==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 12-NOV-01 1KD2 . COMPND 2 MOLECULE: HEMOGLOBIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.F.COLOMBO,F.A.V.SEIXAS . 574 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25043.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 450 78.4 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 . 15 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 332 57.8 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 0 2 0 0 1 0 2 1 0 4 5 0 3 3 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 0 139 0, 0.0 2,-0.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 126.3 47.5 28.9 13.1 2 2 A L - 0 0 21 71,-0.1 122,-0.0 125,-0.1 0, 0.0 -0.639 360.0-149.9 -75.2 113.4 47.5 31.7 10.6 3 3 A S > - 0 0 47 -2,-0.6 4,-1.9 1,-0.1 3,-0.4 -0.347 31.2 -97.4 -75.7 167.8 50.3 30.8 8.3 4 4 A P H > S+ 0 0 101 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.806 126.7 54.9 -57.6 -28.7 52.3 33.5 6.5 5 5 A A H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.884 106.4 51.6 -69.9 -40.2 50.1 33.1 3.5 6 6 A D H > S+ 0 0 12 -3,-0.4 4,-3.3 2,-0.2 5,-0.2 0.909 108.8 48.8 -61.3 -50.6 46.9 33.6 5.6 7 7 A K H X S+ 0 0 50 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.902 110.7 52.5 -58.4 -40.8 48.2 36.8 7.1 8 8 A T H X S+ 0 0 93 -4,-1.6 4,-1.5 -5,-0.2 -2,-0.2 0.951 113.8 42.6 -58.6 -49.9 49.1 38.1 3.6 9 9 A N H X S+ 0 0 40 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.919 113.6 50.1 -65.8 -44.2 45.6 37.3 2.4 10 10 A V H X S+ 0 0 1 -4,-3.3 4,-2.6 1,-0.3 5,-0.3 0.956 111.9 48.8 -61.0 -45.7 43.8 38.7 5.4 11 11 A K H X S+ 0 0 89 -4,-2.8 4,-0.7 -5,-0.2 -1,-0.3 0.783 112.3 50.7 -64.0 -26.6 45.8 41.9 5.1 12 12 A A H X S+ 0 0 58 -4,-1.5 4,-1.2 -3,-0.2 -2,-0.2 0.960 114.2 40.1 -75.1 -55.6 45.0 42.0 1.4 13 13 A A H >< S+ 0 0 7 -4,-2.8 3,-0.6 1,-0.2 4,-0.3 0.930 116.6 48.9 -59.9 -48.6 41.2 41.7 1.7 14 14 A W H >X S+ 0 0 25 -4,-2.6 3,-1.3 -5,-0.3 4,-1.1 0.819 105.6 60.0 -63.0 -29.8 40.8 43.9 4.8 15 15 A G H 3< S+ 0 0 57 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.877 101.4 54.2 -65.1 -33.5 42.9 46.4 3.0 16 16 A K T << S+ 0 0 118 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.492 97.9 65.9 -80.5 0.8 40.3 46.5 0.3 17 17 A V T X4 S+ 0 0 2 -3,-1.3 3,-1.8 -4,-0.3 -1,-0.2 0.921 71.5 144.9 -84.3 -47.5 37.6 47.2 2.9 18 18 A G G >< S+ 0 0 45 -4,-1.1 3,-2.6 1,-0.3 4,-0.2 -0.066 71.2 1.7 49.5-136.7 38.9 50.7 3.8 19 19 A A G > S+ 0 0 102 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.636 125.9 67.6 -56.4 -15.5 36.4 53.4 4.7 20 20 A H G X> + 0 0 88 -3,-1.8 4,-2.1 1,-0.2 3,-1.2 0.600 69.3 99.4 -82.5 -11.2 33.6 50.9 4.3 21 21 A A H <> S+ 0 0 10 -3,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.815 82.0 50.4 -41.3 -46.9 34.7 48.9 7.3 22 22 A G H <> S+ 0 0 16 -3,-0.5 4,-1.7 1,-0.2 -1,-0.3 0.863 111.1 49.8 -64.0 -35.6 32.0 50.5 9.5 23 23 A E H <> S+ 0 0 123 -3,-1.2 4,-1.8 -4,-0.3 -2,-0.2 0.850 109.3 50.0 -71.8 -38.1 29.4 49.7 6.9 24 24 A Y H X S+ 0 0 19 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.882 108.3 53.0 -69.0 -36.0 30.3 46.1 6.6 25 25 A G H X S+ 0 0 4 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.943 111.8 46.9 -62.8 -44.1 30.2 45.7 10.3 26 26 A A H X S+ 0 0 9 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.812 113.0 47.9 -66.9 -32.2 26.7 47.1 10.3 27 27 A E H X S+ 0 0 39 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.903 109.2 54.0 -74.3 -40.5 25.7 44.9 7.4 28 28 A A H X S+ 0 0 1 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.920 108.7 50.6 -57.0 -45.7 27.1 41.8 9.1 29 29 A L H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.950 110.0 46.8 -59.0 -53.3 25.0 42.7 12.2 30 30 A E H X S+ 0 0 47 -4,-1.8 4,-2.1 1,-0.2 5,-0.2 0.887 111.5 53.2 -56.9 -42.1 21.7 43.0 10.3 31 31 A R H X S+ 0 0 4 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.931 111.3 46.1 -59.8 -43.2 22.4 39.8 8.5 32 32 A M H X S+ 0 0 9 -4,-2.2 4,-2.8 2,-0.2 7,-0.3 0.909 110.9 49.9 -67.6 -44.2 23.0 37.9 11.7 33 33 A F H < S+ 0 0 16 -4,-2.5 7,-0.2 1,-0.2 -1,-0.2 0.894 118.3 41.4 -62.0 -37.9 19.9 39.3 13.6 34 34 A L H < S+ 0 0 90 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.913 121.2 38.7 -75.2 -48.3 17.8 38.4 10.6 35 35 A S H < S+ 0 0 17 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.794 130.5 28.8 -72.3 -35.6 19.3 34.9 9.8 36 36 A F >< + 0 0 41 -4,-2.8 3,-2.3 -5,-0.3 4,-0.3 -0.660 66.6 178.6-129.8 78.0 19.8 33.9 13.4 37 37 A P G > S+ 0 0 46 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.671 74.3 74.7 -56.1 -14.8 17.2 35.6 15.6 38 38 A T G > S+ 0 0 43 1,-0.2 3,-1.5 2,-0.2 4,-0.1 0.804 85.0 67.0 -69.0 -22.7 18.5 33.8 18.7 39 39 A T G X S+ 0 0 3 -3,-2.3 3,-1.6 -7,-0.3 -1,-0.2 0.738 82.4 74.0 -68.6 -22.6 21.5 36.3 18.6 40 40 A K G X S+ 0 0 55 -3,-1.1 3,-1.6 -4,-0.3 -1,-0.3 0.653 73.9 83.9 -66.5 -14.0 19.1 39.2 19.4 41 41 A T G < S+ 0 0 9 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.674 87.5 54.2 -64.3 -13.3 18.9 37.9 23.0 42 42 A Y G < S+ 0 0 23 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.526 107.0 49.6 -97.7 -5.2 22.2 39.8 23.7 43 43 A F X + 0 0 35 -3,-1.6 3,-1.8 -4,-0.2 -1,-0.2 -0.316 57.5 140.4-128.7 49.5 20.9 43.2 22.5 44 44 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.839 75.8 56.0 -61.5 -28.4 17.6 43.7 24.2 45 45 A H T 3 S+ 0 0 129 -3,-0.2 2,-0.2 2,-0.1 -2,-0.0 0.270 92.3 92.5 -84.9 5.2 18.5 47.3 24.7 46 46 A F S < S- 0 0 36 -3,-1.8 2,-0.7 -6,-0.2 -3,-0.1 -0.649 77.8-125.3 -99.5 159.0 19.1 48.0 21.0 47 47 A D - 0 0 88 -2,-0.2 8,-0.5 1,-0.1 7,-0.2 -0.938 28.5-171.2 -96.0 119.5 16.7 49.3 18.4 48 48 A L + 0 0 56 -2,-0.7 3,-0.1 -4,-0.1 -1,-0.1 0.365 37.6 126.2 -99.2 8.6 17.1 46.5 15.9 49 49 A S S > S- 0 0 59 1,-0.2 3,-1.6 2,-0.1 2,-0.2 -0.064 77.8 -74.5 -59.4 161.2 15.1 48.1 13.0 50 50 A H T 3 S+ 0 0 162 1,-0.3 -1,-0.2 5,-0.1 -2,-0.0 -0.424 120.2 7.6 -65.6 122.7 16.7 48.5 9.6 51 51 A G T 3 S+ 0 0 39 -2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.765 86.2 169.4 79.5 26.3 19.2 51.3 9.7 52 52 A S <> - 0 0 6 -3,-1.6 4,-2.3 1,-0.1 -1,-0.2 -0.429 38.6-132.5 -69.7 146.1 19.0 51.8 13.5 53 53 A A H > S+ 0 0 80 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.793 105.8 56.7 -68.6 -34.1 21.8 54.1 14.8 54 54 A Q H > S+ 0 0 83 2,-0.2 4,-2.8 3,-0.2 -1,-0.2 0.937 110.5 44.1 -65.1 -43.8 22.6 51.7 17.6 55 55 A V H > S+ 0 0 4 -8,-0.5 4,-2.9 2,-0.2 5,-0.2 0.994 115.9 45.7 -63.5 -60.5 23.2 48.9 15.1 56 56 A K H X S+ 0 0 117 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.919 114.3 49.7 -47.2 -52.2 25.2 51.2 12.7 57 57 A G H >X S+ 0 0 40 -4,-2.8 4,-1.3 1,-0.2 3,-0.5 0.934 112.8 46.1 -54.1 -49.5 27.2 52.6 15.6 58 58 A H H 3X S+ 0 0 43 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.844 103.6 64.6 -63.5 -33.0 27.9 49.1 16.9 59 59 A G H 3X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.898 103.5 47.5 -57.9 -40.2 28.9 47.9 13.4 60 60 A K H < S+ 0 0 9 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.945 110.0 49.9 -61.8 -50.5 44.5 42.5 11.4 71 71 A A H 3< S+ 0 0 72 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.732 123.9 34.4 -60.0 -23.2 47.2 45.2 12.1 72 72 A H T >< S+ 0 0 85 -4,-0.9 3,-2.9 -3,-0.3 -1,-0.3 0.055 73.7 134.7-119.7 25.0 48.2 42.9 15.0 73 73 A V G X S+ 0 0 10 -3,-1.8 3,-0.7 1,-0.3 -71,-0.1 0.776 74.3 55.8 -46.4 -29.6 47.5 39.5 13.5 74 74 A D G 3 S+ 0 0 125 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.667 118.4 30.3 -78.9 -17.1 50.9 38.4 15.0 75 75 A D G <> S+ 0 0 84 -3,-2.9 4,-2.0 -6,-0.2 3,-0.2 -0.299 74.7 150.2-137.1 47.2 50.1 39.4 18.6 76 76 A M H <> + 0 0 11 -3,-0.7 4,-2.9 1,-0.2 5,-0.3 0.902 66.6 55.1 -50.4 -53.1 46.3 38.8 18.6 77 77 A P H > S+ 0 0 84 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.896 112.5 41.9 -49.4 -50.6 46.0 37.9 22.3 78 78 A N H 4 S+ 0 0 111 -3,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.840 114.7 51.7 -69.5 -33.9 47.7 41.1 23.6 79 79 A A H < S+ 0 0 28 -4,-2.0 3,-0.3 -7,-0.2 -1,-0.2 0.928 118.0 36.2 -70.2 -40.7 45.9 43.3 21.1 80 80 A L H >X S+ 0 0 3 -4,-2.9 4,-2.2 -5,-0.2 3,-1.3 0.443 84.1 117.9 -94.5 4.1 42.4 42.0 22.0 81 81 A S H 3X S+ 0 0 45 -4,-0.7 4,-2.1 1,-0.3 -1,-0.2 0.785 75.0 45.0 -32.4 -62.3 43.2 41.6 25.7 82 82 A A H 3> S+ 0 0 68 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.3 0.788 113.7 50.4 -59.3 -35.8 40.6 44.1 27.0 83 83 A L H <> S+ 0 0 54 -3,-1.3 4,-2.6 2,-0.2 5,-0.3 0.835 106.1 55.8 -72.6 -34.9 37.9 42.8 24.7 84 84 A S H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.949 110.9 44.9 -60.3 -48.2 38.7 39.2 25.9 85 85 A D H X S+ 0 0 61 -4,-2.1 4,-3.1 -5,-0.2 5,-0.4 0.923 111.5 54.4 -59.3 -48.9 38.1 40.4 29.5 86 86 A L H X>S+ 0 0 61 -4,-2.1 4,-2.1 1,-0.2 5,-1.9 0.930 113.2 39.2 -51.9 -55.3 34.9 42.3 28.4 87 87 A H H <>S+ 0 0 38 -4,-2.6 5,-2.4 3,-0.2 6,-0.4 0.865 119.5 47.1 -67.8 -35.7 33.2 39.3 26.8 88 88 A A H <5S+ 0 0 8 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.896 124.7 27.1 -73.9 -39.1 34.3 36.8 29.4 89 89 A H H <5S+ 0 0 112 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.633 134.8 14.9-101.0 -19.0 33.4 38.9 32.5 90 90 A K T <5S+ 0 0 128 -4,-2.1 -3,-0.2 -5,-0.4 -4,-0.1 0.702 127.9 34.9-119.7 -56.9 30.5 41.2 31.5 91 91 A L T - 0 0 10 -2,-0.3 3,-2.1 1,-0.1 4,-0.4 -0.477 27.6-121.7 -65.1 133.7 27.8 32.0 24.5 95 95 A P T >> S+ 0 0 35 0, 0.0 3,-1.3 0, 0.0 4,-0.6 0.722 105.4 67.8 -44.7 -34.6 30.8 30.8 22.3 96 96 A V H >> S+ 0 0 47 1,-0.3 3,-1.0 2,-0.2 4,-0.8 0.838 90.0 65.1 -60.9 -30.0 28.5 29.3 19.6 97 97 A N H <> S+ 0 0 8 -3,-2.1 4,-2.1 1,-0.3 3,-0.3 0.749 87.2 67.6 -66.6 -24.2 27.4 32.8 18.6 98 98 A F H <> S+ 0 0 23 -3,-1.3 4,-2.5 -4,-0.4 -1,-0.3 0.856 97.7 54.4 -64.9 -30.2 30.8 33.8 17.5 99 99 A K H X S+ 0 0 6 -4,-2.6 4,-3.2 1,-0.2 3,-1.7 0.942 111.0 53.3 -59.4 -48.9 32.7 40.5 2.4 110 110 A A H 3< S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.830 110.1 47.5 -55.3 -40.1 31.8 38.0 -0.5 111 111 A A T 3< S+ 0 0 11 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.475 120.9 37.6 -82.4 -4.8 28.9 40.3 -1.6 112 112 A H T <4 S+ 0 0 62 -3,-1.7 -2,-0.2 -4,-0.4 -3,-0.2 0.738 120.6 35.4-117.4 -32.8 31.1 43.4 -1.6 113 113 A L X + 0 0 17 -4,-3.2 4,-1.8 1,-0.1 3,-0.3 -0.488 65.9 160.7-122.5 64.2 34.6 42.4 -2.7 114 114 A P T 4 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.862 73.1 51.2 -52.0 -48.2 33.9 39.8 -5.4 115 115 A A T 4 S+ 0 0 81 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.916 115.7 42.6 -58.6 -43.5 37.2 40.0 -7.2 116 116 A E T 4 S+ 0 0 58 -3,-0.3 2,-2.6 1,-0.2 -1,-0.2 0.731 90.7 86.2 -76.7 -25.8 39.1 39.5 -3.9 117 117 A F < + 0 0 5 -4,-1.8 -1,-0.2 -8,-0.2 -2,-0.0 -0.282 60.8 158.0 -76.4 58.3 37.0 36.8 -2.4 118 118 A T > - 0 0 61 -2,-2.6 4,-3.1 1,-0.1 3,-0.4 -0.359 58.2 -98.5 -77.2 162.4 38.9 34.0 -4.1 119 119 A P H > S+ 0 0 21 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.867 123.7 44.9 -48.7 -43.5 38.7 30.4 -2.7 120 120 A A H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.815 114.0 48.7 -73.5 -32.2 42.1 30.7 -0.9 121 121 A V H > S+ 0 0 14 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.887 109.2 54.3 -71.8 -37.6 41.3 34.2 0.5 122 122 A H H X S+ 0 0 2 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.928 109.3 48.1 -58.9 -46.1 37.9 32.7 1.6 123 123 A A H X S+ 0 0 14 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.950 111.7 49.5 -59.5 -51.0 39.9 30.0 3.5 124 124 A S H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.907 109.7 49.8 -55.0 -50.9 42.2 32.6 5.1 125 125 A L H X S+ 0 0 4 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.866 109.8 51.4 -57.2 -41.0 39.5 34.9 6.3 126 126 A D H X S+ 0 0 19 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.902 111.2 47.4 -65.8 -40.3 37.6 32.0 7.9 127 127 A K H X S+ 0 0 20 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.927 113.6 48.8 -65.1 -44.5 40.7 30.9 9.7 128 128 A F H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.910 110.9 48.6 -60.3 -48.4 41.4 34.4 10.9 129 129 A L H X S+ 0 0 11 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.870 110.9 52.1 -64.2 -32.0 37.8 34.9 12.1 130 130 A A H X S+ 0 0 40 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.889 108.8 50.7 -68.8 -40.9 38.1 31.6 13.9 131 131 A S H X S+ 0 0 32 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.923 110.0 48.8 -62.3 -47.3 41.3 32.8 15.6 132 132 A V H X S+ 0 0 13 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.888 111.6 49.0 -60.5 -42.6 39.7 36.1 16.8 133 133 A S H X S+ 0 0 21 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.928 109.4 53.5 -63.6 -42.4 36.7 34.2 18.2 134 134 A T H X S+ 0 0 98 -4,-2.3 4,-0.7 1,-0.2 3,-0.3 0.894 108.7 50.0 -57.4 -39.9 39.1 31.9 19.9 135 135 A V H < S+ 0 0 15 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.830 110.9 48.1 -68.6 -36.2 40.8 34.9 21.5 136 136 A L H < S+ 0 0 19 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.639 116.4 43.5 -80.0 -16.2 37.6 36.5 22.7 137 137 A T H >< S+ 0 0 35 -4,-1.3 3,-1.4 -3,-0.3 -2,-0.2 0.446 87.3 92.3-107.1 -2.5 36.4 33.2 24.3 138 138 A S T 3< S+ 0 0 70 -4,-0.7 3,-0.4 1,-0.3 -2,-0.1 0.781 85.4 49.2 -66.0 -29.0 39.7 32.2 25.9 139 139 A K T 3 S+ 0 0 72 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.264 77.5 107.2 -96.5 14.7 39.0 33.7 29.3 140 140 A Y < 0 0 15 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.1 0.762 360.0 360.0 -62.3 -31.2 35.5 32.3 29.7 141 141 A R 0 0 93 -3,-0.4 -1,-0.1 -4,-0.2 324,-0.1 -0.982 360.0 360.0-164.9 360.0 36.5 29.7 32.4 142 !