==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 29-JUL-02 1M9P . COMPND 2 MOLECULE: HEMOGLOBIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.N.PATSKOVSKA,Y.V.PATSKOVSKY,S.C.ALMO,R.E.HIRSCH . 574 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24331.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 75.4 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 . 79 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 321 55.9 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 4 2 2 1 1 0 1 0 5 0 0 2 0 1 6 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 44 0, 0.0 2,-0.3 0, 0.0 127,-0.1 0.000 360.0 360.0 360.0 137.4 24.7 12.2 65.5 2 2 A L - 0 0 15 71,-0.1 427,-0.1 125,-0.1 122,-0.0 -0.567 360.0-138.7 -82.8 134.0 24.2 9.5 62.9 3 3 A S > - 0 0 11 -2,-0.3 4,-2.5 425,-0.3 5,-0.2 -0.345 28.7-108.0 -84.9 161.7 23.3 5.9 63.7 4 4 A P H > S+ 0 0 81 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.810 126.9 47.6 -60.8 -24.5 24.8 2.8 62.0 5 5 A A H > S+ 0 0 53 425,-0.2 4,-2.0 2,-0.2 5,-0.1 0.805 109.8 53.0 -81.6 -32.6 21.4 2.4 60.3 6 6 A D H > S+ 0 0 12 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.929 107.0 51.8 -66.6 -49.7 21.3 6.1 59.4 7 7 A K H X S+ 0 0 44 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.879 114.1 40.9 -56.8 -43.6 24.7 6.0 57.7 8 8 A T H X S+ 0 0 76 -4,-1.1 4,-2.3 2,-0.2 5,-0.2 0.914 108.9 58.8 -76.6 -38.0 23.9 3.0 55.5 9 9 A N H X S+ 0 0 53 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.810 109.5 46.3 -58.4 -34.4 20.3 4.2 54.6 10 10 A V H >X S+ 0 0 1 -4,-1.5 4,-3.1 2,-0.2 3,-0.9 0.942 110.0 52.6 -72.1 -51.5 21.9 7.4 53.1 11 11 A K H 3X S+ 0 0 96 -4,-1.6 4,-0.8 1,-0.3 -2,-0.2 0.835 112.9 44.6 -53.3 -39.1 24.6 5.5 51.2 12 12 A A H 3X S+ 0 0 62 -4,-2.3 4,-0.8 2,-0.2 -1,-0.3 0.641 116.8 45.7 -82.5 -18.1 22.0 3.3 49.6 13 13 A A H << S+ 0 0 8 -3,-0.9 4,-0.3 -4,-0.6 -2,-0.2 0.780 114.9 44.5 -93.5 -34.8 19.6 6.2 48.8 14 14 A W H X S+ 0 0 15 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.691 107.6 61.6 -80.5 -20.7 22.3 8.6 47.4 15 15 A G H < S+ 0 0 51 -4,-0.8 -2,-0.2 -5,-0.4 -1,-0.2 0.964 101.1 52.6 -69.0 -42.3 23.7 5.6 45.5 16 16 A K T < S+ 0 0 132 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.628 104.4 56.2 -66.2 -18.8 20.2 5.4 43.6 17 17 A V T >4 S+ 0 0 3 -4,-0.3 3,-1.9 -3,-0.2 2,-0.6 0.966 80.8 134.4 -75.0 -51.0 20.6 9.1 42.8 18 18 A G G >< S+ 0 0 47 -4,-1.9 3,-0.7 1,-0.3 -1,-0.2 -0.507 75.3 10.8 49.8-102.8 23.9 8.2 41.1 19 19 A A G 3 S+ 0 0 101 -2,-0.6 3,-0.4 1,-0.2 -1,-0.3 0.680 121.3 69.7 -80.8 -18.6 24.2 9.9 37.7 20 20 A H G <> + 0 0 88 -3,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.351 69.6 104.0 -81.1 3.6 21.1 12.1 38.4 21 21 A A H <> S+ 0 0 2 -3,-0.7 4,-3.1 2,-0.2 3,-0.3 0.906 76.4 47.5 -51.3 -59.0 23.0 14.1 41.1 22 22 A G H > S+ 0 0 15 -3,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.832 113.3 50.8 -56.3 -34.7 23.7 17.3 39.1 23 23 A E H > S+ 0 0 100 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.860 114.2 43.4 -71.2 -38.8 20.0 17.4 38.0 24 24 A Y H X S+ 0 0 6 -4,-1.9 4,-2.4 -3,-0.3 -2,-0.2 0.843 111.9 51.6 -77.0 -38.8 18.8 16.9 41.6 25 25 A G H X S+ 0 0 3 -4,-3.1 4,-1.5 2,-0.2 -2,-0.2 0.852 112.3 49.7 -65.8 -32.4 21.2 19.4 43.1 26 26 A A H X S+ 0 0 2 -4,-1.4 4,-2.1 -5,-0.3 -2,-0.2 0.895 110.5 47.4 -72.8 -42.4 19.9 21.8 40.4 27 27 A E H X S+ 0 0 35 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.926 110.3 54.0 -65.1 -43.3 16.2 21.2 41.1 28 28 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.873 109.6 47.4 -57.3 -43.2 16.8 21.6 44.9 29 29 A L H X S+ 0 0 1 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.928 113.6 46.6 -67.2 -44.7 18.4 25.1 44.3 30 30 A E H X S+ 0 0 39 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.857 111.6 51.4 -66.9 -36.9 15.7 26.3 42.0 31 31 A R H X S+ 0 0 4 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.947 113.0 47.1 -63.8 -43.8 13.0 25.0 44.5 32 32 A M H X S+ 0 0 9 -4,-2.4 4,-2.4 1,-0.2 7,-0.3 0.874 112.3 48.6 -64.7 -42.6 14.8 26.9 47.2 33 33 A F H < S+ 0 0 9 -4,-2.5 7,-0.2 2,-0.2 -1,-0.2 0.871 119.2 38.7 -68.0 -36.0 15.2 30.1 45.1 34 34 A L H < S+ 0 0 67 