==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 06-MAY-92 1DXT . COMPND 2 MOLECULE: HEMOGLOBIN (DEOXY) (ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.KAVANAUGH,A.ARNONE . 576 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25213.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 444 77.1 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 . 82 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 338 58.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 0 2 0 0 2 0 2 0 0 4 4 0 3 4 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 0 141 0, 0.0 2,-0.4 0, 0.0 127,-0.0 0.000 360.0 360.0 360.0 132.5 7.4 18.8 3.7 2 2 A L - 0 0 15 71,-0.2 122,-0.0 125,-0.1 0, 0.0 -0.702 360.0-141.7 -81.0 129.5 11.0 18.9 2.7 3 3 A S > - 0 0 44 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.355 27.7-103.5 -80.9 169.2 13.1 20.7 5.3 4 4 A P H > S+ 0 0 103 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.892 125.9 53.9 -61.7 -36.6 15.9 23.0 4.3 5 5 A A H > S+ 0 0 60 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.958 106.2 52.4 -64.0 -43.9 18.3 20.3 5.3 6 6 A D H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 107.9 51.6 -53.0 -48.2 16.5 17.8 3.1 7 7 A K H X S+ 0 0 51 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.885 110.0 49.0 -59.3 -38.9 16.8 20.2 0.2 8 8 A T H X S+ 0 0 98 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.915 110.7 50.4 -65.4 -43.1 20.5 20.5 0.8 9 9 A N H X S+ 0 0 40 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.886 112.0 47.2 -59.6 -46.6 20.9 16.7 0.9 10 10 A V H X S+ 0 0 1 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.910 111.8 48.5 -62.9 -48.2 19.1 16.2 -2.3 11 11 A K H X S+ 0 0 92 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.867 112.9 50.2 -64.1 -33.3 20.9 18.9 -4.3 12 12 A A H X S+ 0 0 62 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.967 114.9 41.6 -69.3 -51.2 24.2 17.4 -3.0 13 13 A A H X S+ 0 0 3 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.905 117.2 46.8 -63.7 -42.4 23.4 13.9 -4.0 14 14 A W H X S+ 0 0 25 -4,-3.2 4,-2.3 2,-0.2 -1,-0.2 0.872 106.8 58.8 -67.9 -34.9 21.8 14.8 -7.3 15 15 A G H < S+ 0 0 55 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.957 105.7 49.6 -57.4 -49.3 24.8 17.0 -8.1 16 16 A K H < S+ 0 0 112 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.801 104.7 57.8 -58.8 -34.2 27.0 14.0 -7.7 17 17 A V H >< S+ 0 0 1 -4,-1.3 3,-2.1 1,-0.2 -1,-0.2 0.956 81.3 142.3 -60.1 -49.8 24.8 12.0 -10.1 18 18 A G G >< + 0 0 43 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 -0.269 68.1 5.9 54.9-118.7 25.4 14.6 -12.6 19 19 A A G 3 S+ 0 0 105 1,-0.3 3,-0.3 -3,-0.2 -1,-0.3 0.440 122.3 66.8 -79.3 -7.2 25.8 13.4 -16.1 20 20 A H G <> + 0 0 85 -3,-2.1 4,-2.7 1,-0.2 3,-0.3 0.316 66.7 107.3 -92.9 0.5 24.9 9.8 -15.3 21 21 A A H <> S+ 0 0 7 -3,-1.1 4,-2.7 1,-0.2 -1,-0.2 0.892 80.7 47.4 -44.6 -49.7 21.3 10.7 -14.5 22 22 A G H > S+ 0 0 20 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.855 111.7 47.2 -62.6 -41.4 20.0 9.1 -17.7 23 23 A E H > S+ 0 0 110 -3,-0.3 4,-1.8 -4,-0.2 -1,-0.2 0.890 115.0 48.8 -71.1 -34.0 22.0 5.9 -17.3 24 24 A Y H X S+ 0 0 19 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.895 107.4 53.9 -69.6 -40.9 20.8 5.7 -13.7 25 25 A G H X S+ 0 0 3 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.903 110.7 48.2 -60.7 -41.6 17.1 6.4 -14.7 26 26 A A H X S+ 0 0 14 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.860 110.9 49.2 -65.2 -39.2 17.4 3.4 -17.1 27 27 A E H X S+ 0 0 33 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.922 108.1 54.1 -68.2 -39.7 18.9 1.1 -14.5 28 28 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.904 109.1 49.5 -61.0 -41.3 16.2 2.0 -12.0 29 29 A L H X S+ 0 0 3 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.926 110.9 48.3 -63.3 -46.9 13.5 1.1 -14.7 30 30 A E H X S+ 0 0 44 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.901 111.0 51.8 -58.7 -39.5 15.2 -2.3 -15.3 31 31 A R H X S+ 0 0 4 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.927 111.3 47.7 -62.2 -43.7 15.4 -2.9 -11.6 32 32 A M H X S+ 0 0 9 -4,-2.3 4,-2.9 1,-0.2 7,-0.3 0.911 110.2 50.6 -62.3 -47.7 11.6 -2.1 -11.3 33 33 A F H < S+ 0 0 15 -4,-2.7 -1,-0.2 1,-0.2 7,-0.2 0.809 116.6 42.3 -59.9 -35.1 10.6 -4.4 -14.2 34 34 A L H < S+ 0 0 74 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.888 