* 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 V 0 0 72 0, 0.0 2,-0.6 0, 0.0 132,-0.0 0.000 360.0 360.0 360.0 160.7 10.5 24.3 6.2 144 2 B H - 0 0 170 130,-0.0 2,-0.4 6,-0.0 77,-0.0 -0.970 360.0-179.3-111.9 114.3 7.8 27.0 6.2 145 3 B L - 0 0 16 -2,-0.6 126,-0.0 129,-0.0 75,-0.0 -0.892 34.8-112.0-106.7 140.6 8.9 30.0 4.2 146 4 B T >> - 0 0 50 -2,-0.4 4,-3.1 1,-0.1 3,-2.3 -0.487 34.3-107.5 -68.6 151.1 6.5 32.9 4.1 147 5 B P H 3> S+ 0 0 75 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.814 125.0 50.3 -51.2 -29.3 5.1 33.3 0.6 148 6 B E H 34 S+ 0 0 134 2,-0.2 4,-0.2 1,-0.2 -2,-0.0 0.594 111.0 49.1 -84.3 -12.7 7.3 36.4 0.3 149 7 B E H <> S+ 0 0 37 -3,-2.3 4,-1.5 2,-0.2 3,-0.4 0.824 111.5 48.4 -88.8 -41.1 10.3 34.4 1.5 150 8 B K H >X S+ 0 0 94 -4,-3.1 4,-2.7 1,-0.2 3,-0.6 0.954 109.1 52.7 -64.4 -45.0 9.6 31.6 -1.0 151 9 B S H 3X S+ 0 0 54 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.752 108.9 51.6 -63.7 -20.3 9.1 34.0 -3.9 152 10 B A H 34 S+ 0 0 29 -3,-0.4 4,-0.4 -4,-0.2 -1,-0.3 0.793 112.7 44.0 -82.9 -32.7 12.6 35.5 -3.0 153 11 B V H XX S+ 0 0 2 -4,-1.5 4,-2.0 -3,-0.6 3,-1.1 0.956 116.1 47.3 -71.2 -56.1 14.3 32.1 -3.0 154 12 B T H 3X S+ 0 0 86 -4,-2.7 4,-1.4 1,-0.3 -2,-0.2 0.881 109.2 52.9 -52.3 -51.1 12.6 31.0 -6.2 155 13 B A H 3< S+ 0 0 62 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.663 112.5 44.1 -67.1 -17.4 13.3 34.2 -8.1 156 14 B L H X4 S+ 0 0 9 -3,-1.1 3,-1.1 -4,-0.4 4,-0.3 0.733 106.4 60.4 -95.6 -26.7 17.0 34.1 -7.4 157 15 B W H >< S+ 0 0 30 -4,-2.0 3,-1.3 1,-0.3 -2,-0.2 0.832 95.3 63.6 -68.8 -28.2 17.3 30.4 -8.1 158 16 B G T 3< S+ 0 0 72 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.669 100.3 53.2 -67.5 -18.7 16.1 31.1 -11.7 159 17 B K T < S+ 0 0 124 -3,-1.1 -1,-0.3 -4,-0.1 2,-0.3 0.478 88.3 111.7 -93.4 -5.2 19.2 33.2 -12.2 160 18 B V < - 0 0 21 -3,-1.3 2,-1.0 -4,-0.3 3,-0.1 -0.509 58.6-150.7 -80.4 133.9 21.5 30.4 -11.1 161 19 B N > - 0 0 78 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.919 17.6-165.4 -97.5 99.7 23.9 28.5 -13.4 162 20 B V H > S+ 0 0 30 -2,-1.0 4,-3.1 2,-0.2 5,-0.4 0.910 80.4 57.2 -58.5 -43.4 23.9 25.3 -11.5 163 21 B D H > S+ 0 0 89 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.965 115.0 37.3 -52.6 -58.8 26.9 23.8 -13.3 164 22 B E H > S+ 0 0 130 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.903 118.8 46.7 -60.3 -51.4 29.1 26.7 -12.3 165 23 B V H X S+ 0 0 6 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.895 111.7 50.9 -63.0 -41.2 27.7 27.3 -8.8 166 24 B G H X S+ 0 0 2 -4,-3.1 4,-2.0 -5,-0.2 5,-0.3 0.861 111.8 48.3 -64.3 -34.5 27.8 23.7 -7.9 167 25 B G H X S+ 0 0 8 -4,-1.7 4,-1.3 -5,-0.4 -2,-0.2 0.855 113.1 48.3 -72.4 -33.4 31.4 23.5 -9.0 168 26 B E H X S+ 0 0 43 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.917 112.8 47.9 -70.5 -46.3 32.2 26.7 -7.0 169 27 B A H X S+ 0 0 3 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.910 115.4 40.8 -63.5 -51.7 30.4 25.4 -3.8 170 28 B L H X S+ 0 0 7 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.862 115.4 53.4 -68.6 -34.3 32.0 21.9 -3.6 171 29 B G H X S+ 0 0 0 -4,-1.3 4,-1.0 -5,-0.3 -2,-0.2 0.964 110.8 45.2 -64.3 -49.3 35.4 23.3 -4.6 172 30 B R H X S+ 0 0 2 -4,-2.5 4,-3.3 1,-0.2 3,-0.5 0.860 107.8 59.0 -62.7 -35.7 35.3 25.9 -1.8 173 31 B L H X S+ 0 0 8 -4,-2.0 4,-2.1 1,-0.2 7,-0.3 0.939 106.9 46.7 -58.8 -46.9 34.1 23.3 0.7 174 32 B L H < S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 7,-0.2 0.672 118.6 42.4 -68.8 -20.8 37.2 21.2 0.0 175 33 B V H < S+ 0 0 17 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.846 117.6 41.1 -93.1 -43.7 39.5 24.2 0.3 176 34 B V H < S+ 0 0 1 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.915 129.8 29.8 -71.9 -41.9 38.0 26.0 3.3 177 35 B Y S >< S- 0 0 33 -4,-2.1 3,-2.0 -5,-0.4 -1,-0.3 -0.720 73.4-177.5-123.2 83.3 37.5 22.8 5.3 178 36 B P G > S+ 0 0 38 0, 0.0 3,-1.4 0, 0.0 4,-0.1 0.641 73.5 71.7 -52.5 -30.1 40.3 20.4 4.1 179 37 B W G > S+ 0 0 22 1,-0.3 3,-1.6 2,-0.2 4,-0.1 0.782 82.5 71.1 -65.5 -21.8 39.1 17.5 6.2 180 38 B T G X S+ 0 0 1 -3,-2.0 3,-1.3 -7,-0.3 4,-0.3 0.709 78.9 80.7 -68.0 -14.7 36.0 17.0 3.9 181 39 B Q G X + 0 0 36 -3,-1.4 3,-1.6 1,-0.3 -1,-0.3 0.651 65.9 89.0 -64.9 -15.9 38.5 15.7 1.3 182 40 B R G < S+ 0 0 56 -3,-1.6 3,-0.4 1,-0.3 -1,-0.3 0.751 87.6 48.3 -54.2 -31.8 38.5 12.3 3.0 183 41 B F G < S+ 0 0 56 -3,-1.3 -1,-0.3 1,-0.2 3,-0.2 0.630 112.4 51.1 -84.0 -14.6 35.5 11.1 0.9 184 42 B F X + 0 0 29 -3,-1.6 3,-1.1 -4,-0.3 4,-0.2 -0.103 61.1 123.2-119.7 39.1 37.1 12.3 -2.3 185 43 B E G > S+ 0 0 121 -3,-0.4 3,-1.0 1,-0.2 -1,-0.1 0.770 71.6 60.6 -73.4 -22.9 40.6 11.0 -2.6 186 44 B S G 3 S+ 0 0 102 1,-0.2 -1,-0.2 -3,-0.2 3,-0.1 0.507 83.8 83.3 -78.7 -7.0 40.1 9.2 -6.0 187 45 B F G < S- 0 0 32 -3,-1.1 2,-0.4 1,-0.3 14,-0.3 0.711 100.4-125.8 -67.3 -21.7 39.3 12.6 -7.5 188 46 B G < + 0 0 45 -3,-1.0 2,-0.5 -4,-0.2 -1,-0.3 -0.909 64.1 14.2 118.8-143.9 43.0 13.1 -7.8 189 47 B D + 0 0 96 -2,-0.4 10,-0.1 1,-0.1 3,-0.1 -0.655 51.2 154.9 -79.0 119.7 45.2 15.9 -6.7 190 48 B L + 0 0 13 -2,-0.5 6,-0.2 1,-0.1 -1,-0.1 0.125 38.0 114.6-126.3 14.6 43.6 18.2 -4.1 191 49 B S S S+ 0 0 93 4,-0.1 -1,-0.1 5,-0.0 3,-0.1 0.733 76.1 39.8 -62.7 -24.3 46.8 19.4 -2.5 192 50 B T S > S- 0 0 51 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.893 80.7-121.3-127.3 157.6 46.4 23.0 -3.6 193 51 B P H > S+ 0 0 53 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.964 115.9 