0 0 46 -3,-0.5 3,-0.3 -4,-0.3 -1,-0.2 0.667 85.4 54.8 -52.5 -17.4 -7.7 7.6 18.1 183 41 B Y G < S+ 0 0 47 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.1 0.122 108.1 52.2 -98.2 17.3 -8.2 5.6 21.4 184 42 B F X + 0 0 26 -3,-3.1 3,-2.3 1,-0.1 -2,-0.2 0.184 55.9 127.6-141.4 22.6 -10.4 8.4 22.7 185 43 B D T 3 S+ 0 0 108 -3,-0.3 3,-0.1 1,-0.3 -3,-0.1 0.398 72.1 67.8 -69.8 8.0 -13.3 9.2 20.3 186 44 B S T 3 S+ 0 0 86 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.272 82.9 70.8-106.7 2.7 -15.8 8.7 23.1 187 45 B F S < S- 0 0 27 -3,-2.3 -1,-0.2 1,-0.4 -2,-0.2 0.227 96.1-155.4 -90.3 7.0 -14.5 11.8 24.8 188 46 B G + 0 0 46 -3,-0.1 -1,-0.4 -4,-0.1 2,-0.3 -0.287 62.0 50.7 51.3-135.9 -16.2 13.5 21.9 189 47 B D + 0 0 99 1,-0.2 3,-0.2 -3,-0.1 -1,-0.1 -0.066 47.3 146.6 -41.9 92.4 -14.7 16.9 21.1 190 48 B L + 0 0 19 -2,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.292 30.8 130.1-115.1 43.3 -11.0 16.6 20.8 191 49 B S S S- 0 0 102 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.939 70.9 -5.3 -57.5 -53.7 -11.1 19.3 18.2 192 50 B S S > S- 0 0 48 -3,-0.2 4,-3.3 1,-0.0 3,-0.2 -0.899 78.5 -88.0-145.5 167.0 -8.3 21.6 19.6 193 51 B A H > S+ 0 0 27 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.822 121.7 54.9 -44.9 -44.9 -6.0 22.2 22.6 194 52 B S H > S+ 0 0 80 2,-0.2 4,-3.5 1,-0.2 -1,-0.2 0.956 114.6 35.4 -51.3 -63.2 -8.7 24.2 24.3 195 53 B A H 4 S+ 0 0 20 2,-0.2 -2,-0.2 -3,-0.2 -1,-0.2 0.910 115.3 59.4 -61.6 -42.1 -11.4 21.5 24.3 196 54 B I H < S+ 0 0 5 -4,-3.3 3,-0.3 1,-0.2 -2,-0.2 0.963 113.0 36.5 -56.0 -53.5 -8.8 18.9 24.7 197 55 B M H < S+ 0 0 40 -4,-3.2 2,-1.4 1,-0.2 -2,-0.2 0.946 118.0 54.8 -60.6 -47.9 -7.7 20.5 28.0 198 56 B G S < S+ 0 0 53 -4,-3.5 2,-0.3 -5,-0.2 -1,-0.2 -0.599 78.1 112.3 -90.3 76.4 -11.3 21.4 28.9 199 57 B N >> - 0 0 19 -2,-1.4 4,-2.5 -3,-0.3 3,-0.5 -0.936 59.0-146.9-149.5 113.8 -13.0 18.0 28.6 200 58 B A H 3> S+ 0 0 82 -2,-0.3 4,-3.3 1,-0.3 5,-0.1 0.815 100.4 50.0 -60.8 -31.4 -14.3 16.4 31.8 201 59 B K H 3> S+ 0 0 105 2,-0.2 4,-1.7 3,-0.2 -1,-0.3 0.774 108.6 51.4 -78.6 -27.9 -13.5 12.9 30.5 202 60 B V H <> S+ 0 0 0 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.954 117.2 42.3 -63.8 -47.1 -9.9 13.9 29.6 203 