121.9 36.3 -81.2 -45.0 12.6 -7.3 -12.8 35 35 A S H < S+ 0 0 17 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.789 129.5 30.5 -78.1 -33.5 11.6 -6.9 -9.1 36 36 A F >< + 0 0 40 -4,-2.9 3,-2.4 -5,-0.2 4,-0.3 -0.697 67.7 177.8-129.8 76.1 8.0 -5.8 -9.6 37 37 A P G > S+ 0 0 46 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.702 72.8 73.8 -57.3 -23.5 6.8 -7.4 -12.8 38 38 A T G > S+ 0 0 36 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.785 85.1 68.0 -63.8 -21.2 3.3 -6.0 -12.5 39 39 A T G X S+ 0 0 2 -3,-2.4 3,-1.6 -7,-0.3 -1,-0.3 0.773 82.7 73.2 -72.4 -18.7 4.8 -2.6 -13.5 40 40 A K G X S+ 0 0 65 -3,-1.8 3,-2.2 1,-0.3 -1,-0.3 0.737 75.6 82.1 -66.6 -18.7 5.4 -4.1 -16.9 41 41 A T G < S+ 0 0 9 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.717 89.0 52.5 -58.6 -21.1 1.6 -3.8 -17.4 42 42 A Y G < S+ 0 0 20 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.481 107.8 51.9 -91.1 -7.6 2.2 -0.1 -18.3 43 43 A F X + 0 0 33 -3,-2.2 3,-1.4 -4,-0.2 -1,-0.2 -0.284 57.9 131.4-123.3 45.6 4.8 -0.8 -21.0 44 44 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.775 76.2 57.5 -69.6 -18.7 3.3 -3.4 -23.3 45 45 A H T 3 S+ 0 0 125 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.358 94.7 87.9 -91.0 4.0 4.3 -1.2 -26.3 46 46 A F S < S- 0 0 45 -3,-1.4 2,-0.8 8,-0.0 -3,-0.1 -0.821 79.3-124.7-108.1 152.9 8.0 -1.3 -25.3 47 47 A D - 0 0 83 -2,-0.3 8,-0.4 1,-0.1 7,-0.2 -0.863 31.5-174.2 -86.8 108.5 10.9 -3.6 -26.0 48 48 A L + 0 0 51 -2,-0.8 -1,-0.1 6,-0.1 3,-0.1 0.164 34.4 131.7 -94.4 13.9 11.8 -4.2 -22.4 49 49 A S S > S- 0 0 59 1,-0.1 3,-2.3 2,-0.1 6,-0.2 -0.324 75.3 -81.0 -68.0 147.1 14.9 -6.2 -23.2 50 50 A H T 3 S+ 0 0 146 1,-0.3 -1,-0.1 5,-0.1 -2,-0.1 -0.307 115.1 7.9 -50.4 123.3 18.0 -5.2 -21.3 51 51 A G T 3 S+ 0 0 33 1,-0.2 -1,-0.3 -25,-0.1 -2,-0.1 0.477 86.3 160.8 80.2 12.0 19.6 -2.1 -22.9 52 52 A S <> - 0 0 10 -3,-2.3 4,-2.4 1,-0.1 -1,-0.2 -0.235 49.4-122.6 -60.3 149.6 16.8 -1.4 -25.4 53 53 A A H > S+ 0 0 85 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.845 110.7 59.1 -62.4 -33.4 16.7 2.1 -26.8 54 54 A Q H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.904 109.1 41.5 -62.9 -46.7 13.2 2.6 -25.6 55 55 A V H > S+ 0 0 10 -8,-0.4 4,-3.1 -6,-0.2 5,-0.2 0.883 115.9 50.1 -68.0 -43.3 14.2 1.9 -21.9 56 56 A K H X S+ 0 0 124 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.938 113.4 46.0 -62.4 -45.5 17.3 4.0 -22.3 57 57 A G H X S+ 0 0 28 -4,-3.3 4,-2.0 2,-0.2 -2,-0.2 0.931 115.4 46.5 -61.2 -46.1 15.3 6.9 -23.8 58 58 A H H X S+ 0 0 51 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.927 108.8 54.8 -61.7 -43.8 12.6 6.6 -21.1 59 59 A G H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.872 108.1 51.3 -57.4 -38.3 15.2 6.4 -18.3 60 60 A K H X S+ 0 0 122 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.904 109.1 48.4 -65.7 -45.5 16.7 9.7 -19.7 61 61 A K H X S+ 0 0 148 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.894 111.8 50.5 -66.1 -39.2 13.3 11.5 -19.7 62 62 A V H X S+ 0 0 26 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.933 111.9 47.2 -62.2 -47.0 12.6 10.3 -16.1 63 63 A A H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.848 110.0 53.1 -61.1 -42.2 16.1 11.6 -14.9 64 64 A D H X S+ 0 0 97 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.911 108.5 49.8 -60.3 -45.8 15.5 14.9 -16.7 65 65 A A H X S+ 0 0 21 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.885 111.0 50.0 -60.6 -41.2 12.2 15.4 -14.9 66 66 A L H X S+ 0 0 13 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.900 109.9 50.3 -63.8 -42.6 13.9 14.6 -11.6 67 67 A T H X S+ 0 0 58 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.915 109.0 51.8 -60.7 -43.0 16.7 17.1 -12.3 68 68 A N H X S+ 0 0 57 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.914 110.1 50.0 -58.6 -46.0 14.0 19.7 -13.1 69 69 A A H < S+ 0 0 0 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.878 110.0 48.8 -63.6 -39.8 12.4 18.9 -9.7 70 70 A V H >< S+ 0 0 10 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.912 110.2 52.4 -64.3 -42.7 15.7 19.2 -7.8 71 71 A A H 3< S+ 0 0 60 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.808 121.1 33.0 -59.5 -33.6 16.3 22.6 -9.6 72 72 A H T >< S+ 0 0 89 -4,-1.5 3,-1.5 -5,-0.2 -1,-0.3 -0.264 73.1 141.6-120.2 43.2 12.8 23.7 -8.5 73 73 A V T < S+ 0 0 11 -3,-1.3 3,-0.5 1,-0.3 -71,-0.2 0.686 72.9 54.6 -59.6 -24.1 12.5 22.0 -5.1 74 74 A D T 3 S+ 0 0 122 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.647 120.1 31.4 -82.6 -18.6 10.7 25.0 -3.6 75 75 A D S <> S+ 0 0 80 -3,-1.5 4,-2.4 -6,-0.2 3,-0.3 -0.355 70.6 145.5-134.8 50.5 8.1 25.0 -6.4 76 76 A M H > + 0 0 11 -3,-0.5 4,-2.8 1,-0.2 5,-0.2 0.891 68.3 60.1 -58.5 -46.2 7.6 21.4 -7.5 77 77 A P H 4 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 7,-0.2 0.904 113.2 38.3 -49.4 -46.9 3.8 21.6 -8.2 78 78 A N H >4 S+ 0 0 106 -3,-0.3 3,-1.3 1,-0.2 4,-0.3 0.922 114.4 53.7 -73.7 -43.4 4.5 24.3 -10.8 79 79 A A H 3< S+ 0 0 30 -4,-2.4 3,-0.2 1,-0.3 -1,-0.2 0.849 118.5 34.9 -61.3 -36.4 7.7 22.7 -12.2 80 80 A L T 3X S+ 0 0 4 -4,-2.8 4,-2.9 1,-0.2 3,-0.3 0.185 82.2 117.7-101.3 13.5 6.0 19.4 -12.8 81 81 A S H <> S+ 0 0 42 -3,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.867 76.5 47.5 -47.6 -48.7 2.6 20.7 -13.8 82 82 A A H > S+ 0 0 79 -4,-0.3 4,-2.0 -3,-0.2 -1,-0.2 0.885 113.6 47.5 -63.2 -40.8 2.7 19.3 -17.3 83 83 A L H > S+ 0 0 55 -3,-0.3 4,-2.4 1,-0.2 5,-0.2 0.831 108.7 54.1 -73.0 -34.6 3.8 15.8 -16.1 84 84 A S H X S+ 0 0 2 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.890 109.9 48.9 -66.9 -33.8 1.1 15.8 -13.4 85 85 A D H X S+ 0 0 64 -4,-1.8 4,-2.9 -5,-0.3 5,-0.4 0.936 111.2 49.2 -67.9 -46.9 -1.4 16.5 -16.2 86 86 A L H X>S+ 0 0 69 -4,-2.0 5,-2.6 1,-0.2 4,-1.6 0.876 114.2 44.6 -57.3 -44.5 -0.0 13.7 -18.4 87 87 A H H <>S+ 0 0 34 -4,-2.4 5,-2.5 3,-0.2 6,-0.4 0.914 117.0 44.5 -72.1 -42.4 -0.0 11.1 -15.6 88 88 A A H <5S+ 0 0 7 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.905 127.4 25.0 -68.1 -43.7 -3.5 12.0 -14.3 89 89 A H H <5S+ 0 0 117 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.661 133.8 18.7 -99.5 -22.6 -5.3 12.3 -17.7 90 90 A K T <5S+ 0 0 137 -4,-1.6 -3,-0.2 -5,-0.4 -4,-0.1 0.779 127.3 32.9-113.5 -63.7 -3.5 10.1 -20.2 91 91 A L T - 0 0 5 -2,-0.3 3,-1.8 1,-0.2 4,-0.3 -0.346 29.0-122.4 -58.8 138.6 -2.1 3.5 -10.4 95 95 A P T >> S+ 0 0 38 0, 0.0 3,-1.4 0, 0.0 4,-0.7 0.741 104.9 73.3 -55.2 -26.2 -0.4 5.5 -7.6 96 96 A V H >> S+ 0 0 33 1,-0.3 4,-0.8 2,-0.2 3,-0.8 0.834 87.3 63.5 -58.6 -33.5 0.9 2.4 -6.0 97 97 A N H <> S+ 0 0 11 -3,-1.8 4,-2.0 1,-0.2 -1,-0.3 0.712 88.9 67.1 -64.9 -24.3 3.5 2.1 -8.7 98 98 A F H <> S+ 0 0 24 -3,-1.4 4,-2.4 -4,-0.3 -1,-0.2 0.848 97.9 53.8 -64.6 -36.0 5.2 5.4 -7.8 99 99 A K H X S+ 0 0 4 -4,-2.8 4,-2.4 1,-0.2 3,-1.3 0.948 111.6 54.1 -62.5 -45.5 21.6 5.7 -6.1 110 110 A A H 3< S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.893 108.2 49.9 -54.7 -41.8 22.8 3.5 -3.2 111 111 A A H 3< S+ 0 0 10 -4,-2.2 -1,-0.3 1,-0.2 152,-0.2 0.624 119.9 35.5 -72.6 -18.5 24.7 1.2 -5.6 112 112 A H H << S+ 0 0 52 -3,-1.3 -2,-0.2 -4,-0.8 -1,-0.2 0.629 112.4 54.8-112.2 -16.8 26.4 4.1 -7.3 113 113 A L X + 0 0 2 -4,-2.4 4,-1.8 1,-0.2 -1,-0.1 -0.593 55.0 159.3-119.3 66.8 27.0 6.7 -4.5 114 114 A P T 4 S+ 0 0 83 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.923 78.4 41.9 -53.5 -48.7 29.0 4.8 -1.9 115 115 A A T 4 S+ 0 0 83 1,-0.2 3,-0.1 -3,-0.2 -2,-0.1 0.854 119.3 42.4 -70.5 -35.4 30.4 7.9 -0.3 116 116 A E T 4 S+ 0 0 56 1,-0.2 2,-1.5 -103,-0.1 -1,-0.2 0.602 86.3 90.8 -88.8 -14.7 27.2 10.0 -0.4 117 117 A F < + 0 0 1 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.0 -0.396 55.0 153.9 -89.1 62.2 24.5 7.6 0.6 118 118 A T > - 0 0 62 -2,-1.5 4,-3.0 1,-0.1 5,-0.2 -0.370 60.8 -99.0 -79.5 162.8 24.6 8.2 4.4 119 119 A P H > S+ 0 0 20 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.886 124.6 48.8 -53.5 -45.4 21.5 7.6 6.6 120 120 A A H > S+ 0 0 35 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.915 113.2 46.0 -65.8 -41.9 20.6 11.3 6.6 121 121 A V H > S+ 0 0 18 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.909 110.8 53.9 -66.1 -43.2 20.9 11.5 2.7 122 122 A H H X S+ 0 0 1 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.945 110.0 47.7 -53.3 -51.9 18.9 8.3 2.4 123 123 A A H X S+ 0 0 15 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.916 113.0 48.2 -57.6 -45.4 16.1 9.8 4.5 124 124 A S H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.877 112.3 47.9 -62.9 -44.1 16.1 13.0 2.5 125 125 A L H X S+ 0 0 2 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.878 109.7 53.7 -66.5 -38.2 16.0 11.2 -0.9 126 126 A D H X S+ 0 0 18 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.898 112.1 