==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE, OXYGEN TRANSPORT 03-AUG-07 2QU0 . COMPND 2 MOLECULE: HEMOGLOBIN SUBUNIT ALPHA-1/2; . SOURCE 2 ORGANISM_SCIENTIFIC: OVIS ARIES; . AUTHOR K.NEELAGANDAN,PON.SATHYA MOORTHY,M.BALASUBRAMANIAN, . 572 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25533.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 459 80.2 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 . 95 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 332 58.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 1 1 0 1 1 0 1 1 1 3 5 0 2 6 2 1 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 0 105 0, 0.0 2,-0.7 0, 0.0 428,-0.1 0.000 360.0 360.0 360.0 -32.4 -4.0 19.5 55.7 2 2 A L - 0 0 46 71,-0.1 122,-0.0 4,-0.1 126,-0.0 -0.722 360.0-150.4 -75.1 111.6 -6.1 21.8 57.9 3 3 A S > - 0 0 27 -2,-0.7 4,-1.7 1,-0.1 5,-0.1 -0.000 28.4 -99.8 -71.3-177.2 -7.1 19.6 60.8 4 4 A A H > S+ 0 0 86 2,-0.2 4,-2.0 1,-0.1 5,-0.2 0.933 125.5 54.2 -68.6 -43.0 -10.3 20.0 62.8 5 5 A A H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.933 108.9 47.8 -55.5 -47.4 -8.3 21.8 65.5 6 6 A D H > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.926 106.8 56.4 -58.2 -48.0 -6.9 24.3 62.9 7 7 A K H X S+ 0 0 70 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.915 111.3 44.8 -51.3 -47.4 -10.3 25.0 61.4 8 8 A S H X S+ 0 0 75 -4,-2.0 4,-3.3 2,-0.2 -1,-0.2 0.859 110.0 52.2 -62.3 -45.1 -11.7 26.0 64.8 9 9 A N H X S+ 0 0 45 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.896 112.5 45.3 -66.0 -44.1 -8.8 28.1 65.9 10 10 A V H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.4 0.958 115.8 47.1 -59.6 -54.9 -8.9 30.2 62.7 11 11 A K H X S+ 0 0 107 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.919 116.6 45.7 -48.8 -47.8 -12.7 30.5 63.0 12 12 A A H X S+ 0 0 51 -4,-3.3 4,-1.6 2,-0.2 -2,-0.2 0.941 117.4 40.8 -64.9 -51.4 -12.3 31.4 66.7 13 13 A A H X S+ 0 0 10 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.897 115.0 49.8 -71.4 -42.9 -9.5 33.9 66.3 14 14 A W H X S+ 0 0 21 -4,-3.1 4,-1.4 -5,-0.3 -1,-0.2 0.924 108.5 54.1 -60.8 -44.8 -10.9 35.5 63.1 15 15 A G H < S+ 0 0 57 -4,-2.2 3,-0.3 -5,-0.4 -1,-0.2 0.886 106.2 54.5 -49.9 -40.1 -14.3 35.8 64.9 16 16 A K H < S+ 0 0 111 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.959 99.4 59.0 -62.4 -47.0 -12.2 37.6 67.5 17 17 A V H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.1 -1,-0.2 0.803 84.6 156.8 -49.4 -34.5 -10.9 40.0 64.9 18 18 A G G >< - 0 0 44 -4,-1.4 3,-1.4 -3,-0.3 -1,-0.1 -0.011 63.4 -3.6 50.6-138.1 -14.5 41.0 64.3 19 19 A G G 3 S+ 0 0 90 1,-0.3 4,-0.3 -3,-0.1 -1,-0.2 0.356 123.2 74.7 -72.7 7.0 -15.3 44.4 62.8 20 20 A N G <> + 0 0 89 -3,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.441 