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.947 122.2 41.7 -79.0 -48.3 11.5 30.1 44.1 35 35 A S H < S+ 0 0 12 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.804 126.2 30.1 -70.1 -35.9 10.1 29.0 47.5 36 36 A F >< - 0 0 35 -4,-2.4 3,-1.4 -5,-0.3 -1,-0.3 -0.845 68.4-175.7-129.4 90.2 12.3 31.1 49.7 37 37 A P G > S+ 0 0 84 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.734 76.1 70.3 -58.2 -27.9 13.2 34.4 47.8 38 38 A T G > S+ 0 0 52 1,-0.3 3,-0.5 2,-0.2 4,-0.1 0.674 88.8 66.1 -66.0 -17.2 15.6 35.7 50.6 39 39 A T G X S+ 0 0 2 -3,-1.4 3,-1.1 -7,-0.3 -1,-0.3 0.639 84.5 71.9 -76.1 -21.2 18.1 32.9 49.6 40 40 A K G X S+ 0 0 90 -3,-1.5 3,-1.8 1,-0.2 -1,-0.2 0.805 82.6 72.6 -63.6 -30.7 18.6 34.5 46.2 41 41 A T G < S+ 0 0 67 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 0.605 87.6 60.7 -61.6 -18.6 20.5 37.4 47.9 42 42 A Y G < S+ 0 0 35 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.599 106.5 50.1 -82.3 -16.9 23.5 35.0 48.6 43 43 A F < + 0 0 35 -3,-1.8 3,-0.5 -4,-0.2 -1,-0.3 -0.700 61.6 144.0-123.4 75.4 23.8 34.6 44.8 44 44 A P S S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.710 74.4 55.4 -87.3 -17.2 23.9 38.1 43.3 45 45 A H S S+ 0 0 130 -3,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.210 93.0 108.7 -94.3 10.1 26.4 37.2 40.6 46 46 A F S S- 0 0 35 -3,-0.5 2,-1.1 -6,-0.2 -3,-0.1 -0.690 74.3-127.5 -99.8 146.5 24.1 34.4 39.4 47 47 A D - 0 0 100 -2,-0.3 8,-0.5 1,-0.1 7,-0.2 -0.746 34.4-176.3 -84.0 90.9 21.9 33.9 36.3 48 48 A L + 0 0 51 -2,-1.1 -1,-0.1 -4,-0.1 2,-0.1 0.177 37.6 109.3 -95.3 17.1 18.7 33.0 38.3 49 49 A S S > S- 0 0 83 1,-0.1 3,-1.3 2,-0.1 6,-0.2 -0.408 83.1 -77.8 -85.4 165.2 16.2 32.1 35.5 50 50 A H T 3 S+ 0 0 146 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 -0.399 119.8 22.0 -63.2 137.1 14.9 28.6 34.8 51 51 A G T 3 S+ 0 0 51 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.719 85.2 169.6 78.2 22.0 17.5 26.6 32.9 52 52 A S <> - 0 0 12 -3,-1.3 4,-1.3 1,-0.1 -1,-0.2 -0.396 36.0-143.1 -65.7 145.6 20.5 28.7 34.0 53 53 A A H > S+ 0 0 86 2,-0.2 4,-1.7 3,-0.2 -1,-0.1 0.831 101.0 56.0 -76.7 -32.4 23.9 27.3 33.2 54 54 A Q H > S+ 0 0 70 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.956 110.3 40.0 -65.3 -51.6 25.1 28.7 36.5 55 55 A V H > S+ 0 0 6 -8,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.827 115.8 52.5 -74.4 -21.0 22.6 27.0 38.7 56 56 A K H X S+ 0 0 85 -4,-1.3 4,-0.6 2,-0.2 -1,-0.2 0.827 116.0 41.8 -77.8 -29.3 22.9 23.8 36.6 57 57 A G H X S+ 0 0 34 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.822 115.1 48.8 -84.7 -34.2 26.7 24.0 37.2 58 58 A H H X S+ 0 0 44 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.882 106.2 58.8 -71.2 -40.1 26.4 25.0 40.8 59 59 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.792 103.4 51.1 -59.0 -32.1 23.9 22.1 41.4 60 60 A K H X S+ 0 0 93 -4,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.928 112.1 47.9 -71.6 -42.1 26.5 19.6 40.2 61 61 A K H X S+ 0 0 143 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.908 114.4 44.9 -65.1 -42.7 29.0 21.1 42.7 62 62 A V H X S+ 0 0 28 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.945 116.4 46.1 -65.5 -46.9 26.5 21.1 45.5 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.810 112.8 50.4 -65.8 -33.9 25.4 17.5 44.7 64 64 A D H X S+ 0 0 66 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.798 108.0 52.9 -73.6 -32.6 29.1 16.4 44.4 65 65 A A H X S+ 0 0 26 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.902 110.8 47.0 -69.2 -40.3 29.9 17.9 47.7 66 66 A L H X S+ 0 0 17 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.790 108.9 54.7 -71.4 -29.3 27.1 16.0 49.3 67 67 A T H X S+ 0 0 58 -4,-1.2 4,-1.8 2,-0.2 3,-0.3 0.838 106.6 51.8 -71.8 -31.7 28.3 12.9 47.5 68 68 A N H X S+ 0 0 63 -4,-1.5 4,-2.8 1,-0.2 -2,-0.2 0.838 107.5 52.8 -70.3 -35.6 31.7 13.5 49.1 69 69 A A H < S+ 0 0 0 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.616 107.9 50.2 -74.3 -19.2 29.9 13.7 52.5 70 70 A V H >< S+ 0 0 15 -4,-0.6 3,-0.8 -3,-0.3 -2,-0.2 0.834 112.5 48.7 -83.8 -37.5 28.3 10.3 51.8 71 71 A A H 3< S+ 0 0 68 -4,-1.8 2,-0.4 1,-0.3 3,-0.2 0.949 123.3 30.6 -64.7 -51.2 31.8 8.9 50.9 72 72 A H T >< S+ 0 0 98 -4,-2.8 3,-0.9 1,-0.2 7,-0.3 -0.429 78.8 140.4-108.2 58.1 33.4 10.4 54.1 73 73 A V G X + 0 0 7 -3,-0.8 3,-0.6 -2,-0.4 -1,-0.2 0.757 67.3 55.0 -72.4 -28.8 30.4 10.2 56.4 74 74 A D G 3 S+ 0 0 108 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.409 122.0 31.5 -84.9 0.7 32.2 9.0 59.6 75 75 A D G <> + 0 0 88 -3,-0.9 4,-1.6 -6,-0.1 -1,-0.2 -0.236 68.7 148.2-154.9 55.2 34.5 12.1 59.2 76 76 A M H <> S+ 0 0 15 -3,-0.6 4,-2.7 1,-0.2 -2,-0.1 0.802 71.7 58.5 -64.4 -34.4 32.6 15.0 57.6 77 77 A P H 4 S+ 0 0 34 0, 0.0 -1,-0.2 0, 0.0 7,-0.1 0.925 109.0 45.9 -64.1 -36.6 34.4 17.8 59.4 78 78 A N H >4 S+ 0 0 107 -3,-0.2 3,-0.6 1,-0.2 -2,-0.2 0.899 117.8 44.4 -68.4 -39.2 37.7 16.6 57.9 79 79 A A H 3< S+ 0 0 31 -4,-1.6 3,-0.3 -7,-0.3 -1,-0.2 0.886 115.9 42.1 -73.0 -46.7 36.2 16.2 54.5 80 80 A L T 3X S+ 0 0 5 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.061 77.1 117.0 -93.2 25.0 34.2 19.4 54.2 81 81 A S H <> S+ 0 0 59 -3,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.825 74.9 47.9 -69.5 -32.8 36.8 21.8 55.7 82 82 A A H > S+ 0 0 76 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.785 112.8 54.0 -71.9 -27.5 37.4 24.1 52.5 83 83 A L H > S+ 0 0 47 2,-0.2 4,-2.5 -3,-0.2 -2,-0.2 0.751 105.9 49.5 -75.9 -29.4 33.7 24.3 52.3 84 84 A S H X>S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 5,-0.9 0.867 107.6 54.4 -76.7 -38.0 33.2 25.5 55.9 85 85 A D H X>S+ 0 0 60 -4,-1.6 5,-2.4 3,-0.2 4,-1.4 0.981 114.5 44.7 -56.5 -47.1 35.9 28.2 55.4 86 86 A L H <>S+ 0 0 62 -4,-1.7 5,-3.6 3,-0.2 6,-0.3 0.931 122.1 31.3 -60.0 -63.9 33.7 29.2 52.4 87 87 A H H <5S+ 0 0 42 -4,-2.5 6,-2.6 3,-0.2 -1,-0.2 0.768 128.2 36.7 -72.8 -29.6 30.2 29.1 54.0 88 88 A A H <5S+ 0 0 6 -4,-2.8 -3,-0.2 4,-0.2 -2,-0.2 0.910 131.0 17.8 -91.2 -53.0 31.1 30.1 57.6 89 89 A H T <> - 0 0 9 -2,-0.2 3,-1.6 374,-0.1 4,-0.6 -0.527 17.6-131.5 -70.3 129.3 22.7 32.0 58.1 95 95 A P H 3> S+ 0 0 32 0, 0.0 4,-1.1 0, 0.0 3,-0.3 0.668 102.7 73.2 -61.0 -12.9 22.0 28.3 59.1 96 96 A V H 3> S+ 0 0 29 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.887 92.5 55.5 -67.1 -32.8 18.3 29.0 58.4 97 97 A N H <> S+ 0 0 15 -3,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.762 102.2 56.5 -71.3 -24.3 19.2 28.8 54.7 98 98 A F H X S+ 0 0 21 -4,-0.6 4,-1.8 -3,-0.3 -1,-0.2 0.812 103.5 52.7 -75.4 -31.6 20.7 25.4 55.2 99 99 A K H X S+ 0 0 127 -4,-1.1 4,-1.9 -3,-0.4 -2,-0.2 0.889 110.6 51.3 -67.9 -36.2 17.4 24.2 56.7 100 100 A L H X S+ 0 0 26 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.955 111.9 41.4 -67.6 -51.7 15.8 25.5 53.5 101 101 A L H X S+ 0 0 34 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.894 114.9 53.9 -65.5 -34.0 18.1 23.9 50.9 102 102 A S H X S+ 0 0 14 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.872 109.5 47.9 -67.9 -34.9 17.9 20.7 53.0 103 103 A H H X S+ 0 0 17 -4,-1.9 4,-2.0 2,-0.2 3,-0.3 0.913 113.1 46.5 -69.6 -45.8 14.1 20.8 52.9 104 104 A C H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.787 109.8 56.0 -67.5 -27.5 14.0 21.4 49.1 105 105 A L H X S+ 0 0 3 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.788 107.8 47.1 -74.2 -32.2 16.6 18.6 48.7 106 106 A L H X S+ 0 0 3 -4,-1.1 4,-2.4 -3,-0.3 -2,-0.2 0.870 111.5 51.7 -76.1 -37.5 14.3 16.2 50.5 107 107 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.911 110.4 48.5 -62.6 -46.0 11.4 17.3 48.4 108 108 A T H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 3,-0.2 0.939 112.8 47.5 -58.6 -50.1 13.5 16.7 45.2 109 109 A L H X S+ 0 0 9 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.876 112.4 50.2 -60.8 -36.6 14.4 13.2 46.5 110 110 A A H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.800 111.3 49.3 -72.0 -30.6 10.8 12.6 47.4 111 111 A A H < S+ 0 0 12 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.872 121.9 30.9 -76.5 -37.0 9.7 13.7 43.9 112 112 A H H < S+ 0 0 53 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.740 123.3 37.2 -94.8 -36.1 12.3 11.5 42.0 113 113 A L >X + 0 0 26 -4,-2.4 3,-1.5 -5,-0.2 4,-1.4 -0.566 61.0 163.0-124.5 72.3 12.9 8.3 44.1 114 114 A P T 34 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.755 