44.1 -59.6 -47.7 13.2 9.0 0.3 127 127 A K H X S+ 0 0 17 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.892 111.8 54.3 -63.4 -43.0 11.1 12.0 1.3 128 128 A F H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.943 109.8 45.8 -57.6 -50.8 12.1 13.8 -2.0 129 129 A L H X S+ 0 0 8 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.871 111.3 53.2 -61.6 -38.0 10.8 10.8 -4.1 130 130 A A H X S+ 0 0 41 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.897 110.2 48.5 -61.4 -41.2 7.7 10.6 -2.0 131 131 A S H X S+ 0 0 28 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.910 110.8 48.9 -66.9 -44.6 7.1 14.4 -2.7 132 132 A V H X S+ 0 0 9 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.923 112.0 50.4 -57.8 -49.1 7.7 14.0 -6.4 133 133 A S H X S+ 0 0 20 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.869 109.7 50.7 -55.2 -43.7 5.2 11.0 -6.4 134 134 A T H X S+ 0 0 92 -4,-2.3 4,-0.5 1,-0.2 3,-0.3 0.907 111.0 47.7 -63.4 -44.6 2.6 13.1 -4.5 135 135 A V H >< S+ 0 0 19 -4,-2.4 3,-0.9 1,-0.2 4,-0.3 0.915 111.1 51.0 -63.9 -43.4 2.9 16.0 -7.0 136 136 A L H 3< S+ 0 0 19 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.711 115.8 42.1 -67.4 -20.4 2.6 13.6 -10.0 137 137 A T H >< S+ 0 0 39 -4,-1.2 3,-1.5 -3,-0.3 -1,-0.2 0.391 87.5 101.3-102.0 -4.0 -0.5 12.0 -8.5 138 138 A S T << S+ 0 0 72 -3,-0.9 3,-0.4 -4,-0.5 -2,-0.1 0.784 82.2 41.3 -54.2 -41.6 -2.0 15.3 -7.4 139 139 A K T 3 S+ 0 0 67 -4,-0.3 -1,-0.3 -55,-0.2 -2,-0.1 0.200 78.0 110.6-100.6 16.6 -4.5 15.7 -10.2 140 140 A Y < 0 0 15 -3,-1.5 -1,-0.2 1,-0.1 -2,-0.1 0.774 360.0 360.0 -61.9 -33.2 -5.8 12.2 -10.5 141 141 A R 0 0 87 -3,-0.4 -1,-0.1 -4,-0.2 326,-0.1 -0.950 360.0 360.0-157.2 360.0 -9.2 13.0 -9.1 142 !* 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 M 0 0 86 0, 0.0 2,-0.1 0, 0.0 133,-0.1 0.000 360.0 360.0 360.0 158.2 6.4 -14.7 -1.4 144 2 B V - 0 0 100 131,-0.1 2,-0.3 1,-0.1 135,-0.0 -0.202 360.0 -46.4-107.2-171.1 7.2 -16.0 -4.9 145 3 B H - 0 0 151 -2,-0.1 2,-0.7 1,-0.0 -1,-0.1 -0.513 36.0-162.5 -63.1 114.9 9.4 -18.4 -6.8 146 4 B L - 0 0 24 -2,-0.3 126,-0.0 129,-0.1 -1,-0.0 -0.923 16.0-149.2-103.6 115.3 13.1 -18.7 -6.1 147 5 B T >> - 0 0 66 -2,-0.7 4,-2.6 1,-0.1 3,-1.2 -0.623 31.6-106.7 -78.4 149.1 14.8 -20.4 -9.0 148 6 B P H 3> S+ 0 0 82 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.692 125.9 51.1 -48.6 -20.0 17.8 -22.5 -8.0 149 7 B E H 3> S+ 0 0 127 2,-0.2 4,-1.6 3,-0.2 5,-0.1 0.840 109.0 46.9 -84.5 -39.4 19.7 -19.7 -9.7 150 8 B E H <> S+ 0 0 35 -3,-1.2 4,-0.6 2,-0.2 -1,-0.2 0.658 113.6 50.9 -73.9 -26.8 18.0 -17.0 -7.8 151 9 B K H >X S+ 0 0 61 -4,-2.6 4,-2.3 2,-0.2 3,-0.7 0.945 110.2 48.6 -75.2 -52.1 18.6 -19.1 -4.7 152 10 B S H 3X S+ 0 0 69 -4,-1.8 4,-2.4 1,-0.3 -2,-0.2 0.818 107.5 55.0 -53.6 -38.6 22.3 -19.4 -5.5 153 11 B A H 3X S+ 0 0 32 -4,-1.6 4,-1.2 2,-0.2 -1,-0.3 0.789 110.3 48.3 -69.3 -25.5 22.6 -15.6 -6.1 154 12 B V H < S+ 0 0 12 -4,-1.2 3,-1.8 1,-0.2 4,-0.3 0.869 110.5 59.7 -65.2 -37.3 26.2 -12.7 -1.7 158 16 B W H >< S+ 0 0 23 -4,-1.9 3,-1.8 1,-0.3 -1,-0.2 0.842 93.4 65.5 -61.8 -32.8 25.1 -13.5 1.8 159 17 B G T 3< S+ 0 0 68 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.656 101.1 51.6 -62.2 -17.3 28.4 -15.4 2.4 160 18 B K T < S+ 0 0 134 -3,-1.8 2,-0.3 -4,-0.3 -1,-0.3 0.424 88.5 107.9 -97.9 -2.6 30.1 -12.0 2.1 161 19 B V < - 0 0 19 -3,-1.8 2,-1.0 -4,-0.3 3,-0.1 -0.593 65.0-141.8 -82.2 138.0 27.9 -10.2 4.6 162 20 B N > - 0 0 85 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 -0.876 22.1-161.8 -92.9 101.9 29.1 -9.1 8.0 163 21 B V H > S+ 0 0 32 -2,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.872 84.1 48.0 -57.1 -43.0 25.8 -10.0 9.7 164 22 B D H > S+ 0 0 90 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.954 115.7 44.7 -65.3 -45.5 26.5 -7.9 12.9 165 23 B E H > S+ 0 0 101 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.924 116.6 43.6 -65.2 -50.1 27.5 -4.9 10.8 166 24 B V H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.844 111.7 56.9 -64.2 -33.3 24.7 -5.0 8.3 167 25 B G H X S+ 0 0 2 -4,-2.3 4,-2.2 -5,-0.3 5,-0.2 0.940 108.9 43.6 -61.8 -50.3 22.3 -5.7 11.1 168 26 B G H X S+ 0 0 11 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.906 115.7 50.1 -60.6 -44.9 23.2 -2.5 13.0 169 27 B E H X S+ 0 0 35 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.893 111.9 45.5 -62.9 -47.6 23.1 -0.5 9.8 170 