61 B K H X S+ 0 0 81 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.918 113.5 50.5 -60.6 -49.8 -9.8 15.2 33.1 204 62 B A H X S+ 0 0 51 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.849 112.7 45.8 -65.9 -35.6 -11.5 12.3 34.8 205 63 B H H X S+ 0 0 49 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.873 106.0 62.0 -71.4 -39.5 -9.2 9.7 33.1 206 64 B G H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 5,-0.3 0.915 104.9 45.5 -50.7 -48.9 -6.2 11.8 34.0 207 65 B K H X S+ 0 0 113 -4,-1.8 4,-3.0 1,-0.2 5,-0.3 0.962 111.9 55.7 -57.5 -46.1 -7.0 11.4 37.6 208 66 B K H X S+ 0 0 153 -4,-1.5 4,-1.2 1,-0.2 -2,-0.2 0.881 107.0 48.1 -54.4 -48.3 -7.5 7.7 36.8 209 67 B V H X S+ 0 0 35 -4,-3.0 4,-1.0 2,-0.2 3,-0.5 0.951 116.7 39.2 -57.4 -59.8 -4.0 7.3 35.2 210 68 B I H X S+ 0 0 2 -4,-1.9 4,-4.4 2,-0.3 5,-0.5 0.924 104.5 65.2 -59.9 -50.8 -2.0 8.9 38.0 211 69 B T H X S+ 0 0 83 -4,-3.0 4,-0.9 1,-0.3 -1,-0.2 0.860 116.8 33.1 -42.2 -39.3 -4.0 7.5 40.9 212 70 B A H X S+ 0 0 20 -4,-1.2 4,-0.9 -3,-0.5 -1,-0.3 0.618 113.0 60.8 -87.2 -20.2 -2.6 4.2 39.4 213 71 B F H X S+ 0 0 12 -4,-1.0 4,-0.5 2,-0.2 -2,-0.3 0.734 107.8 46.8 -71.9 -23.2 0.6 6.2 38.4 214 72 B N H >X S+ 0 0 58 -4,-4.4 4,-2.3 2,-0.2 3,-0.6 0.826 98.0 69.2 -82.2 -37.1 0.8 6.8 42.2 215 73 B D H 3< S+ 0 0 77 -4,-0.9 -2,-0.2 -5,-0.5 -1,-0.2 0.829 103.0 46.5 -46.6 -38.1 0.1 3.1 42.9 216 74 B G H >< S+ 0 0 7 -4,-0.9 3,-0.7 1,-0.2 -1,-0.3 0.761 103.7 59.7 -77.4 -30.2 3.6 2.5 41.4 217 75 B L H X< S+ 0 0 12 -3,-0.6 2,-0.7 -4,-0.5 3,-0.5 0.864 110.2 45.5 -66.0 -38.5 5.2 5.3 43.4 218 76 B N T 3< S+ 0 0 103 -4,-2.3 -1,-0.3 1,-0.2 -4,-0.1 -0.643 121.3 36.8 -98.4 69.8 4.1 3.3 46.4 219 77 B H T X S+ 0 0 100 -3,-0.7 3,-0.7 -2,-0.7 -2,-0.2 0.226 72.2 154.5 168.7 12.1 5.2 -0.1 45.1 220 78 B L G X S+ 0 0 24 -3,-0.5 3,-0.8 1,-0.3 -2,-0.1 0.675 76.6 33.8 -36.4 -52.9 8.5 0.9 43.3 221 79 B D G 3 S+ 0 0 119 1,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.909 115.8 57.1 -71.7 -42.8 10.3 -2.5 43.4 222 80 B S G <> S+ 0 0 42 -3,-0.7 4,-0.7 1,-0.2 -1,-0.3 0.001 71.9 142.4 -74.8 28.5 7.1 -4.5 43.1 223 81 B L T <4 + 0 0 46 -3,-0.8 4,-0.3 -2,-0.4 -1,-0.2 0.475 53.1 65.5 -58.5 -4.1 6.6 -2.5 39.9 224 82 B K T >4 S+ 0 0 134 -3,-0.2 3,-1.4 -5,-0.1 -1,-0.2 0.964 92.1 41.0 -82.2 -81.7 5.1 -5.6 38.1 225 83 B G G >4 S+ 0 0 48 1,-0.3 3,-3.0 2,-0.2 4,-0.4 0.687 98.5 74.3 -51.7 -32.4 1.8 -7.0 39.3 226 84 B T G 3< S+ 0 0 38 -4,-0.7 3,-0.4 1,-0.3 -1,-0.3 0.940 108.7 34.6 -36.2 -60.7 0.1 -3.6 39.9 227 85 B F G <> S+ 0 0 5 -3,-1.4 4,-1.3 -4,-0.3 -1,-0.3 0.137 84.2 118.2 -84.3 17.6 -0.2 -3.3 36.2 228 86 B A T X4 S+ 0 0 47 -3,-3.0 3,-0.6 2,-0.2 2,-0.2 0.965 89.2 28.7 -52.0 -64.4 -0.7 -7.1 35.8 229 87 B S T 34 S+ 0 0 81 -4,-0.4 0, 0.0 -3,-0.4 0, 0.0 -0.581 116.9 53.8 -76.1 155.9 -4.1 -6.2 34.4 230 88 B L T 3> S+ 0 0 54 -2,-0.2 4,-0.6 1,-0.0 -1,-0.2 0.065 99.3 61.8 92.6 -25.0 -3.7 -2.8 32.7 231 89 B S T << S+ 0 0 3 -4,-1.3 -2,-0.2 -3,-0.6 -3,-0.1 0.485 106.5 55.8 -83.4 -18.1 -0.8 -3.9 30.6 232 90 B E T >>S+ 0 0 81 -5,-0.3 4,-2.3 -4,-0.2 5,-0.7 0.937 108.8 38.2 -83.2 -54.7 -3.6 -6.1 29.5 233 91 B L H >>S+ 0 0 87 1,-0.2 2,-2.8 3,-0.2 5,-1.8 0.976 111.1 62.0 -56.4 -57.1 -6.2 -3.5 28.5 234 92 B H H <5S+ 0 0 44 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.0 -0.345 123.7 14.3 -74.8 62.8 -3.5 -1.2 27.1 235 93 B C H 45S+ 0 0 26 -2,-2.8 -1,-0.2 -3,-0.3 -2,-0.2 -0.012 133.4 39.3 164.5 -32.0 -2.4 -3.7 24.4 236 94 B D H <5S+ 0 0 78 -4,-2.3 -3,-0.2 -3,-0.2 -2,-0.1 0.770 127.1 21.3-109.9 -37.0 -5.2 -6.4 24.2 237 95 B K T < - 0 0 9 1,-0.1 3,-2.2 -2,-0.1 4,-0.2 -0.832 17.7-141.4 -90.5 121.9 1.3 1.0 21.1 242 100 B P T >> S+ 0 0 17 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.561 97.2 70.5 -63.5 -16.4 3.7 0.6 24.1 243 101 B E H >> S+ 0 0 65 1,-0.2 4,-1.7 2,-0.2 3,-1.1 0.863 90.3 64.9 -63.9 -32.1 6.0 3.4 22.8 244 102 B N H <> S+ 0 0 10 -3,-2.2 4,-1.7 1,-0.3 -1,-0.2 0.664 87.3 67.4 -70.6 -12.9 3.1 5.6 23.8 245 103 B F H <> S+ 0 0 19 -3,-0.9 4,-1.2 2,-0.2 -1,-0.3 0.875 104.3 44.1 -69.3 -38.0 3.7 4.6 27.5 246 104 B R H 4 S+ 0 0 30 -3,-0.2 3,-2.2 -5,-0.1 -1,-0.2 0.450 78.0 178.4-132.8 -23.6 7.3 22.9 40.5 261 119 B G G >< S+ 0 0 10 -4,-1.1 3,-1.7 1,-0.3 -149,-0.2 -0.217 75.8 16.2 49.8-115.0 9.4 25.2 38.4 262 120 B K G 3 S+ 0 0 159 1,-0.3 -1,-0.3 -151,-0.2 -150,-0.1 0.573 117.7 70.0 -64.9 -9.9 12.7 25.7 40.2 263 121 B D G < S+ 0 0 106 -3,-2.2 2,-1.1 -152,-0.1 -1,-0.3 0.534 