60.2 99.9 -98.9 -6.5 -11.6 45.3 62.9 21 21 A A H <> S+ 0 0 10 -3,-1.4 4,-2.7 1,-0.2 5,-0.2 0.889 80.9 55.3 -46.4 -49.9 -10.4 43.2 59.9 22 22 A G H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.950 109.0 45.5 -48.0 -62.4 -10.4 46.2 57.6 23 23 A A H > S+ 0 0 63 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.804 114.7 48.7 -51.3 -38.4 -8.1 48.2 59.9 24 24 A Y H X S+ 0 0 22 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.840 105.9 56.6 -72.3 -38.4 -5.7 45.2 60.3 25 25 A G H X S+ 0 0 7 -4,-2.7 4,-1.9 -3,-0.3 -2,-0.2 0.900 109.7 46.0 -61.0 -41.5 -5.6 44.5 56.7 26 26 A A H X S+ 0 0 11 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.877 111.8 52.0 -69.0 -37.1 -4.4 48.1 56.1 27 27 A E H X S+ 0 0 38 -4,-1.7 4,-2.3 -5,-0.2 5,-0.2 0.919 108.0 50.7 -65.0 -39.4 -1.9 47.7 59.0 28 28 A A H X S+ 0 0 1 -4,-3.0 4,-1.4 2,-0.2 -2,-0.2 0.920 112.7 47.4 -63.1 -40.8 -0.5 44.4 57.5 29 29 A L H >X S+ 0 0 4 -4,-1.9 4,-3.0 2,-0.2 3,-0.5 0.968 110.1 52.5 -62.7 -55.3 -0.1 46.2 54.1 30 30 A E H 3X S+ 0 0 41 -4,-2.8 4,-1.6 1,-0.3 -2,-0.2 0.920 110.9 45.0 -42.0 -57.7 1.6 49.2 55.7 31 31 A R H 3X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -1,-0.3 0.776 113.3 53.3 -67.0 -25.5 4.2 47.2 57.6 32 32 A M H < - 0 0 29 -4,-2.8 3,-1.7 -5,-0.2 4,-0.2 -0.767 66.5-172.1-131.0 84.9 10.0 45.1 52.4 37 37 A P G > S+ 0 0 43 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.718 77.0 71.2 -52.0 -29.3 10.3 48.0 49.9 38 38 A T G > S+ 0 0 26 1,-0.3 3,-1.9 2,-0.2 4,-0.1 0.863 83.1 70.4 -56.1 -36.3 10.1 45.7 46.8 39 39 A T G X S+ 0 0 2 -3,-1.7 3,-1.0 1,-0.3 -1,-0.3 0.679 84.1 73.6 -61.4 -15.7 6.5 45.0 47.3 40 40 A K G X S+ 0 0 90 -3,-1.7 3,-2.7 1,-0.2 -1,-0.3 0.775 72.7 78.2 -70.6 -28.5 5.7 48.6 46.3 41 41 A T G < S+ 0 0 42 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.476 89.0 62.2 -63.8 0.1 6.4 48.2 42.5 42 42 A Y G < S+ 0 0 42 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.541 106.3 42.2 -96.3 -11.9 2.9 46.6 42.4 43 43 A F X + 0 0 36 -3,-2.7 3,-1.6 -4,-0.1 -1,-0.2 -0.323 59.5 139.5-131.3 53.0 1.1 49.8 43.6 44 44 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.354 76.4 60.7 -78.3 8.5 2.7 52.7 41.7 45 45 A H T 3 S+ 0 0 123 -3,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.148 92.4 86.5-115.2 9.4 -0.9 54.0 41.3 46 46 A F S < S- 0 0 38 -3,-1.6 2,-0.7 8,-0.0 -3,-0.1 -0.852 80.2-123.8-110.4 146.4 -1.4 54.3 45.1 47 47 A D - 0 0 82 -2,-0.3 8,-0.4 1,-0.1 7,-0.2 -0.851 31.4-174.4 -76.7 116.0 -0.6 57.0 47.5 48 48 A L + 0 0 56 -2,-0.7 2,-0.2 6,-0.1 -1,-0.1 0.044 35.7 127.5-107.5 24.0 1.5 54.9 49.9 49 49 A S S > S- 0 0 60 1,-0.2 3,-2.5 2,-0.0 6,-0.2 -0.511 78.1 -78.7 -77.9 149.6 2.0 57.6 52.5 50 50 A H T 3 S+ 0 0 157 