49.1 -57.2 -49.5 43.4 25.4 -3.9 194 52 B D H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.848 110.3 50.3 -58.0 -38.7 44.0 25.8 -7.7 195 53 B A H > S+ 0 0 22 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.884 112.9 48.1 -67.2 -37.7 44.2 22.0 -8.1 196 54 B V H < S+ 0 0 1 -4,-2.3 3,-0.3 2,-0.2 -2,-0.2 0.955 114.0 44.5 -67.7 -49.8 40.9 21.7 -6.2 197 55 B M H < S+ 0 0 43 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.869 117.4 46.6 -63.3 -35.2 39.2 24.4 -8.2 198 56 B G H < S+ 0 0 47 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.704 81.7 117.9 -80.3 -20.5 40.6 23.0 -11.5 199 57 B N X - 0 0 15 -4,-1.5 4,-1.7 -3,-0.3 3,-0.5 -0.279 52.9-155.2 -55.9 118.8 39.7 19.3 -10.8 200 58 B P H > S+ 0 0 97 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.838 94.0 55.9 -60.6 -40.2 37.2 18.0 -13.4 201 59 B K H > S+ 0 0 112 -14,-0.3 4,-1.8 1,-0.2 5,-0.1 0.819 105.6 54.2 -63.3 -34.3 35.9 15.3 -11.1 202 60 B V H > S+ 0 0 1 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.947 110.8 40.4 -68.8 -53.2 35.1 18.0 -8.5 203 61 B K H X S+ 0 0 85 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.846 114.2 55.1 -67.5 -29.5 33.0 20.3 -10.7 204 62 B A H X S+ 0 0 50 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.925 112.9 42.0 -66.4 -42.5 31.3 17.3 -12.2 205 63 B H H X S+ 0 0 33 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.883 112.5 54.8 -70.0 -37.9 30.4 16.1 -8.7 206 64 B G H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.910 107.0 49.5 -59.8 -43.5 29.4 19.6 -7.7 207 65 B K H X S+ 0 0 93 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.856 111.4 52.2 -61.2 -37.5 27.0 19.9 -10.7 208 66 B K H X S+ 0 0 144 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.939 112.7 42.5 -63.0 -53.4 25.6 16.5 -9.5 209 67 B V H X S+ 0 0 43 -4,-2.6 4,-2.2 1,-0.2 3,-0.2 0.943 115.1 47.6 -61.9 -52.9 25.0 17.6 -5.9 210 68 B L H X S+ 0 0 7 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.760 106.4 60.2 -64.3 -25.5 23.6 21.1 -6.7 211 69 B G H X S+ 0 0 19 -4,-1.1 4,-2.3 -5,-0.3 -1,-0.2 0.939 106.7 45.4 -65.7 -46.0 21.3 19.4 -9.3 212 70 B A H X S+ 0 0 36 -4,-1.5 4,-1.1 -3,-0.2 -2,-0.2 0.949 114.6 48.8 -59.9 -49.4 19.8 17.3 -6.5 213 71 B F H >X S+ 0 0 19 -4,-2.2 4,-1.4 1,-0.2 3,-1.0 0.929 109.1 53.4 -53.2 -52.9 19.5 20.4 -4.3 214 72 B S H >< S+ 0 0 31 -4,-3.0 3,-0.7 1,-0.3 -1,-0.2 0.907 108.0 49.4 -49.2 -51.6 17.9 22.4 -7.1 215 73 B D H >< S+ 0 0 111 -4,-2.3 3,-0.6 1,-0.3 -1,-0.3 0.685 105.8 57.6 -66.3 -20.7 15.2 19.8 -7.6 216 74 B G H X< S+ 0 0 1 -4,-1.1 3,-2.8 -3,-1.0 -1,-0.3 0.796 88.5 74.3 -80.0 -27.8 14.5 19.7 -3.9 217 75 B L T << S+ 0 0 22 -4,-1.4 3,-0.2 -3,-0.7 -1,-0.2 0.524 95.1 53.5 -60.9 -7.2 13.7 23.4 -3.9 218 76 B A T < S+ 0 0 73 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.2 0.349 105.0 52.9-105.5 -2.8 10.4 22.5 -5.7 219 77 B H X + 0 0 87 -3,-2.8 3,-2.6 1,-0.1 7,-0.2 -0.076 66.0 134.3-122.8 34.3 9.5 20.0 -3.0 220 78 B L G > + 0 0 25 1,-0.3 3,-0.6 -3,-0.2 -1,-0.1 0.799 66.6 64.4 -52.5 -33.0 9.9 22.5 -0.2 221 79 B D G 3 S+ 0 0 146 1,-0.3 -1,-0.3 -3,-0.2 2,-0.1 0.697 120.6 17.5 -65.7 -22.3 6.6 21.3 1.2 222 80 B N G <> + 0 0 80 -3,-2.6 4,-1.5 -6,-0.2 -1,-0.3 -0.524 64.3 155.4-155.9 77.5 8.1 17.9 1.8 223 81 B L H <> S+ 0 0 7 -3,-0.6 4,-2.0 2,-0.2 -3,-0.1 0.726 75.1 63.1 -76.6 -21.8 11.9 17.7 1.9 224 82 B K H > S+ 0 0 95 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.919 109.3 37.6 -70.4 -45.5 12.0 14.6 4.0 225 83 B G H 4 S+ 0 0 43 2,-0.2 3,-0.4 1,-0.2 4,-0.4 0.880 114.3 57.1 -72.6 -37.9 10.2 12.5 1.5 226 84 B T H < S+ 0 0 49 -4,-1.5 4,-0.2 -7,-0.2 -2,-0.2 0.896 119.7 29.5 -60.2 -37.8 12.1 14.1 -1.3 227 85 B F H X S+ 0 0 6 -4,-2.0 4,-2.6 1,-0.1 -1,-0.2 0.392 87.5 107.8-104.4 4.2 15.5 13.2 0.2 228 86 B A H X S+ 0 0 18 -4,-0.7 4,-1.6 -3,-0.4 -1,-0.1 0.868 85.5 39.9 -47.5 -49.6 14.5 10.0 2.0 229 87 B T H > S+ 0 0 106 -4,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.889 114.9 51.0 -72.4 -38.1 16.4 7.7 -0.4 230 88 B L H > S+ 0 0 64 -4,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.840 107.9 56.0 -66.5 -32.7 19.4 9.9 -0.8 231 89 B S H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.922 106.2 48.6 -64.3 -44.1 19.6 10.1 3.1 232 90 B E H X>S+ 0 0 80 -4,-1.6 4,-2.3 -5,-0.2 5,-0.5 0.850 110.7 53.3 -63.7 -36.4 19.8 6.3 3.3 233 91 B L H X>S+ 0 0 68 -4,-1.7 5,-2.4 1,-0.2 4,-1.2 0.872 108.5 46.4 -67.9 -41.6 22.5 6.4 0.7 234 92 B H H <>S+ 0 0 37 -4,-2.1 6,-2.9 3,-0.2 5,-0.5 0.841 120.4 41.3 -71.4 -28.7 24.7 8.9 2.5 235 93 B C H <5S+ 0 0 8 -4,-1.9 4,-0.3 4,-0.2 -2,-0.2 0.987 125.3 27.7 -77.4 -64.9 24.3 7.0 5.7 236 94 B D H <5S+ 0 0 84 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.1 0.788 134.7 22.4 -72.8 -33.1 24.5 3.3 