75.1 90.5 -87.9 -3.2 12.2 22.7 42.5 264 122 B F < - 0 0 3 -3,-1.7 -1,-0.1 -7,-0.2 -153,-0.0 -0.815 67.3-166.1 -93.7 97.7 12.6 20.2 39.7 265 123 B T > - 0 0 74 -2,-1.1 4,-3.1 1,-0.1 5,-0.2 -0.504 35.2-116.5 -75.6 152.4 16.4 19.6 39.9 266 124 B P H > S+ 0 0 10 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.909 126.1 47.5 -52.3 -37.4 18.1 17.9 37.0 267 125 B A H > S+ 0 0 61 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.981 111.1 45.9 -64.4 -57.7 18.7 15.4 39.7 268 126 B A H > S+ 0 0 7 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.836 114.4 52.7 -53.6 -32.5 15.0 15.4 41.0 269 127 B Q H X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 -1,-0.3 0.903 105.3 51.8 -67.4 -43.6 14.1 15.1 37.4 270 128 B A H X S+ 0 0 7 -4,-2.0 4,-1.2 -3,-0.3 -2,-0.2 0.750 103.3 60.6 -68.6 -23.8 16.3 12.1 36.9 271 129 B A H >X S+ 0 0 3 -4,-1.8 4,-1.4 1,-0.2 3,-0.5 0.977 109.2 41.4 -62.1 -56.1 14.6 10.5 39.9 272 130 B F H 3X S+ 0 0 1 -4,-1.5 4,-3.7 1,-0.2 5,-0.2 0.760 103.9 67.1 -63.1 -31.2 11.3 10.6 38.1 273 131 B Q H 3X S+ 0 0 16 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.902 106.4 41.0 -60.9 -39.4 12.8 9.6 34.8 274 132 B K H S+ 0 0 155 -2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.167 119.7 84.1 -88.5 11.2 24.0 7.3 -6.3 295 6 C D H > S+ 0 0 23 2,-0.2 4,-2.6 1,-0.1 -1,-0.2 0.872 83.6 53.9 -83.2 -39.6 21.3 6.1 -3.9 296 7 C K H > S+ 0 0 44 -3,-0.2 4,-2.9 1,-0.2 5,-0.3 0.866 103.5 58.8 -59.1 -40.0 18.4 6.5 -6.5 297 8 C S H > S+ 0 0 69 -4,-0.3 4,-4.0 2,-0.2 -1,-0.2 0.933 111.1 39.8 -53.7 -52.0 20.4 4.3 -8.9 298 9 C N H X>S+ 0 0 39 -4,-1.0 4,-4.7 2,-0.2 5,-0.5 0.910 113.0 54.4 -67.5 -46.6 20.5 1.4 -6.4 299 10 C I H X5S+ 0 0 0 -4,-2.6 4,-3.5 2,-0.2 5,-0.2 0.973 118.8 35.4 -46.7 -62.6 16.9 1.9 -5.3 300 11 C K H X5S+ 0 0 113 -4,-2.9 4,-0.9 2,-0.2 -2,-0.2 0.950 118.9 52.6 -56.8 -51.8 15.8 1.7 -8.9 301 12 C A H >X5S+ 0 0 58 -4,-4.0 3,-0.8 -5,-0.3 4,-0.7 0.934 118.5 34.8 -48.8 -58.5 18.5 -0.9 -9.6 302 13 C A H >X5S+ 0 0 5 -4,-4.7 4,-0.8 1,-0.3 3,-0.5 0.843 115.2 54.9 -68.4 -38.4 17.4 -3.2 -6.8 303 14 C W H 3X< + 0 0 11 -4,-0.8 3,-1.8 1,-0.1 -1,-0.2 0.843 66.7 138.5 -53.5 -56.9 11.3 -7.1 -8.3 307 18 C G G >< S+ 0 0 53 -4,-0.9 3,-2.8 1,-0.3 