77.4 51.8 -60.4 -30.9 9.5 7.4 45.6 115 115 A A T 34 S+ 0 0 84 1,-0.2 3,-0.1 3,-0.0 -5,-0.1 0.531 110.7 49.2 -84.6 -8.1 10.5 3.8 46.5 116 116 A E T <4 S+ 0 0 50 -3,-1.5 2,-1.9 -7,-0.2 -1,-0.2 0.712 89.6 82.7-100.0 -24.3 13.6 5.1 48.3 117 117 A F < + 0 0 5 -4,-1.4 -1,-0.2 -8,-0.2 141,-0.0 -0.403 57.8 158.5 -84.6 63.5 11.8 7.7 50.4 118 118 A T > - 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0 0 85 -2,-0.3 2,-1.8 1,-0.1 3,-1.6 -0.652 19.7-160.2 -78.1 98.2 -6.3 11.1 48.9 162 20 B V T 34 S+ 0 0 68 -2,-1.2 -1,-0.1 1,-0.3 -2,-0.0 -0.096 86.6 52.3 -75.1 39.4 -8.2 12.5 51.8 163 21 B D T 34 S+ 0 0 96 -2,-1.8 -1,-0.3 43,-0.0 44,-0.1 0.411 118.4 21.5-146.1 -21.9 -7.7 9.2 53.7 164 22 B E T X> S+ 0 0 80 -3,-1.6 4,-1.0 2,-0.1 3,-0.9 0.760 104.5 65.5-120.9 -50.1 -3.9 8.6 53.5 165 23 B V H 3X S+ 0 0 0 -4,-1.1 4,-1.8 1,-0.3 5,-0.1 0.757 101.6 56.7 -50.2 -30.1 -1.7 11.7 53.0 166 24 B G H 3> S+ 0 0 5 -5,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.901 108.4 43.9 -70.7 -42.4 -2.8 13.1 56.3 167 25 B G H <4 S+ 0 0 5 -3,-0.9 4,-0.3 1,-0.2 -1,-0.2 0.545 113.1 54.2 -78.6 -11.4 -1.6 10.1 58.3 168 26 B E H X S+ 0 0 25 -4,-1.0 4,-1.9 3,-0.2 -2,-0.2 0.792 109.8 45.9 -86.8 -37.1 1.6 10.0 56.3 169 27 B A H X S+ 0 0 6 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.969 120.4 38.4 -68.8 -53.5 2.4 13.7 57.1 170 28 B L H X S+ 0 0 5 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.816 117.0 54.4 -67.4 -30.0 1.6 13.3 60.8 171 29 B G H 4 S+ 0 0 0 -4,-0.3 4,-0.4 -5,-0.2 -1,-0.2 0.848 106.9 48.2 -73.3 -36.3 3.2 9.8 60.6 172 30 B R H X S+ 0 0 8 -4,-1.9 4,-2.4 1,-0.2 5,-0.4 0.719 103.5 64.1 -76.6 -19.6 6.5 11.1 59.2 173 31 B L H X S+ 0 0 7 -4,-1.2 4,-1.5 1,-0.2 7,-0.3 0.893 104.1 46.3 -69.1 -38.6 6.5 13.9 61.9 174 32 B L H < S+ 0 0 0 -4,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.549 117.2 43.3 -82.4 -9.5 6.8 11.2 64.6 175 33 B V H 4 S+ 0 0 21 -4,-0.4 -2,-0.2 -3,-0.3 -1,-0.1 0.836 119.9 37.3 -99.9 -46.7 9.6 9.3 62.7 176 34 B V H < S+ 0 0 8 -4,-2.4 -3,-0.2 1,-0.3 -2,-0.2 0.854 132.6 28.4 -73.3 -39.5 11.8 12.1 61.5 177 35 B Y S >< S- 0 0 25 -4,-1.5 3,-2.1 -5,-0.4 -1,-0.3 -0.740 75.7-178.0-123.0 77.9 11.4 14.2 64.7 178 36 B P G > S+ 0 0 24 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.551 71.1 75.0 -63.8 -5.9 10.7 11.5 67.4 179 37 B W G > S+ 0 0 40 1,-0.2 3,-1.7 2,-0.2 4,-0.3 0.748 83.7 68.6 -73.7 -22.2 10.2 14.0 70.3 180 38 B T G X S+ 0 0 8 -3,-2.1 3,-0.9 -7,-0.3 -1,-0.2 0.703 80.9 76.4 -67.7 -16.6 6.8 14.7 68.7 181 39 B Q G X S+ 0 0 17 -3,-0.9 3,-1.4 -4,-0.2 -1,-0.3 0.714 80.5 73.2 -63.0 -23.0 5.9 11.2 69.8 182 40 B R G < S+ 0 0 57 -3,-1.7 3,-0.4 1,-0.3 -1,-0.2 0.877 88.2 56.2 -61.0 -40.2 5.6 12.7 73.3 183 41 B F G < S+ 0 0 54 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.420 105.1 60.8 -74.0 0.6 2.3 14.5 72.6 184 42 B F X + 0 0 27 -3,-1.4 3,-0.5 1,-0.1 -1,-0.2 -0.503 49.9 129.9-131.8 66.4 0.9 11.1 71.6 185 43 B E G > S+ 0 0 156 -3,-0.4 3,-1.0 1,-0.2 -1,-0.1 0.769 75.1 63.2 -83.2 -28.6 1.0 8.6 74.6 186 44 B S G 3 S+ 0 0 87 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 -0.015 89.2 71.8 -85.0 24.2 -2.7 7.7 73.9 187 45 B F G < S- 0 0 25 -3,-0.5 14,-0.2 1,-0.3 -1,-0.2 0.328 86.1-151.3-118.8 -2.2 -1.8 6.3 70.5 188 46 B G < + 0 0 56 -3,-1.0 -1,-0.3 13,-0.1 2,-0.1 -0.419 61.5 38.9 72.6-136.6 -0.1 3.1 71.5 189 47 B D + 0 0 101 -2,-0.2 10,-0.1 1,-0.2 -4,-0.0 -0.318 53.4 140.7 -59.0 116.9 2.7 1.5 69.4 190 48 B L + 0 0 9 -2,-0.1 -1,-0.2 5,-0.0 6,-0.1 0.028 35.6 113.9-143.2 19.2 4.9 4.1 67.8 191 49 B S S S+ 0 0 90 4,-0.0 -2,-0.0 5,-0.0 -3,-0.0 0.891 76.1 28.8 -63.0 -52.1 8.2 2.1 68.3 192 50 B T S > S- 0 0 65 1,-0.1 4,-2.0 0, 0.0 3,-0.2 -0.703 87.0-111.4-107.9 159.8 9.3 1.4 64.7 193 51 B P H > S+ 0 0 40 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.795 120.1 56.0 -62.2 -23.6 8.4 3.5 61.6 194 52 B D H > S+ 0 0 126 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.864 106.1 50.1 -73.0 -38.3 6.1 0.7 60.4 195 53 B A H > S+ 0 0 20 2,-0.2 4,-1.3 -3,-0.2 -1,-0.2 0.938 111.4 49.0 -65.4 -46.7 4.2 0.8 63.7 196 54 B V H < S+ 0 0 1 -4,-2.0 -2,-0.2 2,-0.2 6,-0.2 0.909 115.8 41.4 -60.2 -50.9 3.8 