4.7 237 95 B K T < - 0 0 3 -2,-0.6 3,-2.1 1,-0.2 4,-0.2 -0.541 18.3-134.2 -65.4 125.0 28.7 12.6 8.6 242 100 B P T >> S+ 0 0 1 0, 0.0 3,-1.5 0, 0.0 4,-1.0 0.690 98.6 79.1 -56.4 -21.7 25.7 14.9 8.3 243 101 B E H 3> S+ 0 0 41 1,-0.3 4,-1.8 2,-0.2 3,-0.1 0.796 85.5 63.9 -58.4 -23.7 27.7 17.8 9.8 244 102 B N H <> S+ 0 0 13 -3,-2.1 4,-2.4 1,-0.2 -1,-0.3 0.771 92.8 59.4 -69.8 -29.6 29.1 18.0 6.2 245 103 B F H <> S+ 0 0 21 -3,-1.5 4,-2.2 -4,-0.2 -1,-0.2 0.861 106.8 48.3 -66.6 -37.3 25.7 19.0 4.9 246 104 B R H X S+ 0 0 101 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.927 110.2 50.5 -68.4 -46.7 25.7 22.0 7.2 247 105 B L H X S+ 0 0 23 -4,-1.8 4,-2.4 2,-0.2 3,-0.3 0.965 113.1 46.1 -55.0 -54.2 29.2 23.0 6.1 248 106 B L H X S+ 0 0 38 -4,-2.4 4,-3.4 1,-0.2 5,-0.2 0.915 108.4 57.0 -55.8 -45.1 28.3 22.8 2.4 249 107 B G H X S+ 0 0 8 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.877 110.2 43.4 -54.7 -42.8 25.1 24.7 3.0 250 108 B N H X S+ 0 0 53 -4,-2.1 4,-1.6 -3,-0.3 -1,-0.2 0.879 112.5 52.5 -72.2 -36.6 27.0 27.6 4.5 251 109 B V H X S+ 0 0 2 -4,-2.4 4,-1.7 -5,-0.2 3,-0.3 0.942 108.9 52.1 -61.7 -44.0 29.6 27.5 1.8 252 110 B L H X S+ 0 0 5 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4,-2.8 2,-0.2 -2,-0.2 0.897 110.2 53.5 -71.9 -37.5 35.6 3.3 30.8 314 25 C G H X S+ 0 0 5 -4,-3.5 4,-2.0 -5,-0.2 -2,-0.2 0.935 110.6 46.9 -62.7 -43.8 36.9 4.2 27.4 315 26 C A H X S+ 0 0 9 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.939 112.5 49.5 -61.9 -47.8 35.0 1.3 25.8 316 27 C E H X S+ 0 0 34 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.928 107.9 53.8 -57.4 -47.4 31.8 2.3 27.7 317 28 C A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.904 109.2 50.0 -53.3 -45.5 32.2 5.9 26.6 318 29 C L H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.914 110.5 47.8 -62.3 -44.9 32.4 4.8 23.0 319 30 C E H X S+ 0 0 49 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.880 110.0 53.5 -65.5 -35.1 29.3 2.6 23.3 320 31 C R H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.867 111.2 46.6 -64.5 -37.8 27.4 5.5 24.9 321 32 C M H X S+ 0 0 9 -4,-1.9 4,-2.7 -5,-0.2 7,-0.3 0.877 108.1 53.5 -72.5 -42.5 28.3 7.8 22.0 322 33 C F H < S+ 0 0 15 -4,-2.3 7,-0.2 1,-0.2 -2,-0.2 0.917 116.5 40.7 -60.2 -39.3 27.4 5.3 19.3 323 34 C L H < S+ 0 0 73 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.850 122.0 37.7 -76.1 -43.9 23.9 4.9 20.9 324 35 C S H < S+ 0 0 18 -4,-2.1 -3,-0.2 1,-0.2 -2,-0.2 0.815 128.8 33.0 -79.3 -32.1 23.2 8.5 21.8 325 36 C F >< + 0 0 32 -4,-2.7 3,-2.2 -5,-0.2 4,-0.3 -0.693 66.4 179.1-128.6 81.3 24.8 10.0 18.7 326 37 C P G > S+ 0 0 46 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.683 75.8 69.4 -52.2 -29.0 24.3 7.6 15.7 327 38 C T G > S+ 0 0 38 1,-0.2 3,-1.4 2,-0.2 4,-0.2 0.748 86.1 68.7 -66.1 -22.3 26.1 9.9 13.3 328 39 C T G X S+ 0 0 3 -3,-2.2 3,-1.4 -7,-0.3 -1,-0.2 0.779 83.6 72.5 -70.5 -19.8 29.4 9.2 15.1 329 40 C K G X S+ 0 0 56 -3,-1.2 3,-1.7 -4,-0.3 -1,-0.3 0.716 75.0 82.7 -67.9 -15.8 29.2 5.7 13.7 330 41 C T G < S+ 0 0 8 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.732 87.8 54.3 -62.1 -18.2 30.0 7.0 10.2 331 42 C Y G < S+ 0 0 24 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.510 107.3 49.8 -93.0 -7.7 33.8 7.0 11.2 332 43 C F X + 0 0 34 -3,-1.7 3,-0.6 -4,-0.2 -1,-0.2 -0.456 61.6 135.9-126.5 58.4 33.8 3.3 12.2 333 44 C P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.556 76.1 54.1 -83.2 -4.1 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20.4 37.7 459 28 D L H X S+ 0 0 7 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.867 111.1 51.8 -66.2 -38.6 21.2 24.2 38.0 460 29 D G H X S+ 0 0 0 -4,-1.0 4,-1.5 -5,-0.3 -2,-0.2 0.948 110.8 45.4 -64.2 -49.4 24.2 24.6 40.4 461 30 D R H X S+ 0 0 6 -4,-2.1 4,-3.3 2,-0.2 5,-0.4 0.822 109.0 57.8 -63.6 -32.4 26.6 22.6 38.2 462 31 D L H X S+ 0 0 9 -4,-1.7 4,-2.3 1,-0.2 7,-0.3 0.949 109.4 44.6 -60.8 -48.0 25.5 24.5 35.1 463 32 D L H < S+ 0 0 0 -4,-1.9 7,-0.2 1,-0.2 -1,-0.2 0.751 119.2 43.6 -67.0 -27.3 26.4 27.8 36.9 464 33 D V H < S+ 0 0 24 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.839 119.1 39.3 -86.0 -40.4 29.7 26.2 38.0 465 34 D V H < S+ 0 0 2 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.851 128.7 29.8 -80.7 -37.0 30.8 24.4 34.8 466 35 D Y S >< S- 0 0 27 -4,-2.3 3,-2.5 -5,-0.4 -1,-0.3 -0.689 73.9-179.4-123.7 76.0 29.7 27.1 32.3 467 36 D P G > S+ 0 0 34 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.623 71.7 73.7 -54.5 -16.5 30.1 30.3 34.4 468 37 D W G > S+ 0 0 24 1,-0.3 3,-1.8 2,-0.2 -5,-0.1 0.795 82.5 71.4 -71.1 -20.2 28.9 32.5 31.6 469 38 D T G X S+ 0 0 2 -3,-2.5 3,-1.3 -7,-0.3 -1,-0.3 0.699 78.9 78.1 -66.4 -16.8 25.4 31.2 32.3 470 39 D Q G X + 0 0 35 -3,-1.4 3,-2.5 1,-0.3 -1,-0.3 0.734 65.4 92.7 -65.6 -16.9 25.6 33.3 35.6 471 40 D R G < S+ 0 0 60 -3,-1.8 3,-0.3 1,-0.3 -1,-0.3 0.661 86.1 49.2 -53.2 -15.5 24.9 36.4 33.5 472 41 D F G < S+ 0 0 52 -3,-1.3 -1,-0.3 1,-0.2 3,-0.2 0.548 104.7 57.7-101.5 -9.4 21.1 35.8 34.2 473 42 D F X + 0 0 29 -3,-2.5 3,-1.1 -4,-0.2 -1,-0.2 -0.212 54.2 124.9-117.7 45.8 21.3 35.4 38.0 474 43 D E G > S+ 0 0 151 -3,-0.3 3,-0.5 1,-0.2 -1,-0.1 0.639 75.4 60.7 -77.2 -12.4 23.0 38.5 39.5 475 44 D S G 3 S+ 0 0 87 -3,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.478 89.1 75.8 -85.4 -7.2 20.0 39.0 41.8 476 45 D F G < S- 0 0 34 -3,-1.1 2,-0.4 1,-0.3 14,-0.3 0.535 95.3-140.4 -81.7 -11.4 20.8 35.6 43.3 477 46 D G < + 0 0 52 -3,-0.5 2,-0.6 -4,-0.1 -1,-0.3 -0.709 60.9 26.7 95.9-136.7 23.8 36.9 45.2 478 47 D D + 0 0 91 -2,-0.4 3,-0.1 1,-0.1 10,-0.1 -0.578 49.3 151.2 -75.4 113.6 27.1 35.2 45.7 479 48 D L + 0 0 17 -2,-0.6 6,-0.2 1,-0.1 -1,-0.1 0.066 37.1 117.9-126.0 22.3 28.1 32.8 43.0 480 49 D S S S+ 0 0 91 4,-0.1 -1,-0.1 5,-0.1 3,-0.1 0.692 73.5 27.4 -65.4 -28.4 31.8 33.3 43.4 481 50 D T S > S- 0 0 70 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.896 83.4-108.4-132.8 164.4 32.8 29.8 44.4 482 51 D P H > S+ 0 0 47 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.939 121.3 46.6 -57.7 -44.1 31.4 26.3 43.8 483 52 D D H > S+ 0 0 139 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.834 111.4 52.1 -66.1 -35.1 30.2 26.0 47.4 484 53 D A H > S+ 0 0 18 2,-0.2 4,-0.6 3,-0.1 -1,-0.2 0.906 114.3 43.1 -66.8 -43.1 28.7 29.4 47.2 485 54 D V H >< S+ 0 0 2 -4,-2.7 3,-0.8 -6,-0.2 -2,-0.2 0.981 117.8 44.5 -65.1 -55.7 26.8 28.4 44.0 486 55 D M H 3< S+ 0 0 31 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.830 117.9 41.4 -59.3 -43.0 25.7 25.0 45.2 487 56 D G H 3< S+ 0 0 44 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.500 83.6 124.6 -85.5 -4.3 24.6 26.0 48.7 488 57 D N S+ 0 0 101 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.727 96.9 50.2 -56.7 -28.1 19.2 29.0 48.6 490 59 D K H > S+ 0 0 116 -14,-0.3 4,-1.9 2,-0.2 5,-0.2 0.852 111.0 48.1 -79.5 -37.6 18.1 31.1 45.6 491 60 D V H > S+ 0 0 0 -3,-0.3 4,-2.5 -15,-0.2 5,-0.2 0.973 115.1 47.4 -63.9 -50.3 20.0 28.8 43.2 492 61 D K H X S+ 0 0 114 -4,-3.1 4,-1.5 1,-0.2 -2,-0.2 0.913 110.7 49.2 -57.3 -49.7 18.4 25.8 44.9 493 62 D A H X S+ 0 0 61 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.858 113.6 48.0 -60.7 -35.5 14.9 27.3 44.9 494 63 D H H X S+ 0 0 49 -4,-1.9 4,-2.4 1,-0.2 3,-0.3 0.881 105.9 56.0 -73.9 -39.2 15.1 28.1 41.2 495 64 D G H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.837 106.7 51.0 -61.6 -33.4 16.5 24.7 40.2 496 65 D K H X S+ 0 0 105 -4,-1.5 4,-1.4 -5,-0.2 -1,-0.2 0.806 110.4 49.5 -73.1 -28.7 13.5 22.9 41.8 497 66 D K H X S+ 0 0 147 -4,-0.9 4,-1.8 -3,-0.3 -2,-0.2 0.893 111.9 48.1 -75.4 -43.2 11.1 25.3 39.8 498 67 D V H X S+ 0 0 48 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.947 115.9 43.1 -63.8 -50.1 12.9 24.6 36.5 499 68 D L H X S+ 0 0 9 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.812 107.5 60.4 -67.9 -31.8 12.9 20.8 37.1 500 69 D G H X S+ 0 0 25 -4,-1.4 4,-1.1 2,-0.2 -1,-0.2 0.950 108.9 44.2 -58.9 -46.0 9.3 20.9 38.3 501 70 D A H >X S+ 0 0 30 -4,-1.8 4,-1.5 1,-0.2 3,-1.1 0.957 110.4 54.2 -61.8 -51.3 8.3 22.3 34.9 502 71 D F H >X S+ 0 0 22 -4,-2.3 4,-2.0 1,-0.3 3,-0.7 0.902 103.5 58.2 -48.9 -47.0 10.5 19.8 33.1 503 72 D S H 3< S+ 0 0 23 -4,-2.7 4,-0.3 1,-0.3 -1,-0.3 0.827 103.7 50.4 -55.3 -38.1 8.7 17.0 34.9 504 73 D D H X< S+ 0 0 106 -4,-1.1 3,-0.9 -3,-1.1 -1,-0.3 0.785 104.4 58.0 -72.0 -27.1 5.3 18.1 33.5 505 74 D G H X< S+ 0 0 0 -4,-1.5 3,-2.9 -3,-0.7 6,-0.2 0.950 97.7 63.4 -63.9 -42.5 6.8 18.2 30.0 506 75 D L T 3< S+ 0 0 20 -4,-2.0 3,-0.5 1,-0.3 -1,-0.3 0.652 95.3 58.2 -55.5 -19.5 7.6 14.5 30.7 507 76 D A T < S+ 0 0 76 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.361 111.0 43.5 -93.1 6.3 3.9 13.8 30.9 508 77 D H X + 0 0 88 -3,-2.9 3,-3.2 1,-0.1 -1,-0.2 -0.196 58.8 149.7-143.0 47.7 3.4 15.1 27.4 509 78 D L T 3 S+ 0 0 11 -3,-0.5 3,-0.4 1,-0.3 -3,-0.1 0.717 81.8 53.0 -55.0 -21.1 6.2 13.8 25.3 510 79 D D T 3 S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.1 3,-0.0 0.392 117.4 36.1 -92.7 -1.3 3.7 13.9 22.4 511 80 D N <> + 0 0 88 -3,-3.2 4,-2.5 -6,-0.2 -1,-0.2 -0.195 68.8 133.9-147.3 47.5 2.9 17.6 23.0 512 81 D L H > S+ 0 0 12 -3,-0.4 4,-2.9 2,-0.2 5,-0.2 0.921 74.7 52.3 -66.7 -45.1 6.1 19.3 24.1 513 82 D K H > S+ 0 0 119 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.964 115.0 42.5 -56.6 -52.5 5.7 22.3 21.9 514 83 D G H >4 S+ 0 0 42 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.898 113.3 52.9 -60.0 -42.1 2.3 22.9 23.2 515 84 D T H 3< S+ 0 0 40 -4,-2.5 3,-0.3 