28 B A H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.884 115.8 45.6 -67.2 -42.5 19.7 -1.7 8.6 171 29 B L H X S+ 0 0 10 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.915 114.9 48.5 -67.2 -43.0 18.0 -1.3 11.9 172 30 B G H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.926 111.8 48.9 -61.6 -46.8 19.6 2.2 12.4 173 31 B R H X S+ 0 0 4 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.875 107.9 55.2 -63.9 -32.9 18.6 3.2 8.9 174 32 B L H X S+ 0 0 8 -4,-2.1 4,-2.4 1,-0.2 7,-0.3 0.916 109.9 46.6 -61.4 -45.4 15.0 2.0 9.5 175 33 B L H < S+ 0 0 0 -4,-1.9 -1,-0.2 2,-0.2 7,-0.2 0.751 117.6 42.6 -67.8 -29.1 14.8 4.2 12.6 176 34 B V H < S+ 0 0 18 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.875 119.2 40.6 -83.1 -48.1 16.3 7.2 10.8 177 35 B V H < S+ 0 0 1 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.850 130.1 26.9 -73.3 -36.8 14.3 6.9 7.5 178 36 B Y S >< S- 0 0 26 -4,-2.4 3,-2.4 -5,-0.3 -1,-0.3 -0.772 72.8-179.0-128.5 78.1 10.9 6.0 9.1 179 37 B P G > S+ 0 0 32 0, 0.0 3,-2.2 0, 0.0 4,-0.1 0.663 71.2 75.4 -58.9 -18.1 11.1 7.5 12.5 180 38 B W G > S+ 0 0 19 1,-0.3 3,-1.8 2,-0.2 4,-0.1 0.780 83.4 69.6 -65.7 -23.1 7.7 6.2 13.6 181 39 B T G X S+ 0 0 1 -3,-2.4 3,-1.1 -7,-0.3 -1,-0.3 0.616 78.9 78.3 -68.4 -13.2 9.4 2.8 13.9 182 40 B Q G X + 0 0 34 -3,-2.2 3,-1.9 1,-0.2 -1,-0.3 0.593 67.3 93.2 -68.6 -12.9 11.2 4.3 16.9 183 41 B R G < S+ 0 0 62 -3,-1.8 3,-0.4 1,-0.3 -1,-0.2 0.693 84.4 47.9 -52.9 -27.1 8.0 3.7 18.9 184 42 B F G < S+ 0 0 57 -3,-1.1 -1,-0.3 1,-0.2 3,-0.2 0.589 108.2 56.5 -88.6 -14.3 9.1 0.3 20.1 185 43 B F X + 0 0 21 -3,-1.9 3,-2.0 1,-0.2 -1,-0.2 -0.003 55.8 120.9-111.6 26.4 12.6 1.4 21.2 186 44 B E G > S+ 0 0 146 -3,-0.4 3,-1.1 1,-0.3 -1,-0.2 0.797 75.9 62.2 -64.3 -22.0 12.2 4.2 23.7 187 45 B S G 3 S+ 0 0 92 -3,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.512 85.6 77.1 -76.5 -4.9 14.1 2.1 26.3 188 46 B F G < S- 0 0 33 -3,-2.0 2,-0.4 1,-0.3 14,-0.4 0.455 95.8-137.3 -84.0 -3.1 17.1 2.2 24.0 189 47 B G < + 0 0 49 -3,-1.1 2,-0.6 -4,-0.1 -1,-0.3 -0.653 64.3 33.8 92.9-136.3 18.0 5.7 25.1 190 48 B D + 0 0 95 -2,-0.4 10,-0.1 1,-0.1 3,-0.1 -0.543 47.2 148.0 -74.3 112.4 19.1 8.5 22.8 191 49 B L + 0 0 20 -2,-0.6 -1,-0.1 1,-0.1 6,-0.1 -0.082 33.5 123.4-126.3 25.5 17.6 8.4 19.3 192 50 B S S S+ 0 0 88 4,-0.1 -1,-0.1 5,-0.0 3,-0.1 0.733 74.2 15.4 -63.8 -33.6 17.6 12.2 18.8 193 51 B T S > S- 0 0 65 1,-0.1 4,-2.8 -3,-0.1 5,-0.2 -0.914 81.5-102.5-140.3 168.6 19.7 12.4 15.7 194 52 B P H > S+ 0 0 51 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.894 123.6 50.0 -56.2 -44.5 20.9 10.2 12.8 195 53 B D H > S+ 0 0 139 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.898 110.7 48.4 -61.3 -45.0 24.3 10.0 14.5 196 54 B A H > S+ 0 0 19 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.869 114.7 46.9 -65.2 -39.9 22.8 9.1 17.9 197 55 B V H >< S+ 0 0 1 -4,-2.8 3,-0.8 1,-0.2 -2,-0.2 0.960 112.6 47.1 -64.7 -53.0 20.7 6.4 16.2 198 56 B M H 3< S+ 0 0 46 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.771 118.2 42.9 -62.4 -27.7 23.5 4.9 14.2 199 57 B G H 3< S+ 0 0 50 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.477 82.3 118.6 -97.9 -3.2 25.9 4.9 17.2 200 58 B N S+ 0 0 92 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.774 95.0 55.2 -63.5 -29.6 24.7 0.3 21.2 202 60 B K H > S+ 0 0 106 -14,-0.4 4,-2.5 2,-0.2 5,-0.2 0.872 108.3 49.3 -71.9 -37.5 21.2 -1.0 21.9 203 61 B V H > S+ 0 0 1 -15,-0.2 4,-2.8 2,-0.2 5,-0.2 0.943 112.5 47.5 -62.0 -50.5 20.2 -0.4 18.3 204 62 B K H X S+ 0 0 118 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.928 112.8 49.0 -56.8 -45.4 23.3 -2.2 17.1 205 63 B A H X S+ 0 0 45 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.883 112.7 46.8 -63.8 -40.0 22.6 -5.1 19.5 206 64 B H H X S+ 0 0 44 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.927 110.1 54.5 -70.1 -39.4 19.0 -5.4 18.4 207 65 B G H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.871 106.8 51.2 -57.5 -41.3 20.0 -5.2 14.7 208 66 B K H X S+ 0 0 101 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.917 111.2 47.4 -63.3 -44.8 22.4 -8.1 15.3 209 67 B K H X S+ 0 0 147 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.929 114.6 46.3 -63.2 -48.8 19.7 -10.2 16.9 210 68 B V H X S+ 0 0 43 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.942 115.8 43.4 -62.6 -51.2 17.2 -9.4 14.1 