4.6 63.4 197 55 B M H < S+ 0 0 37 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.900 117.9 44.5 -67.5 -44.3 2.5 4.5 59.7 198 56 B G H < S+ 0 0 53 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.629 86.3 117.2 -75.3 -15.0 0.2 1.5 60.1 199 57 B N X - 0 0 15 -4,-1.3 4,-1.2 -3,-0.2 3,-0.3 -0.348 60.7-146.5 -58.1 122.2 -1.2 2.8 63.4 200 58 B P H > S+ 0 0 95 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.832 95.9 55.1 -62.7 -35.9 -4.9 3.5 63.0 201 59 B K H > S+ 0 0 105 -14,-0.2 4,-3.4 1,-0.2 5,-0.3 0.843 105.1 55.8 -67.7 -31.3 -5.1 6.5 65.4 202 60 B V H > S+ 0 0 0 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.874 111.6 41.5 -67.0 -41.3 -2.3 8.2 63.3 203 61 B K H X S+ 0 0 67 -4,-1.2 4,-1.2 2,-0.2 -2,-0.2 0.867 117.7 49.7 -73.6 -36.9 -4.4 7.8 60.0 204 62 B A H >X S+ 0 0 58 -4,-2.2 4,-1.1 2,-0.2 3,-0.7 0.959 116.1 38.5 -66.0 -56.5 -7.5 8.9 61.9 205 63 B H H 3X S+ 0 0 56 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.854 111.6 63.7 -64.1 -34.0 -6.0 12.0 63.6 206 64 B G H 3X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.2 0.777 97.5 53.2 -61.3 -32.3 -4.2 12.6 60.3 207 65 B K H X S+ 0 0 63 -4,-1.6 4,-1.6 1,-0.2 3,-0.9 0.955 113.6 44.0 -61.0 -51.8 -10.2 24.5 55.8 216 74 B G H 3< S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.706 103.5 64.1 -70.1 -23.6 -7.5 27.2 55.7 217 75 B L H 3< S+ 0 0 12 -4,-2.0 3,-0.4 1,-0.2 -1,-0.3 0.791 107.3 45.5 -69.7 -27.0 -6.8 26.6 52.0 218 76 B A H << S+ 0 0 69 -4,-1.0 2,-1.0 -3,-0.9 -2,-0.2 0.921 115.3 43.1 -80.5 -48.6 -10.4 27.9 51.4 219 77 B H >< + 0 0 98 -4,-1.6 3,-1.0 1,-0.2 -1,-0.2 -0.504 68.4 148.5-100.2 62.1 -10.3 30.9 53.8 220 78 B L T 3 + 0 0 20 -2,-1.0 -1,-0.2 -3,-0.4 3,-0.2 0.187 63.0 70.7 -80.8 13.9 -6.8 32.0 52.6 221 79 B D T 3 S+ 0 0 150 1,-0.2 -1,-0.2 -77,-0.1 -77,-0.1 0.643 116.0 15.6 -99.7 -30.4 -7.9 35.6 53.3 222 80 B N <> + 0 0 82 -3,-1.0 4,-1.3 -6,-0.1 3,-0.3 -0.552 64.1 157.3-149.0 75.2 -7.9 35.1 57.1 223 81 B L H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.870 75.7 67.1 -66.1 -32.8 -6.0 31.9 58.1 224 82 B K H 4 S+ 0 0 87 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.818 102.1 41.8 -56.5 -42.9 -5.5 33.7 61.5 225 83 B G H >4 S+ 0 0 35 -3,-0.3 3,-1.1 2,-0.2 4,-0.4 0.917 109.9 54.8 -75.9 -45.5 -9.2 33.5 62.5 226 84 B T H 3< S+ 0 0 34 -4,-1.3 3,-0.3 1,-0.3 4,-0.3 0.816 118.2 37.2 -58.1 -31.5 -10.0 30.0 61.3 227 85 B F T 3X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 -1,-0.3 0.402 86.0 100.6-102.3 1.5 -7.1 28.7 63.4 228 86 B A T <4 S+ 0 0 31 -3,-1.1 4,-0.4 1,-0.2 -1,-0.2 0.725 91.2 43.0 -57.3 -24.1 -7.7 31.1 66.3 229 87 B T T > S+ 0 0 89 -4,-0.4 4,-1.3 -3,-0.3 -1,-0.2 0.838 111.4 52.1 -88.1 -43.2 -9.4 28.2 68.0 230 88 B L H > S+ 0 0 56 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.863 106.0 56.1 -63.2 -39.1 -6.8 25.5 67.0 231 89 B S H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.5 0.814 101.5 55.9 -65.0 -34.3 -4.0 27.7 68.4 232 90 B E H 4 S+ 0 0 116 -4,-0.4 5,-0.4 -3,-0.2 6,-0.2 0.917 110.8 46.1 -64.4 -42.3 -5.6 27.9 71.9 233 91 B L H <>S+ 0 0 79 -4,-1.3 5,-3.0 4,-0.2 4,-0.3 0.947 121.2 35.5 -65.0 -52.5 -5.7 24.1 72.0 234 92 B H H <5S+ 0 0 44 -4,-2.3 6,-2.7 3,-0.2 -2,-0.2 0.870 128.3 29.7 -72.5 -41.8 -2.1 23.6 70.8 235 93 B C T X5S+ 0 0 0 -4,-2.9 4,-1.4 4,-0.2 -3,-0.2 0.949 124.3 29.7 -83.7 -83.8 -0.4 26.6 72.5 236 94 B D T 45S+ 0 0 98 50,-0.5 -3,-0.1 -5,-0.5 -4,-0.1 0.429 138.1 21.2 -62.1 0.6 -1.9 27.8 75.8 237 95 B K T 45S+ 0 0 165 -5,-0.4 -3,-0.2 -4,-0.3 -4,-0.2 0.588 129.4 34.5-130.3 -65.0 -3.1 24.3 76.7 238 96 B L T 4 - 0 0 48 -2,-0.6 3,-1.8 1,-0.1 4,-0.3 -0.407 21.9-124.4 -62.6 128.4 6.5 24.6 70.6 242 100 B P T >> S+ 0 0 30 0, 0.0 3,-1.0 0, 0.0 4,-0.8 0.626 103.2 73.5 -50.6 -22.4 5.8 26.6 67.3 243 101 B E H >> S+ 0 0 83 1,-0.3 4,-2.0 2,-0.2 3,-0.5 0.837 90.0 60.9 -64.3 -26.7 8.8 25.1 65.4 244 102 B N H <> S+ 0 0 6 -3,-1.8 4,-2.3 1,-0.3 -1,-0.3 0.760 98.4 56.7 -73.1 -23.2 6.8 21.9 65.2 245 103 B F H <> S+ 0 0 23 -3,-1.0 4,-1.2 -4,-0.3 -1,-0.3 0.763 107.6 47.0 -76.7 -31.2 4.1 23.8 63.2 246 104 B R H << S+ 0 0 78 -4,-0.8 4,-0.5 -3,-0.5 -2,-0.2 0.862 114.3 50.1 -74.8 -38.6 6.8 24.8 60.6 