4,-0.2 -0.080 78.2 2.9 48.4-133.3 9.0 -6.2 -11.2 308 19 C G G 3 S+ 0 0 77 1,-0.3 3,-0.4 2,-0.1 4,-0.4 0.710 125.3 69.4 -56.3 -23.6 5.7 -8.1 -11.4 309 20 C H G <> S+ 0 0 101 -3,-1.8 4,-1.2 -4,-0.2 -1,-0.3 0.620 77.0 92.7 -68.5 -13.2 6.6 -9.8 -8.2 310 21 C G H X> S+ 0 0 18 -3,-2.8 4,-1.1 1,-0.2 3,-0.8 0.893 78.2 49.9 -46.8 -60.6 6.1 -6.4 -6.5 311 22 C A H 3> S+ 0 0 34 -3,-0.4 4,-1.4 1,-0.2 41,-0.3 0.875 107.7 55.0 -48.8 -47.1 2.5 -6.6 -5.4 312 23 C E H 3> S+ 0 0 93 -4,-0.4 4,-1.6 -3,-0.3 -1,-0.2 0.786 100.2 60.2 -63.3 -35.9 2.9 -10.0 -3.7 313 24 C Y H XX S+ 0 0 11 -4,-1.2 4,-2.7 -3,-0.8 3,-1.0 0.988 102.0 49.0 -56.6 -65.0 5.7 -8.9 -1.5 314 25 C G H 3X S+ 0 0 3 -4,-1.1 4,-3.0 1,-0.3 5,-0.2 0.890 106.9 60.7 -41.3 -47.6 3.8 -6.2 0.4 315 26 C A H 3X S+ 0 0 12 -4,-1.4 4,-1.3 1,-0.2 -1,-0.3 0.898 110.8 36.4 -51.5 -49.5 1.1 -8.7 0.9 316 27 C E H < S- 0 0 41 -4,-5.1 3,-1.0 -5,-0.3 4,-0.4 -0.868 70.4-177.5-126.1 93.3 3.8 -6.8 15.7 326 37 C P G > S+ 0 0 64 0, 0.0 3,-2.4 0, 0.0 4,-0.3 0.905 76.3 63.2 -56.5 -49.2 0.3 -7.9 16.6 327 38 C T G > S+ 0 0 15 1,-0.3 3,-0.9 2,-0.2 -5,-0.1 0.660 89.1 72.4 -57.6 -16.0 -1.2 -4.6 17.6 328 39 C T G X S+ 0 0 4 -3,-1.0 3,-1.6 1,-0.2 -1,-0.3 0.838 83.9 70.3 -65.3 -33.8 -0.6 -3.4 14.0 329 40 C K G X S+ 0 0 91 -3,-2.4 3,-3.2 -4,-0.4 -1,-0.2 0.776 80.2 73.8 -45.8 -39.8 -3.5 -5.7 13.1 330 41 C T G < S+ 0 0 32 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.1 0.478 82.7 67.8 -70.4 3.1 -6.0 -3.4 14.7 331 42 C Y G < S+ 0 0 40 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.500 104.5 47.1 -89.6 -4.7 -5.5 -1.0 11.9 332 43 C F < + 0 0 33 -3,-3.2 -1,-0.2 1,-0.1 -2,-0.1 -0.610 61.6 148.0-136.3 67.7 -7.3 -3.6 9.8 333 44 C P S S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.814 79.1 48.9 -69.3 -33.9 -10.4 -4.8 11.8 334 45 C H S S+ 0 0 130 -3,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.801 94.4 89.0 -78.2 -36.3 -12.3 -5.4 8.6 335 46 C F S S- 0 0 32 -6,-0.1 2,-0.5 8,-0.1 -3,-0.1 -0.345 77.8-128.4 -58.5 141.4 -9.5 -7.5 6.9 336 47 C D - 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0 0 19 -2,-1.1 4,-2.5 -3,-0.6 3,-0.4 -0.960 54.7-153.1-134.4 111.4 36.8 -6.6 7.4 489 58 D A H > S+ 0 0 78 -2,-0.4 4,-0.8 