1,-0.2 4,-0.2 0.936 118.7 34.3 -60.0 -47.5 3.3 22.2 26.8 516 85 D F H 3X S+ 0 0 7 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.359 86.3 108.5 -93.1 8.9 6.2 24.7 26.8 517 86 D A H S+ 0 0 110 -4,-0.4 4,-1.7 -3,-0.3 -1,-0.2 0.832 114.3 51.9 -66.5 -32.5 4.0 29.9 27.2 519 88 D L H > S+ 0 0 53 -4,-0.2 4,-2.6 2,-0.2 5,-0.2 0.862 105.4 56.8 -71.5 -34.1 7.4 29.4 28.8 520 89 D S H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.933 107.4 46.9 -62.2 -46.2 9.1 29.8 25.4 521 90 D E H X>S+ 0 0 82 -4,-1.6 4,-2.4 -5,-0.2 5,-0.6 0.932 111.7 52.9 -62.6 -41.2 7.6 33.2 24.9 522 91 D L H X>S+ 0 0 83 -4,-1.7 5,-2.2 1,-0.2 4,-1.8 0.950 110.4 44.6 -60.0 -52.9 8.6 34.2 28.5 523 92 D H H <>S+ 0 0 40 -4,-2.6 6,-2.2 3,-0.2 5,-1.2 0.827 120.7 42.7 -63.9 -28.4 12.3 33.2 28.1 524 93 D C H <5S+ 0 0 9 -4,-1.9 4,-0.3 -5,-0.2 -2,-0.2 0.985 125.4 25.9 -78.7 -67.2 12.4 34.9 24.7 525 94 D D H <5S+ 0 0 73 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.837 135.7 24.2 -69.0 -40.0 10.5 38.2 25.1 526 95 D K T < - 0 0 3 -2,-0.6 3,-2.5 1,-0.2 4,-0.3 -0.491 20.9-128.8 -60.3 123.9 19.8 32.4 24.5 531 100 D P T >> S+ 0 0 2 0, 0.0 3,-1.3 0, 0.0 4,-1.0 0.668 101.5 79.2 -49.4 -25.6 18.3 28.9 23.7 532 101 D E H >> S+ 0 0 42 1,-0.3 4,-1.9 2,-0.2 3,-0.6 0.861 83.8 66.1 -53.9 -31.7 21.8 27.4 23.8 533 102 D N H <> S+ 0 0 13 -3,-2.5 4,-2.1 1,-0.2 -1,-0.3 0.833 94.4 55.4 -59.3 -34.8 21.4 27.6 27.5 534 103 D F H <> S+ 0 0 27 -3,-1.3 4,-1.4 -4,-0.3 -1,-0.2 0.822 107.4 49.6 -67.7 -34.8 18.6 24.9 27.5 535 104 D R H < S- 0 0 21 -4,-2.3 3,-2.3 -5,-0.2 -2,-0.2 0.566 84.4-173.6 -92.6 -9.3 21.8 6.3 39.3 550 119 D G G >< S+ 0 0 18 -4,-1.8 3,-2.9 1,-0.3 -1,-0.2 -0.174 71.4 0.3 53.9-137.3 25.2 4.8 38.6 551 120 D K G 3 S+ 0 0 147 1,-0.3 -1,-0.3 -151,-0.2 -150,-0.1 0.683 122.9 75.0 -59.9 -11.4 25.2 1.6 36.6 552 121 D E G < S+ 0 0 83 -3,-2.3 2,-1.4 1,-0.2 -1,-0.3 0.693 80.7 75.4 -73.0 -16.4 21.4 1.9 36.5 553 122 D F S < S- 0 0 0 -3,-2.9 -1,-0.2 -7,-0.2 -153,-0.1 -0.685 79.6-176.8 -96.1 77.3 22.0 4.7 33.9 554 123 D T >> - 0 0 52 -2,-1.4 4,-2.5 1,-0.1 3,-0.9 -0.305 40.6-100.9 -73.3 161.5 22.9 2.3 31.1 555 124 D P H 3> S+ 0 0 19 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.882 123.8 49.0 -51.0 -44.1 24.0 3.3 27.6 556 125 D P H 3> S+ 0 0 74 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.783 110.7 50.8 -70.4 -24.0 20.5 2.7 26.1 557 126 D V H <> S+ 0 0 22 -3,-0.9 4,-2.2 2,-0.2 3,-0.2 0.905 108.6 50.9 -77.9 -40.9 18.8 4.7 28.9 558 127 D Q H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.955 105.5 57.2 -57.9 -50.6 21.1 7.7 28.4 559 128 D A H X S+ 0 0 9 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.856 108.1 47.1 -49.8 -38.9 20.3 7.6 24.6 560 129 D A H X S+ 0 0 0 -4,-1.0 4,-1.9 -3,-0.2 3,-0.3 0.929 111.1 50.4 -71.5 -42.2 16.6 7.9 25.5 561 130 D Y H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.864 106.0 56.8 -63.4 -34.0 17.2 10.8 27.9 562 131 D Q H X S+ 0 0 16 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.847 106.4 49.0 -65.7 -35.3 19.3 12.6 25.3 563 132 D K H X S+ 0 0 61 -4,-1.1 4,-2.1 -3,-0.3 -1,-0.2 0.889 113.1 49.8 -70.3 -35.8 16.3 12.5 22.9 564 133 D V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.952 111.2 44.8 -68.5 -49.6 14.2 13.8 25.7 565 134 D V H X S+ 0 0 9 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.854 113.4 52.6 -64.5 -31.4 16.4 16.7 26.8 566 135 D A H X S+ 0 0 46 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.929 109.0 50.4 -67.1 -43.1 16.9 17.6 23.1 567 136 D G H X S+ 0 0 11 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.901 110.3 48.7 -62.4 -40.3 13.1 17.7 22.7 568 137 D V H X S+ 0 0 8 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.914 110.3 51.4 -67.7 -39.2 12.7 19.9 25.7 569 138 D A H X S+ 0 0 3 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.910 111.5 47.4 -63.4 -42.6 15.3 22.3 24.4 570 139 D N H X S+ 0 0 81 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.867 111.3 50.6 -66.8 -38.1 13.7 22.5 21.0 571 140 D A H >< S+ 0 0 2 -4,-2.0 3,-0.5 1,-0.2 4,-0.3 0.900 109.5 50.4 -68.1 -38.5 10.2 23.1 22.5 572 141 D L H 3< S+ 0 0 21 -4,-2.4 -1,-0.2 1,-0.2 3,-0.2 0.708 114.5 45.4 -72.0 -19.5 11.5 25.9 24.7 573 142 D A H >< S+ 0 0 20 -4,-1.0 3,-1.7 -5,-0.2 -1,-0.2 0.542 86.8 91.2-100.3 -6.2 13.1 27.6 21.8 574 143 D H T << S+ 0 0 65 -4,-0.8 -1,-0.1 -3,-0.5 -2,-0.1 0.710 85.0 51.0 -63.5 -25.9 10.2 27.3 19.3 575 144 D K T 3 S+ 0 0 78 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.361 82.2 121.3 -94.0 6.9 8.6 30.6 20.1 576 145 D Y < 0 0 27 -3,-1.7 -538,-0.1 -52,-0.1 -55,-0.1 -0.466 360.0 360.0 -72.8 142.7 11.8 32.6 19.7 577 146 D H 0 0 126 -540,-0.2 -537,-0.1 -2,-0.2 -2,-0.0 -0.837 360.0 360.0-150.5 360.0 11.8 35.3 17.1