247 105 B L H >X S+ 0 0 18 -4,-2.0 4,-1.7 2,-0.2 3,-0.6 0.877 108.1 49.2 -67.8 -44.3 8.0 21.1 60.6 248 106 B L H 3X S+ 0 0 27 -4,-2.3 4,-2.1 1,-0.2 3,-0.4 0.946 110.1 52.7 -64.0 -42.6 4.6 19.4 60.1 249 107 B G H 3X S+ 0 0 0 -4,-1.2 4,-0.9 1,-0.2 -1,-0.2 0.656 110.5 48.8 -67.7 -15.2 3.8 21.8 57.2 250 108 B N H <> S+ 0 0 35 -3,-0.6 4,-1.4 -4,-0.5 -1,-0.2 0.745 107.6 50.9 -96.0 -27.7 7.1 20.8 55.6 251 109 B V H X S+ 0 0 1 -4,-1.7 4,-2.4 -3,-0.4 -2,-0.2 0.840 109.3 54.2 -75.5 -29.9 6.7 17.0 56.0 252 110 B L H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.950 107.0 49.9 -64.9 -45.9 3.2 17.6 54.3 253 111 B V H X S+ 0 0 0 -4,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.858 111.1 50.5 -60.7 -33.4 5.1 19.4 51.5 254 112 B C H X S+ 0 0 2 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.892 111.4 47.3 -71.6 -39.2 7.4 16.3 51.4 255 113 B V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.878 109.1 52.2 -70.0 -37.6 4.4 13.9 51.2 256 114 B L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.930 113.7 47.1 -63.1 -38.1 2.6 15.9 48.5 257 115 B A H X S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.870 108.7 53.1 -68.1 -43.1 5.9 15.6 46.6 258 116 B H H < S+ 0 0 34 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.917 117.1 38.7 -60.2 -40.9 6.2 12.0 47.3 259 117 B H H < S+ 0 0 80 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.846 120.9 39.9 -79.8 -41.3 2.7 11.4 45.9 260 118 B F H >< S- 0 0 24 -4,-2.8 3,-2.0 1,-0.2 -3,-0.2 0.624 78.8-178.1 -90.3 -11.5 2.7 13.8 42.9 261 119 B G G >< S+ 0 0 13 -4,-1.8 3,-0.7 1,-0.3 -1,-0.2 -0.328 75.2 7.3 54.8-116.6 6.2 13.2 41.7 262 120 B K G 3 S+ 0 0 185 1,-0.2 -1,-0.3 -151,-0.2 -2,-0.1 0.795 123.7 69.6 -65.9 -30.0 6.9 15.5 38.7 263 121 B E G < S+ 0 0 90 -3,-2.0 2,-1.8 1,-0.1 -1,-0.2 0.843 81.1 75.1 -57.2 -40.5 3.5 17.3 39.2 264 122 B F S < S- 0 0 0 -3,-0.7 -1,-0.1 -7,-0.2 -153,-0.0 -0.641 80.0-178.8 -77.7 86.2 4.7 19.0 42.4 265 123 B T >> - 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0 0 9 -3,-0.4 2,-1.4 -4,-0.2 -3,-0.1 -0.431 69.2-127.6 -69.9 129.0 22.7 50.2 83.3 450 19 D N >> - 0 0 80 -2,-0.2 3,-1.9 1,-0.2 4,-1.4 -0.682 19.4-159.1 -78.5 94.7 25.6 51.9 81.7 451 20 D V T 34 S+ 0 0 73 -2,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.115 86.5 52.9 -66.9 25.6 23.6 53.3 78.8 452 21 D D T 34 S+ 0 0 104 -2,-0.5 -1,-0.3 43,-0.0 44,-0.1 0.438 116.7 24.6-137.5 -14.9 27.0 53.6 76.9 453 22 D E T X> S+ 0 0 78 -3,-1.9 4,-1.2 42,-0.1 3,-0.6 0.697 105.1 65.7-121.6 -44.7 28.6 50.1 77.1 454 23 D V H 3X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 3,-0.3 0.825 100.8 54.8 -52.3 -37.9 25.9 47.3 77.5 455 24 D G H 3> S+ 0 0 6 -5,-0.4 4,-1.8 1,-0.2 5,-0.3 0.882 108.8 48.1 -65.2 -38.3 24.4 48.0 74.1 456 25 D G H <> S+ 0 0 6 -3,-0.6 4,-0.9 1,-0.2 -1,-0.2 0.675 110.5 51.4 -75.5 -21.5 27.8 47.6 72.5 457 26 D E H X S+ 0 0 30 -4,-1.2 4,-2.9 -3,-0.3 -2,-0.2 0.861 109.7 50.4 -82.6 -35.2 28.4 44.3 74.3 458 27 D A H X S+ 0 0 5 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.991 119.1 33.9 -64.0 -62.9 25.0 42.9 73.3 459 28 D L H X S+ 0 0 5 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.864 120.1 53.9 -61.4 -37.0 25.4 43.6 69.5 460 29 D G H X S+ 0 0 0 -4,-0.9 4,-0.7 -5,-0.3 -1,-0.2 0.917 110.7 43.7 -64.1 -46.6 29.1 43.0 69.8 461 30 D R H X S+ 0 0 3 -4,-2.9 4,-3.2 2,-0.2 5,-0.3 0.779 109.4 59.9 -69.8 -28.8 28.7 39.5 71.4 462 31 D L H X S+ 0 0 9 -4,-2.0 4,-2.5 1,-0.2 7,-0.2 0.980 106.1 45.9 -62.4 -51.5 25.9 38.8 68.8 463 32 D L H < S+ 0 0 0 -4,-2.2 7,-0.3 1,-0.2 -1,-0.2 0.658 118.9 44.1 -64.9 -19.7 28.3 39.2 65.9 464 33 D V H < S+ 0 0 22 -4,-0.7 -2,-0.2 -5,-0.1 -1,-0.2 0.873 117.8 39.3 -91.3 -47.2 30.9 37.1 67.8 465 34 D V H < S+ 0 0 10 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.770 128.8 32.9 -74.6 -30.8 28.7 34.2 69.1 466 35 D Y S >< S- 0 0 25 -4,-2.5 3,-1.8 -5,-0.3 -1,-0.3 -0.727 75.7-170.1-128.7 79.6 26.6 34.0 65.9 467 36 D P G > S+ 0 0 26 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.686 76.4 71.5 -46.8 -29.6 29.1 35.0 63.0 468 37 D W G 3 S+ 0 0 44 1,-0.3 -374,-0.1 2,-0.2 4,-0.1 0.419 82.9 72.0 -69.1 -3.4 26.4 35.2 60.3 469 38 D T