1,-0.2 -4,-0.0 0.483 94.8 58.3 -73.2 -0.8 38.1 -9.5 9.4 490 59 D K H > S+ 0 0 114 -14,-0.2 4,-4.0 2,-0.2 5,-0.3 0.829 108.2 44.2 -82.5 -47.0 37.5 -7.6 12.7 491 60 D V H > S+ 0 0 1 -3,-0.4 4,-1.3 2,-0.2 -2,-0.2 0.961 117.5 46.5 -61.3 -47.6 33.8 -7.3 11.9 492 61 D K H X S+ 0 0 148 -4,-2.5 4,-0.9 1,-0.2 -36,-0.2 0.896 114.7 48.7 -58.7 -43.5 33.9 -10.9 10.9 493 62 D A H >X S+ 0 0 51 -4,-0.8 4,-0.8 1,-0.2 3,-0.5 0.915 111.8 46.2 -60.9 -50.5 35.9 -11.7 14.1 494 63 D H H 3X S+ 0 0 56 -4,-4.0 4,-2.0 1,-0.2 5,-0.3 0.710 98.6 77.3 -68.2 -17.3 33.5 -9.8 16.3 495 64 D G H 3X S+ 0 0 0 -4,-1.3 4,-1.3 -5,-0.3 -1,-0.2 0.940 94.2 45.5 -54.4 -52.6 30.7 -11.6 14.5 496 65 D K H 4 S+ 0 0 60 1,-0.2 2,-4.8 2,-0.1 3,-1.1 0.913 74.2 128.6 -43.6 -64.0 17.3 -16.6 32.3 512 81 D L T 3< + 0 0 3 -4,-2.2 4,-0.2 1,-0.3 -1,-0.2 0.099 65.5 49.8 33.6 -24.6 18.2 -14.0 29.7 513 82 D K T 3 S+ 0 0 101 -2,-4.8 -1,-0.3 -3,-0.3 61,-0.1 0.739 111.5 45.4-102.6 -34.3 18.5 -11.0 32.0 514 83 D G S < S+ 0 0 63 -3,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.219 112.7 52.5 -91.2 13.3 20.9 -12.5 34.5 515 84 D T S S+ 0 0 39 -4,-0.1 3,-0.4 2,-0.1 -1,-0.2 0.663 106.1 48.0-119.3 -30.4 23.1 -14.0 31.9 516 85 D F S > S+ 0 0 5 -4,-0.2 4,-1.4 1,-0.2 -2,-0.1 0.001 83.5 112.5 -84.6 18.9 23.8 -11.0 29.7 517 86 D A H > S+ 0 0 33 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.905 73.1 47.9 -56.8 -43.3 24.5 -9.4 33.1 518 87 D S H > S+ 0 0 82 -3,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.836 111.8 45.8 -73.1 -41.2 28.3 -9.0 32.3 519 88 D L H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.718 104.7 66.0 -72.4 -27.2 28.0 -7.6 28.8 520 89 D S H < S+ 0 0 1 -4,-1.4 -2,-0.2 2,-0.2 5,-0.2 0.927 104.8 40.2 -64.0 -49.9 25.4 -5.1 30.0 521 90 D E H >X S+ 0 0 99 -4,-1.2 4,-2.5 1,-0.2 3,-0.9 0.841 118.2 52.2 -62.4 -33.6 27.7 -3.2 32.4 522 91 D L H 3< S+ 0 0 54 -4,-1.0 5,-0.2 1,-0.2 -2,-0.2 0.781 107.5 49.7 -74.0 -30.0 30.3 -3.5 29.6 523 92 D H T 3< S+ 0 0 38 -4,-2.0 6,-0.3 49,-0.2 -1,-0.2 0.209 123.6 32.9 -89.3 14.2 28.0 -2.1 26.9 524 93 D C T <4 S+ 0 0 9 -3,-0.9 2,-0.6 4,-0.2 4,-0.2 0.578 121.0 38.0-131.9 -67.1 27.2 0.8 29.2 525 94 D D S < S+ 0 0 94 -4,-2.5 -2,-0.1 1,-0.2 -3,-0.1 -0.330 131.5 