211 69 B L H X S+ 0 0 5 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.742 108.5 59.7 -70.2 -22.6 19.6 -10.1 11.2 212 70 B G H X S+ 0 0 22 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.915 108.5 44.3 -69.0 -41.7 20.9 -13.2 12.9 213 71 B A H X S+ 0 0 36 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.908 113.3 51.2 -65.3 -42.7 17.4 -14.7 12.8 214 72 B F H X S+ 0 0 19 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.961 109.4 51.7 -55.0 -49.5 17.0 -13.5 9.2 215 73 B S H >< S+ 0 0 28 -4,-2.5 3,-0.9 1,-0.3 4,-0.4 0.917 107.7 50.5 -54.6 -48.5 20.3 -15.2 8.4 216 74 B D H >< S+ 0 0 114 -4,-2.3 3,-1.4 1,-0.3 -1,-0.3 0.876 104.8 59.4 -63.5 -33.7 19.2 -18.5 9.9 217 75 B G H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.3 -1,-0.3 0.746 90.7 69.6 -64.1 -27.0 16.0 -18.2 7.8 218 76 B L G X< S+ 0 0 23 -4,-1.0 3,-0.6 -3,-0.9 -1,-0.3 0.680 92.7 58.5 -66.9 -18.6 18.0 -18.1 4.6 219 77 B A G < S+ 0 0 79 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.502 109.5 45.4 -84.7 -11.6 18.9 -21.8 5.2 220 78 B H G X + 0 0 95 -3,-1.5 3,-2.4 -4,-0.2 -1,-0.2 -0.222 62.3 141.0-125.5 40.3 15.2 -22.6 5.1 221 79 B L G X S+ 0 0 22 -3,-0.6 3,-0.6 1,-0.3 -1,-0.1 0.778 76.1 59.2 -54.3 -29.4 13.9 -20.7 2.1 222 80 B D G 3 S+ 0 0 143 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.587 117.4 27.9 -72.0 -23.9 11.7 -23.7 1.5 223 81 B N G <> + 0 0 94 -3,-2.4 4,-2.0 -6,-0.2 -1,-0.2 -0.310 66.9 142.4-141.1 58.4 10.0 -23.4 4.8 224 82 B L H <> S+ 0 0 14 -3,-0.6 4,-2.4 1,-0.2 5,-0.1 0.891 75.5 55.5 -64.7 -42.7 9.9 -19.8 6.0 225 83 B K H > S+ 0 0 120 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.932 112.3 41.9 -58.4 -44.6 6.4 -20.1 7.5 226 84 B G H >4 S+ 0 0 45 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.912 115.0 51.2 -66.6 -42.1 7.4 -23.0 9.7 227 85 B T H 3< S+ 0 0 53 -4,-2.0 -1,-0.2 1,-0.2 4,-0.2 0.790 118.0 37.1 -63.7 -35.2 10.7 -21.4 10.6 228 86 B F H 3X S+ 0 0 7 -4,-2.4 4,-2.6 1,-0.1 -1,-0.2 0.322 85.1 104.6-104.2 8.2 9.2 -18.1 11.6 229 87 B A H S+ 0 0 111 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.886 116.1 50.7 -66.5 -37.4 6.9 -18.8 16.9 231 89 B L H > S+ 0 0 62 -4,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.885 108.1 53.6 -67.6 -34.5 8.5 -15.5 16.1 232 90 B S H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.945 109.9 47.5 -61.1 -49.5 5.3 -14.5 14.3 233 91 B E H X S+ 0 0 85 -4,-2.2 4,-2.9 1,-0.2 5,-0.4 0.900 111.9 49.7 -56.3 -46.1 3.2 -15.3 17.3 234 92 B L H X>S+ 0 0 75 -4,-2.5 5,-2.3 1,-0.2 4,-2.1 0.915 108.7 51.6 -61.6 -46.0 5.6 -13.4 19.7 235 93 B H H <5S+ 0 0 36 -4,-2.5 6,-2.6 3,-0.2 5,-0.2 0.812 119.0 37.7 -62.4 -31.0 5.6 -10.3 17.5 236 94 B C H X5S+ 0 0 11 -4,-1.6 4,-0.6 4,-0.2 -2,-0.2 0.955 124.6 34.0 -81.3 -61.3 1.8 -10.2 17.4 237 95 B D H <5S+ 0 0 71 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.795 134.4 17.2 -70.7 -38.0 0.8 -11.3 20.9 238 96 B K T <5S+ 0 0 152 -4,-2.1 -3,-0.2 -5,-0.4 -1,-0.1 0.795 130.5 36.1-107.9 -39.3 3.6 -9.9 23.0 239 97 B L T 4 - 0 0 5 -2,-0.7 3,-2.3 1,-0.2 4,-0.3 -0.411 19.0-131.3 -63.4 125.2 2.5 -3.9 13.0 243 101 B P T >> S+ 0 0 6 0, 0.0 3,-1.1 0, 0.0 4,-1.1 0.669 100.3 80.1 -56.3 -16.6 3.7 -6.2 10.2 244 102 B E H 3> S+ 0 0 45 1,-0.3 4,-2.0 2,-0.2 3,-0.4 0.873 83.4 64.3 -59.5 -31.8 4.1 -3.2 8.0 245 103 B N H <> S+ 0 0 14 -3,-2.3 4,-2.4 1,-0.2 -1,-0.3 0.838 95.2 57.8 -58.5 -34.3 7.4 -2.7 9.9 246 104 B F H 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9.4 327 37 C P G > S+ 0 0 44 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.729 74.0 73.0 -57.6 -22.6 -6.5 -7.5 12.5 328 38 C T G > S+ 0 0 41 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.787 84.7 68.8 -64.8 -23.1 -3.1 -5.9 12.3 329 39 C T G X S+ 0 0 2 -3,-2.2 3,-1.5 -7,-0.3 -1,-0.3 0.725 84.0 71.8 -66.5 -19.4 -4.7 -2.7 13.3 330 40 C K G X S+ 0 0 65 -3,-1.7 3,-1.8 -4,-0.3 -1,-0.3 0.665 76.1 80.6 -68.9 -17.8 -5.2 -4.2 16.8 331 41 C T G < S+ 0 0 8 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.717 87.4 57.3 -63.5 -18.4 -1.5 -3.9 17.4 332 42 C Y G < S+ 0 0 21 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.487 106.4 48.6 -88.7 -4.2 -2.0 -0.2 18.3 333 43 C F X + 0 0 32 -3,-1.8 3,-1.6 -4,-0.1 -1,-0.2 -0.364 57.3 139.0-130.8 52.1 -4.6 -0.9 21.0 334 44 C P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.733 76.4 58.3 -67.2 -19.9 -3.0 -3.6 23.3 335 45 C