G X S+ 0 0 5 -3,-1.8 3,-1.1 -7,-0.2 -1,-0.3 0.679 82.4 70.1 -84.8 -17.7 25.1 38.4 61.9 470 39 D Q G X S+ 0 0 16 -3,-1.9 3,-1.8 -7,-0.3 -2,-0.2 0.775 84.1 72.2 -67.0 -27.1 28.3 40.2 60.6 471 40 D R G 3 S+ 0 0 57 -4,-0.3 3,-0.4 1,-0.3 -1,-0.2 0.701 93.8 52.2 -61.0 -26.5 26.7 39.9 57.1 472 41 D F G < S+ 0 0 63 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.392 108.1 55.8 -89.0 -4.4 24.1 42.6 58.0 473 42 D F X + 0 0 31 -3,-1.8 3,-0.8 1,-0.1 -1,-0.2 -0.421 57.8 131.8-128.7 56.8 27.0 44.9 59.1 474 43 D E G > S+ 0 0 148 -3,-0.4 3,-0.8 1,-0.2 -1,-0.1 0.794 72.8 61.1 -75.2 -30.3 29.3 45.1 56.0 475 44 D S G 3 S+ 0 0 91 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.111 87.6 81.3 -83.5 19.2 29.4 48.9 56.4 476 45 D F G < S- 0 0 32 -3,-0.8 14,-0.2 1,-0.3 -1,-0.2 0.295 83.7-143.4-109.9 7.2 30.9 48.5 59.9 477 46 D G < + 0 0 60 -3,-0.8 2,-0.3 13,-0.1 -1,-0.3 -0.465 63.8 28.3 76.2-136.0 34.6 47.9 59.1 478 47 D D + 0 0 97 -2,-0.2 10,-0.1 1,-0.2 0, 0.0 -0.529 54.5 144.9 -70.9 122.7 36.9 45.5 61.0 479 48 D L + 0 0 11 -2,-0.3 6,-0.2 6,-0.0 -1,-0.2 0.211 36.9 111.4-139.4 6.9 35.0 42.6 62.6 480 49 D S S S+ 0 0 85 4,-0.1 -2,-0.0 5,-0.0 3,-0.0 0.801 76.4 35.7 -55.3 -46.8 37.7 39.9 62.2 481 50 D T S > S- 0 0 67 1,-0.1 4,-1.7 0, 0.0 5,-0.2 -0.794 82.6-120.3-110.2 153.8 38.7 39.3 65.9 482 51 D P H > S+ 0 0 42 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.860 118.2 53.5 -60.5 -29.9 36.3 39.4 68.9 483 52 D D H > S+ 0 0 125 1,-0.2 4,-3.4 2,-0.2 5,-0.1 0.874 108.5 48.9 -69.6 -37.7 38.5 42.2 70.3 484 53 D A H > S+ 0 0 19 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.773 111.4 49.6 -72.8 -30.4 38.1 44.2 67.0 485 54 D V H < S+ 0 0 2 -4,-1.7 -2,-0.2 -6,-0.2 -1,-0.2 0.880 116.6 42.2 -74.4 -40.8 34.3 43.6 67.1 486 55 D M H < S+ 0 0 35 -4,-2.3 -2,-0.2 1,-0.2 6,-0.2 0.966 117.0 45.7 -69.8 -50.4 34.2 44.8 70.7 487 56 D G H < S+ 0 0 54 -4,-3.4 -1,-0.2 -5,-0.1 -2,-0.2 0.516 85.6 114.4 -71.2 -8.9 36.6 47.7 70.2 488 57 D N X - 0 0 17 -4,-0.6 4,-1.5 -3,-0.2 3,-0.5 -0.505 60.6-147.1 -68.5 124.6 34.8 48.9 67.0 489 58 D P H > S+ 0 0 92 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.780 96.0 56.3 -63.0 -27.3 33.2 52.4 67.4 490 59 D K H > S+ 0 0 105 -14,-0.2 4,-2.8 2,-0.2 5,-0.3 0.819 104.2 53.0 -75.2 -33.2 30.2 51.6 65.1 491 60 D V H > S+ 0 0 0 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.956 114.4 42.2 -64.6 -49.3 29.3 48.5 67.1 492 61 D K H X S+ 0 0 71 -4,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.860 116.0 50.5 -65.8 -38.9 29.2 50.7 70.3 493 62 D A H >X S+ 0 0 62 -4,-2.2 4,-0.7 2,-0.2 3,-0.5 0.911 114.7 40.8 -68.6 -45.7 27.4 53.5 68.4 494 63 D H H >X S+ 0 0 56 -4,-2.8 4,-1.7 1,-0.2 3,-1.1 0.929 108.0 64.5 -69.5 -41.3 24.7 51.3 66.9 495 64 D G H 3X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.694 94.7 58.4 -54.1 -27.5 24.3 49.5 70.2 496 65 D K H < S+ 0 0 93 -4,-1.6 3,-1.5 1,-0.2 7,-0.2 -0.406 70.3 148.8-105.3 54.4 5.3 50.9 77.0 509 78 D L T 3 + 0 0 14 -3,-0.4 3,-0.3 -2,-0.4 -1,-0.2 0.366 64.6 66.8 -70.0 3.4 5.3 47.2 78.2 510 79 D D T 3 S+ 0 0 123 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.686 115.6 22.2 -92.7 -30.0 1.5 47.3 77.6 511 80 D N <> + 0 0 75 -3,-1.5 4,-1.1 -6,-0.1 -1,-0.2 -0.696 64.5 152.8-142.6 82.3 1.8 47.7 73.9 512 81 D L H > S+ 0 0 8 -3,-0.3 4,-1.4 -2,-0.2 5,-0.1 0.811 73.9 64.8 -77.6 -32.0 5.2 46.5 72.6 513 82 D K H 4 S+ 0 0 99 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.748 104.1 46.0 -63.2 -28.6 3.7 45.7 69.2 514 83 D G H >4 S+ 0 0 35 2,-0.2 3,-1.4 -6,-0.2 4,-0.4 0.942 109.3 49.4 -80.7 -51.5 2.9 49.4 68.5 515 84 D T H 3< S+ 0 0 37 -4,-1.1 3,-0.2 1,-0.3 4,-0.2 0.748 120.6 39.8 -60.2 -24.8 6.1 51.1 69.6 516 85 D F T 3X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.1 -1,-0.3 0.376 82.9 103.9-105.7 1.5 8.0 48.5 67.4 517 86 D A T <4 S+ 0 0 31 -3,-1.4 4,-0.4 1,-0.2 -2,-0.1 0.791 89.8 41.2 -54.3 -30.9 5.5 48.5 64.5 518 87 D T T > S+ 0 0 94 -4,-0.4 4,-1.5 -3,-0.2 3,-0.3 0.798 110.0 57.2 -86.4 -33.8 7.9 50.7 62.5 519 88 D L H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 103.1 54.9 -63.8 -40.7 11.1 48.8 63.6 520 89 D S H X>S+ 0 0 0 -4,-2.4 4,-2.2 51,-0.3 