15.6-100.4 46.5 30.2 1.8 31.3 526 95 D K S S+ 0 0 145 -2,-0.6 -1,-0.2 -4,-0.1 -3,-0.1 0.307 133.3 34.8 172.6 -11.5 33.1 1.2 28.9 527 96 D L S S- 0 0 67 -5,-0.2 -4,-0.2 2,-0.1 -2,-0.1 0.505 88.3-148.8-120.0 -29.3 31.8 1.0 25.3 528 97 D H + 0 0 80 -6,-0.2 -4,-0.2 -4,-0.2 -487,-0.1 0.610 26.5 177.0 75.5 22.2 29.0 3.5 26.0 529 98 D V - 0 0 11 -6,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.068 33.5-118.2 -56.4 149.6 26.5 2.1 23.6 530 99 D D > - 0 0 11 1,-0.1 3,-2.2 -492,-0.0 4,-0.2 -0.881 23.4-128.0 -94.3 121.3 23.0 3.6 23.4 531 100 D P T >> S+ 0 0 38 0, 0.0 3,-0.5 0, 0.0 4,-0.5 0.509 100.2 71.5 -40.7 -20.1 20.5 0.9 24.4 532 101 D E H >> S+ 0 0 73 1,-0.2 4,-1.0 2,-0.2 3,-0.5 0.800 85.9 64.6 -74.9 -27.8 18.4 1.4 21.2 533 102 D N H <> S+ 0 0 10 -3,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.557 87.1 68.8 -74.5 -13.1 21.0 -0.2 18.9 534 103 D F H <> S+ 0 0 19 -3,-0.5 4,-3.5 -4,-0.2 -1,-0.2 0.926 104.7 43.5 -63.0 -45.8 20.6 -3.6 20.5 535 104 D R H X S+ 0 0 31 -4,-2.3 4,-2.1 2,-0.2 3,-0.8 0.949 110.7 56.6 -67.1 -52.9 21.3 -5.2 15.7 538 107 D G H 3X S+ 0 0 4 -4,-3.5 4,-2.2 1,-0.3 3,-0.4 0.911 104.6 52.3 -42.3 -51.2 18.5 -7.6 16.6 539 108 D N H 3X S+ 0 0 29 -4,-2.4 4,-3.0 1,-0.3 -1,-0.3 0.877 107.2 52.6 -57.0 -38.0 16.7 -6.5 13.5 540 109 D M H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 3,-1.4 0.866 103.9 64.0 -74.7 -34.7 19.9 -11.8 7.9 545 114 D L H 3< S+ 0 0 1 -4,-2.2 4,-0.3 1,-0.3 -1,-0.2 0.729 109.9 38.4 -61.9 -27.2 18.2 -14.9 9.3 546 115 D G T 3X S+ 0 0 0 -4,-1.2 4,-0.9 -3,-0.2 -1,-0.3 0.275 107.4 65.0-104.6 4.1 15.7 -15.0 6.4 547 116 D H T <4 S+ 0 0 31 -3,-1.4 -2,-0.2 -5,-0.2 -3,-0.1 0.810 110.4 39.1 -82.4 -44.2 18.5 -13.9 4.0 548 117 D H T < S+ 0 0 65 -4,-2.3 -2,-0.2 1,-0.1 -3,-0.1 0.753 129.4 32.1 -65.0 -32.6 20.1 -17.2 4.8 549 118 D L T >4 S+ 0 0 19 -4,-0.3 3,-1.5 -5,-0.2 4,-0.4 0.513 72.5 177.7-116.6 -8.0 16.7 -19.1 4.8 550 119 D G G >< S+ 0 0 8 -4,-0.9 3,-0.6 -151,-0.3 -1,-0.2 -0.124 78.5 7.7 45.6-104.1 14.4 -17.5 2.3 551 120 D K G 3 S+ 0 0 158 1,-0.2 -1,-0.3 -151,-0.2 -2,-0.1 0.855 114.9 72.7 -82.5 -39.7 11.3 -19.6 2.4 552 121 D D G < S+ 0 0 91 -3,-1.5 2,-0.4 5,-0.0 -1,-0.2 0.709 94.1 75.3 -42.3 -21.7 11.9 -21.9 