H T 3 S+ 0 0 128 -3,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.359 93.8 85.8 -90.5 0.7 -4.4 -1.6 26.2 336 46 C F S < S- 0 0 44 -3,-1.6 2,-0.7 8,-0.0 -3,-0.1 -0.724 78.1-124.6-105.0 157.4 -8.0 -1.8 25.1 337 47 C D - 0 0 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38.5 116.1-124.1 18.7 -17.5 8.0 -18.9 482 50 D S S S+ 0 0 83 4,-0.0 -1,-0.1 5,-0.0 3,-0.1 0.550 75.4 17.3 -65.6 -26.4 -17.5 11.8 -18.4 483 51 D T S > S- 0 0 69 -3,-0.1 4,-2.8 1,-0.1 3,-0.4 -0.959 82.8-102.5-146.9 161.2 -19.7 12.2 -15.3 484 52 D P H > S+ 0 0 46 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.852 122.8 50.6 -53.6 -41.0 -21.1 9.9 -12.6 485 53 D D H > S+ 0 0 140 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.874 110.0 49.2 -68.3 -35.9 -24.5 9.8 -14.3 486 54 D A H > S+ 0 0 19 -3,-0.4 4,-0.7 2,-0.2 -1,-0.2 0.937 114.4 45.9 -66.0 -48.0 -22.9 8.9 -17.7 487 55 D V H >< S+ 0 0 1 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.938 114.0 46.8 -57.2 -54.4 -20.8 6.1 -16.0 488 56 D M H 3< S+ 0 0 38 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.814 116.1 45.0 -62.3 -35.6 -23.7 4.7 -14.0 489 57 D G H 3< S+ 0 0 49 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.450 82.5 118.5 -89.2 -1.1 -26.1 4.7 -17.0 490 58 D N S+ 0 0 98 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.850 94.8 54.9 -67.2 -33.7 -25.0 -0.1 -20.9 492 60 D K H > S+ 0 0 104 -14,-0.4 4,-2.5 2,-0.2 5,-0.2 0.870 108.9 48.4 -67.9 -35.2 -21.5 -1.4 -21.7 493 61 D V H > S+ 0 0 1 -15,-0.2 4,-3.0 2,-0.2 5,-0.2 0.917 113.1 48.4 -65.6 -44.6 -20.4 -0.7 -18.1 494 62 D K H X S+ 0 0 116 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.923 113.0 47.7 -61.4 -42.9 -23.5 -2.5 -16.9 495 63 D A H X S+ 0 0 59 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.919 114.6 44.7 -63.5 -47.0 -22.8 -5.4 -19.3 496 64 D H H X S+ 0 0 60 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.912 109.3 56.8 -65.2 -45.5 -19.1 -5.7 -18.2 497 65 D G H X S+ 0 0 1 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.865 107.2 49.3 -52.0 -42.3 -20.0 -5.4 -14.6 498 66 D K H X S+ 0 0 105 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.890 110.3 51.1 -65.8 -40.9 -22.4 -8.4 -14.9 499 67 D K H X S+ 0 0 165 -4,-1.7 4,-1.9 1,-0.2 5,-0.2 0.926 111.4 47.1 -62.9 -47.0 -19.7 -10.4 -16.7 500 68 D V H X S+ 0 0 41 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.926 113.8 44.9 -64.5 -46.3 -17.1 -9.7 -14.0 501 69 D L H X S+ 0 0 4 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.800 108.7 57.7 -72.3 -26.8 -19.4 -10.5 -11.0 502 70 D G H X S+ 0 0 23 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.929 110.0 43.9 -64.3 -44.2 -20.7 -13.7 -12.6 503 71 D A H X S+ 0 0 28 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.877 113.3 53.1 -66.2 -37.1 -17.0 -14.9 -12.8 504 72 D F H X S+ 0 0 20 -4,-2.2 4,-1.1 -5,-0.2 -2,-0.2 0.911 104.9 54.8 -62.7 -42.0 -16.6 -13.7 -9.3 505 73 D S H X S+ 0 0 24 -4,-2.6 4,-0.8 1,-0.2 3,-0.5 0.883 102.1 56.8 -61.2 -40.4 -19.7 -15.7 -8.3 506 74 D D H >< S+ 0 0 102 -4,-1.6 3,-1.1 1,-0.3 4,-0.4 0.873 102.4 55.8 -58.2 -38.7 -18.1 -18.9 -9.7 507 75 D G H >< S+ 0 0 0 -4,-1.5 3,-1.6 1,-0.3 -1,-0.3 0.851 96.6 64.2 -62.9 -31.1 -15.1 -18.3 -7.4 508 76 D L H >< S+ 0 0 22 -4,-1.1 3,-0.7 -3,-0.5 -1,-0.3 0.843 100.1 53.8 -60.7 -30.0 -17.6 -18.3 -4.4 509 77 D A T << S+ 0 0 73 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.580 113.7 40.9 -79.4 -13.0 -18.3 -21.9 -5.3 510 78 D H T X + 0 0 98 -3,-1.6 3,-2.3 -4,-0.4 -1,-0.2 -0.275 63.7 147.6-133.4 47.3 -14.6 -22.8 -5.2 511 79 D L T < S+ 0 0 15 -3,-0.7 3,-0.5 1,-0.3 -77,-0.2 0.699 74.4 57.7 -53.5 -23.8 -13.3 -21.0 -2.2 512 80 D D T 3 S+ 0 0 142 1,-0.2 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4,-2.8 -5,-0.2 5,-0.4 0.901 112.9 52.3 -58.4 -43.4 -3.2 -15.2 -17.6 524 92 D L H X>S+ 0 0 69 -4,-2.1 5,-2.2 1,-0.2 4,-2.0 0.927 108.9 49.4 -59.9 -47.9 -5.7 -13.4 -19.8 525 93 D H H <5S+ 0 0 39 -4,-2.6 6,-2.5 3,-0.2 5,-0.4 0.844 120.0 38.5 -65.4 -30.6 -5.7 -10.2 -17.6 526 94 D C H X5S+ 0 0 10 -4,-1.8 4,-0.8 4,-0.2 -2,-0.2 0.973 124.5 32.7 -78.9 -63.5 -1.8 -10.2 -17.6 527 95 D D H <5S+ 0 0 60 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.807 133.3 19.5 -70.3 -41.5 -1.0 -11.3 -21.2 528 96 D K T <5S+ 0 0 149 -4,-2.0 -3,-0.2 -5,-0.4 -1,-0.1 0.779 131.3 35.7-100.5 -38.2 -3.8 -9.8 -23.3 529 97 D L T 4 - 0 0 4 -2,-0.7 3,-2.2 1,-0.2 4,-0.3 -0.404 19.1-132.4 -58.0 123.4 -2.3 -3.9 -13.1 533 101 D P T >> S+ 0 0 6 0, 0.0 3,-1.4 0, 0.0 4,-1.0 0.689 99.3 80.4 -58.1 -16.7 -3.5 -6.3 -10.4 534 102 D E H 3> S+ 0 0 47 1,-0.3 4,-1.9 2,-0.2 3,-0.5 0.862 83.1 64.9 -57.7 -31.8 -3.9 -3.3 -8.1 535 103 D N H <> S+ 0 0 13 -3,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.795 93.5 59.7 -58.8 -31.8 -7.2 -2.8 -9.9 536 104 D F H <> S+ 0 0 25 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1 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.876 110.2 49.3 -62.3 -44.7 -21.8 -1.7 -2.6 547 115 D L H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.924 111.8 48.5 -62.8 -44.5 -22.9 -4.7 -0.4 548 116 D A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 7,-0.2 0.904 113.9 47.8 -60.7 -42.5 -22.9 -2.5 2.7 549 117 D H H < S+ 0 0 40 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.901 117.6 41.5 -61.8 -46.4 -24.9 0.1 0.7 550 118 D H H < S+ 0 0 92 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.904 125.0 32.5 -70.6 -48.1 -27.4 -2.5 -0.6 551 119 D F H >< S- 0 0 24 -4,-3.0 3,-1.7 -5,-0.2 -2,-0.2 0.583 82.8-175.1 -91.6 -13.4 -27.8 -4.6 2.6 552 120 D G G >< + 0 0 16 -4,-2.0 3,-2.4 -5,-0.3 -1,-0.2 -0.265 69.9 7.9 57.7-134.0 -27.5 -1.9 5.3 553 121 D K G 3 S+ 0 0 189 1,-0.3 -1,-0.3 -152,-0.2 -152,-0.1 0.684 121.7 68.1 -56.5 -24.7 -27.6 -3.3 8.8 554 122 D E G < S+ 0 0 90 -3,-1.7 2,-1.9 1,-0.2 -1,-0.3 0.720 83.1 77.6 -67.1 -24.8 -27.5 -6.9 7.7 555 123 D F S < S+ 0 0 0 -3,-2.4 -1,-0.2 -7,-0.2 -3,-0.1 -0.559 78.5 179.1 -85.1 70.0 -23.9 -6.3 6.4 556 124 D T > - 0 0 51 -2,-1.9 4,-3.1 1,-0.1 5,-0.3 -0.156 44.1 -96.3 -72.0 166.5 -22.5 -6.5 10.0 557 125 D P H > S+ 0 0 18 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.922 125.1 46.7 -49.6 -51.8 -18.9 -6.1 11.1 558 126 D P H > S+ 0 0 71 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.851 112.3 50.5 -61.3 -36.3 -18.3 -10.0 11.1 559 127 D V H > S+ 0 0 24 -3,-0.2 4,-2.3 1,-0.2 5,-0.2 0.920 110.3 49.9 -67.2 -44.7 -19.9 -10.4 7.7 560 128 D Q H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.919 107.9 53.9 -56.8 -46.5 -17.8 -7.6 6.3 561 129 D A H X S+ 0 0 5 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.909 107.8 50.0 -56.4 -40.9 -14.7 -9.3 7.7 562 130 D A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.930 112.7 47.1 -65.8 -42.8 -15.6 -12.6 5.9 563 131 D Y H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.850 106.7 57.3 -67.3 -32.3 -16.1 -10.7 2.6 564 132 D Q H X S+ 0 0 12 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.898 107.2 49.3 -64.3 -38.4 -12.8 -8.8 3.0 565 133 D K H X S+ 0 0 72 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.910 112.5 47.6 -64.0 -43.9 -11.0 -12.2 3.2 566 134 D V H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.940 110.9 49.6 -61.0 -50.5 -12.8 -13.4 0.1 567 135 D V H X S+ 0 0 10 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.893 112.0 47.9 -59.1 -41.5 -12.1 -10.3 -2.0 568 136 D A H X S+ 0 0 40 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.896 111.7 52.6 -64.3 -42.1 -8.4 -10.4 -1.0 569 137 D G H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.932 111.1 45.6 -56.4 -52.9 -8.4 -14.1 -1.9 570 138 D V H X S+ 0 0 10 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.930 112.3 49.6 -60.7 -49.9 -9.9 -13.4 -5.3 571 139 D A H X S+ 0 0 2 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.908 112.3 49.0 -59.8 -40.9 -7.6 -10.6 -6.1 572 140 D N H X S+ 0 0 60 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.899 109.5 52.0 -63.3 -43.0 -4.6 -12.7 -5.1 573 141 D A H < S+ 0 0 2 -4,-2.7 3,-0.5 1,-0.2 4,-0.3 0.880 110.5 48.8 -58.7 -43.0 -5.9 -15.6 -7.3 574 142 D L H < S+ 0 0 23 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.762 112.1 47.0 -71.3 -25.8 -6.2 -13.2 -10.3 575 143 D A H >< S+ 0 0 23 -4,-1.4 3,-1.7 -3,-0.2 -1,-0.2 0.542 88.0 94.6 -89.2 -10.3 -2.7 -11.7 -9.9 576 144 D H T 3< S+ 0 0 98 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.1 0.806 82.8 45.4 -53.9 -41.3 -1.1 -15.2 -9.5 577 145 D K T 3 S+ 0 0 90 -4,-0.3 -1,-0.3 -3,-0.3 2,-0.1 0.238 82.7 126.5 -93.1 13.9 -0.1 -15.8 -13.1 578 146 D Y < 0 0 29 -3,-1.7 -540,-0.1 -52,-0.1 -55,-0.1 -0.519 360.0 360.0 -72.2 143.3 1.4 -12.4 -13.6 579 147 D H 0 0 124 -542,-0.2 -539,-0.1 -2,-0.1 -2,-0.0 -0.899 360.0 360.0-156.2 360.0 5.0 -12.3 -14.9