5,-0.5 0.760 104.2 54.4 -64.4 -29.5 9.7 45.5 62.2 521 90 D E H 4>S+ 0 0 109 -4,-0.4 5,-0.6 -3,-0.3 6,-0.3 0.925 110.5 45.7 -70.1 -44.6 9.1 47.1 58.8 522 91 D L H <>S+ 0 0 76 -4,-1.5 5,-1.8 1,-0.2 -2,-0.2 0.918 121.4 37.0 -64.5 -47.0 12.8 48.2 58.6 523 92 D H H <5S+ 0 0 47 -4,-2.3 6,-2.1 3,-0.2 -2,-0.2 0.876 129.3 26.5 -76.1 -39.6 14.2 44.9 59.8 524 93 D C T X5S+ 0 0 0 -4,-2.2 4,-1.7 4,-0.2 -3,-0.2 0.949 122.2 35.1 -88.5 -81.2 11.7 42.5 58.1 525 94 D D T 4 - 0 0 47 -2,-0.6 3,-1.7 1,-0.1 4,-0.4 -0.388 22.7-119.6 -62.4 129.8 15.5 36.1 59.9 531 100 D P T >> S+ 0 0 34 0, 0.0 3,-1.1 0, 0.0 4,-0.7 0.694 108.2 66.0 -41.4 -29.5 13.1 36.1 63.0 532 101 D E H >> S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 3,-1.1 0.898 89.2 63.9 -64.9 -38.3 15.5 33.9 65.0 533 102 D N H <> S+ 0 0 10 -3,-1.7 4,-1.4 1,-0.3 -1,-0.2 0.636 96.8 60.5 -62.3 -12.7 18.2 36.6 65.1 534 103 D F H <> S+ 0 0 25 -3,-1.1 4,-1.6 -4,-0.4 -1,-0.3 0.841 104.7 45.0 -81.9 -38.5 15.8 38.7 67.2 535 104 D R H < S- 0 0 26 -4,-2.4 3,-1.3 1,-0.2 2,-0.3 0.768 78.1-174.8 -96.8 -25.1 25.1 42.6 87.6 550 119 D G G >< S+ 0 0 12 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 -0.516 75.2 6.7 70.5-126.8 26.3 39.1 88.8 551 120 D K G 3 S+ 0 0 175 -2,-0.3 -1,-0.3 1,-0.3 -150,-0.1 0.763 124.3 68.9 -60.3 -26.9 24.3 37.9 91.8 552 121 D E G < S+ 0 0 97 -3,-1.3 2,-2.3 1,-0.2 -1,-0.3 0.856 83.4 73.4 -61.9 -36.4 22.0 40.9 91.5 553 122 D F S < S+ 0 0 0 -3,-1.3 -1,-0.2 -7,-0.2 -3,-0.1 -0.508 81.1 179.6 -81.5 71.8 20.6 39.4 88.3 554 123 D T > - 0 0 53 -2,-2.3 4,-1.6 1,-0.1 3,-0.5 -0.107 43.4 -96.3 -69.8 164.2 18.7 36.7 90.3 555 124 D P H > S+ 0 0 16 0, 0.0 4,-2.6 0, 0.0 3,-0.4 0.930 124.9 48.2 -54.1 -41.7 16.5 34.0 88.7 556 125 D P H > S+ 0 0 53 0, 0.0 4,-0.9 0, 0.0 5,-0.1 0.773 110.0 52.3 -71.0 -23.9 13.3 36.0 89.2 557 126 D V H > S+ 0 0 12 -3,-0.5 4,-1.5 2,-0.2 -4,-0.1 0.758 112.1 46.5 -79.6 -27.0 14.8 39.1 87.7 558 127 D Q H X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.4 5,-0.2 0.944 106.6 58.0 -74.8 -50.0 15.9 37.0 84.6 559 128 D A H X S+ 0 0 1 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.784 110.5 44.1 -47.1 -36.6 12.4 35.4 84.3 560 129 D A H X S+ 0 0 0 -4,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.903 111.0 51.6 -78.4 -46.9 10.9 38.9 84.0 561 130 D Y H X S+ 0 0 2 -4,-1.5 4,-3.1 1,-0.2 -2,-0.2 0.761 105.9 57.9 -63.1 -26.6 13.5 40.2 81.5 562 131 D Q H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.928 103.8 50.1 -69.2 -43.4 12.9 37.1 79.4 563 132 D K H X S+ 0 0 82 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.855 114.9 47.5 -61.0 -35.5 9.2 38.0 79.1 564 133 D V H X S+ 0 0 2 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.983 115.2 40.6 -69.9 -61.3 10.4 41.5 78.1 565 134 D V H X S+ 0 0 4 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.747 115.1 53.8 -62.8 -25.0 13.1 40.4 75.5 566 135 D A H X S+ 0 0 45 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.929 109.2 49.8 -72.2 -43.9 10.7 37.7 74.2 567 136 D G H X S+ 0 0 10 -4,-1.8 4,-0.8 -5,-0.2 -2,-0.2 0.844 107.9 51.0 -62.5 -39.7 8.1 40.4 73.7 568 137 D V H X S+ 0 0 8 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.871 113.5 47.6 -65.9 -36.9 10.4 42.8 71.8 569 138 D A H >X S+ 0 0 3 -4,-1.3 4,-1.3 2,-0.2 3,-0.8 0.953 110.7 48.2 -68.0 -51.2 11.3 39.8 69.5 570 139 D N H 3< S+ 0 0 38 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.657 117.0 46.3 -64.9 -16.1 7.6 38.8 68.9 571 140 D A H 3< S+ 0 0 2 -4,-0.8 -51,-0.3 -5,-0.2 -1,-0.3 0.592 108.1 54.3 -98.5 -21.0 7.0 42.5 68.2 572 141 D L H << S+ 0 0 18 -4,-0.9 -2,-0.2 -3,-0.8 3,-0.2 0.592 111.6 45.9 -86.7 -15.6 10.1 42.9 66.0 573 142 D A S >X S+ 0 0 3 -4,-1.3 4,-1.2 1,-0.1 3,-0.7 0.314 81.8 105.8-107.0 6.5 8.8 40.0 63.8 574 143 D H T 34 S+ 0 0 66 1,-0.3 2,-0.4 2,-0.2 -1,-0.1 0.750 76.3 53.7 -58.4 -32.7 5.2 41.3 63.7 575 144 D K T 34 S+ 0 0 86 -3,-0.2 -50,-0.5 1,-0.2 -1,-0.3 -0.441 111.8 42.3-105.8 56.2 5.5 42.5 60.1 576 145 D Y T <4 0 0 79 -3,-0.7 -2,-0.2 -2,-0.4 -1,-0.2 0.156 360.0 360.0-161.8 -26.3 6.7 39.1 58.7 577 146 D H < 0 0 78 -4,-1.2 -1,-0.2 -296,-0.0 -299,-0.1 -0.505 360.0 360.0 -74.4 360.0 4.3 36.8 60.6