5.4 553 122 D F < + 0 0 1 -3,-0.6 3,-0.1 -4,-0.4 -7,-0.0 -0.836 64.2 165.7-102.5 127.9 11.3 -18.6 7.4 554 123 D T >> - 0 0 69 -2,-0.4 4,-4.3 1,-0.1 3,-2.6 -0.981 51.9 -95.0-143.6 156.5 7.7 -17.4 7.7 555 124 D P H 3>>S+ 0 0 6 0, 0.0 4,-2.3 0, 0.0 5,-0.6 0.819 125.9 51.7 -36.1 -54.3 5.9 -14.8 9.8 556 125 D A H 345S+ 0 0 48 1,-0.2 4,-0.2 2,-0.2 -3,-0.0 0.815 124.5 30.2 -54.8 -32.7 4.8 -17.5 12.4 557 126 D A H <>5S+ 0 0 8 -3,-2.6 4,-0.8 2,-0.1 -1,-0.2 0.710 117.6 58.4 -95.1 -30.4 8.6 -18.4 12.5 558 127 D Q H >X5S+ 0 0 0 -4,-4.3 3,-1.8 2,-0.2 4,-1.1 0.995 112.3 37.5 -61.1 -64.8 9.9 -14.9 11.8 559 128 D A H 3X5S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.3 5,-0.2 0.767 104.0 72.5 -60.0 -30.4 8.3 -13.2 14.7 560 129 D A H 34 S+ 0 0 22 -3,-0.6 4,-0.8 -4,-0.4 -2,-0.2 0.831 112.9 46.7 -79.2 -40.1 13.8 -13.5 21.3 565 134 D V H >X S+ 0 0 5 -4,-2.4 3,-2.4 2,-0.2 4,-1.8 0.991 114.1 49.0 -57.2 -59.5 15.8 -10.7 19.6 566 135 D A H 3X S+ 0 0 39 -4,-3.0 4,-0.8 1,-0.3 -2,-0.2 0.661 108.6 55.7 -59.2 -20.3 13.7 -8.1 21.4 567 136 D G H 3< S+ 0 0 8 -4,-0.6 -1,-0.3 -5,-0.4 -2,-0.2 0.667 105.4 51.2 -81.2 -24.0 14.3 -10.1 24.6 568 137 D V H XX S+ 0 0 18 -3,-2.4 4,-1.8 -4,-0.8 3,-1.5 0.868 106.4 53.3 -77.4 -39.8 18.1 -9.8 24.1 569 138 D A H 3< S+ 0 0 4 -4,-1.8 4,-0.4 1,-0.3 -2,-0.2 0.855 109.6 49.9 -60.7 -36.7 17.9 -6.0 23.6 570 139 D T T 3< S+ 0 0 87 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.253 109.9 52.3 -82.8 6.3 16.0 -5.8 27.0 571 140 D A T <4 S+ 0 0 1 -3,-1.5 3,-0.5 2,-0.1 -2,-0.2 0.689 107.8 46.5-116.2 -30.5 18.6 -7.9 28.7 572 141 D L S < S+ 0 0 21 -4,-1.8 -2,-0.2 1,-0.2 3,-0.2 0.523 112.2 54.4 -84.0 -8.8 21.7 -5.9 27.7 573 142 D A S S+ 0 0 19 -4,-0.4 3,-0.2 -5,-0.2 -1,-0.2 0.252 79.3 90.2-113.3 14.0 20.1 -2.7 28.6 574 143 D H S > S+ 0 0 94 -3,-0.5 3,-0.5 1,-0.2 -1,-0.1 0.769 87.7 48.5 -77.1 -29.8 19.0 -3.4 32.2 575 144 D K T 3 S+ 0 0 93 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.502 78.8 99.4 -91.0 -4.5 22.2 -2.1 33.9 576 145 D Y T 3 0 0 24 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.689 360.0 360.0 -54.2 -20.6 22.2 1.2 31.9 577 146 D H < 0 0 120 -3,-0.5 -433,-0.2 -4,-0.1 -1,-0.2 -0.964 360.0 360.0-119.1 360.0 20.7 2.7 35.0