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.0 -0.197 119.9 16.1 -49.1 131.3 1.1 56.6 56.1 51 51 A G T 3 S+ 0 0 34 1,-0.2 -1,-0.3 -3,-0.1 5,-0.1 0.298 85.1 172.4 90.5 -10.7 -2.6 56.8 56.5 52 52 A S <> - 0 0 5 -3,-2.5 4,-1.9 1,-0.1 -1,-0.2 0.081 36.0-138.0 -27.5 133.4 -3.5 56.8 52.8 53 53 A A H > S+ 0 0 83 2,-0.2 4,-2.8 1,-0.2 -1,-0.1 0.824 104.2 54.8 -61.3 -39.1 -7.2 56.5 52.0 54 54 A Q H > S+ 0 0 90 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.900 107.8 47.6 -66.3 -43.1 -6.3 54.1 49.1 55 55 A V H > S+ 0 0 10 -8,-0.4 4,-2.6 2,-0.2 3,-0.5 0.966 112.0 49.8 -62.5 -51.1 -4.4 51.8 51.4 56 56 A K H X S+ 0 0 128 -4,-1.9 4,-1.7 1,-0.3 -2,-0.2 0.923 111.3 50.3 -54.5 -46.5 -7.2 51.8 53.9 57 57 A G H X S+ 0 0 35 -4,-2.8 4,-1.2 1,-0.2 -1,-0.3 0.820 111.9 46.5 -58.7 -35.0 -9.6 51.0 51.1 58 58 A H H X S+ 0 0 44 -4,-1.9 4,-2.4 -3,-0.5 -1,-0.2 0.778 103.2 65.2 -79.0 -26.4 -7.3 48.1 50.0 59 59 A G H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.944 103.4 46.6 -54.8 -52.8 -7.1 46.9 53.6 60 60 A E H X S+ 0 0 111 -4,-1.7 4,-3.6 2,-0.2 5,-0.2 0.908 108.9 53.6 -55.6 -48.9 -10.8 46.2 53.5 61 61 A K H X S+ 0 0 145 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.936 114.3 41.7 -56.5 -47.6 -10.7 44.4 50.2 62 62 A V H X S+ 0 0 36 -4,-2.4 4,-1.1 2,-0.2 3,-0.4 0.947 115.1 51.2 -63.6 -47.9 -8.0 42.1 51.5 63 63 A A H X S+ 0 0 5 -4,-2.8 4,-2.1 1,-0.2 3,-0.5 0.886 110.6 50.1 -52.3 -43.4 -9.7 41.7 54.8 64 64 A A H X S+ 0 0 57 -4,-3.6 4,-2.1 1,-0.2 -1,-0.2 0.790 106.3 53.5 -68.5 -33.4 -13.0 40.8 53.1 65 65 A A H X S+ 0 0 19 -4,-1.5 4,-0.7 -3,-0.4 -1,-0.2 0.675 110.9 48.4 -77.1 -18.3 -11.4 38.2 50.9 66 66 A L H X S+ 0 0 13 -4,-1.1 4,-3.1 -3,-0.5 -2,-0.2 0.811 108.6 51.2 -88.8 -39.7 -10.0 36.6 54.1 67 67 A T H X S+ 0 0 68 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.999 112.0 48.4 -52.0 -66.3 -13.3 36.6 55.9 68 68 A K H X S+ 0 0 98 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.833 112.4 49.8 -39.9 -43.2 -14.8 34.9 52.8 69 69 A A H < S+ 0 0 0 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.948 108.3 51.6 -65.2 -48.5 -11.8 32.5 53.0 70 70 A V H < S+ 0 0 12 -4,-3.1 3,-0.5 1,-0.2 -2,-0.2 0.742 111.5 49.4 -55.3 -30.2 -12.4 31.7 56.7 71 71 A G H < S+ 0 0 53 -4,-1.9 -1,-0.2 1,-0.2 3,-0.2 0.858 115.9 39.4 -80.0 -37.6 -16.1 31.0 56.0 72 72 A H >< + 0 0 113 -4,-1.5 3,-1.0 -5,-0.2 -1,-0.2 -0.347 68.7 144.8-110.9 46.1 -15.5 28.6 53.1 73 73 A L G > + 0 0 24 -3,-0.5 3,-0.5 1,-0.2 -1,-0.2 0.759 65.9 64.9 -55.2 -27.9 -12.5 26.7 54.4 74 74 A D G 3 S+ 0 0 135 1,-0.3 2,-0.3 -3,-0.2 -1,-0.2 0.854 113.8 28.4 -68.9 -35.7 -13.7 23.5 52.8 75 75 A D G <> + 0 0 92 -3,-1.0 4,-0.6 1,-0.1 -1,-0.3 -0.698 67.0 146.1-128.0 81.1 -13.3 24.8 49.3 76 76 A L H X> S+ 0 0 8 -3,-0.5 4,-2.7 -2,-0.3 3,-1.0 0.939 72.6 58.0 -78.4 -48.8 -10.6 27.5 49.0 77 77 A P H 34 S+ 0 0 80 0, 0.0 7,-0.2 0, 0.0 -1,-0.2 0.860 116.0 38.6 -50.1 -36.1 -9.3 26.7 45.5 78 78 A G H 34 S+ 0 0 47 2,-0.2 -2,-0.2 1,-0.2 4,-0.2 0.598 114.4 53.0 -90.1 -15.2 -12.9 27.4 44.3 79 79 A T H << S+ 0 0 34 -3,-1.0 3,-0.2 -4,-0.6 -1,-0.2 0.815 121.5 30.4 -83.8 -33.8 -13.6 30.3 46.6 80 80 A L S X S+ 0 0 5 -4,-2.7 4,-2.5 1,-0.1 5,-0.2 0.182 82.3 116.8-112.8 13.3 -10.5 32.2 45.6 81 81 A S H > S+ 0 0 51 1,-0.2 4,-1.7 -5,-0.2 -1,-0.1 0.893 78.4 49.7 -52.6 -51.2 -10.2 31.0 42.0 82 82 A D H > S+ 0 0 148 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.921 109.9 51.6 -48.6 -50.3 -10.8 34.5 40.6 83 83 A L H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.911 104.6 56.9 -59.4 -40.8 -8.1 35.9 42.9 84 84 A S H X>S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 5,-0.5 0.891 110.1 46.1 -55.0 -41.3 -5.7 33.2 41.8 85 85 A D H X>S+ 0 0 52 -4,-1.7 5,-2.2 -3,-0.3 4,-1.5 0.942 112.8 46.8 -67.0 -51.5 -6.1 34.5 38.2 86 86 A L H <>S+ 0 0 79 -4,-2.4 5,-2.4 3,-0.2 6,-0.3 0.956 120.2 38.2 -55.5 -54.1 -5.8 38.2 38.9 87 87 A H H <5S+ 0 0 45 -4,-2.7 6,-2.5 3,-0.2 -2,-0.2 0.918 127.0 31.5 -68.1 -47.4 -2.8 37.8 41.1 88 88 A A H <5S+ 0 0 0 -4,-2.2 -3,-0.2 -5,-0.4 4,-0.2 0.939 132.8 20.9 -80.7 -53.2 -0.9 35.1 39.1 89 89 A H T < - 0 0 3 -2,-0.4 3,-1.0 1,-0.1 4,-0.3 -0.222 20.3-132.2 -54.9 137.9 6.0 37.1 42.7 95 95 A P T >> S+ 0 0 34 0, 0.0 3,-1.9 0, 0.0 4,-0.8 0.826 101.4 69.0 -65.5 -30.2 5.1 34.2 45.1 96 96 A V H 3> S+ 0 0 28 1,-0.3 4,-1.2 2,-0.2 3,-0.4 0.775 89.3 66.4 -59.9 -23.9 7.6 35.3 47.7 97 97 A N H <> S+ 0 0 12 -3,-1.0 4,-1.8 1,-0.2 -1,-0.3 0.748 92.0 61.2 -69.8 -23.6 5.5 38.3 48.3 98 98 A F H <> S+ 0 0 26 -3,-1.9 4,-1.8 -4,-0.3 -1,-0.2 0.879 98.7 54.7 -70.6 -36.3 2.8 36.1 49.6 99 99 A K H X S+ 0 0 129 -4,-0.8 4,-1.4 -3,-0.4 -2,-0.2 0.905 109.2 52.0 -57.0 -41.3 5.1 34.9 52.4 100 100 A L H X S+ 0 0 27 -4,-1.2 4,-2.2 2,-0.2 5,-0.3 0.884 107.4 45.3 -71.8 -44.3 5.6 38.5 53.4 101 101 A L H X S+ 0 0 33 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.974 111.1 56.2 -62.0 -48.3 2.0 39.8 53.7 102 102 A S H X S+ 0 0 18 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.829 109.4 48.3 -43.5 -42.4 1.2 36.6 55.6 103 103 A H H X S+ 0 0 16 -4,-1.4 4,-3.2 2,-0.2 -1,-0.2 0.951 111.9 44.1 -68.1 -55.7 3.9 37.6 58.0 104 104 A S H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.835 112.4 57.4 -56.1 -35.4 3.0 41.3 58.6 105 105 A L H X S+ 0 0 10 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.931 108.9 42.8 -63.7 -46.4 -0.5 39.9 58.9 106 106 A L H X S+ 0 0 7 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.875 112.7 52.9 -69.1 -40.1 0.6 37.7 61.7 107 107 A V H X S+ 0 0 0 -4,-3.2 4,-2.1 2,-0.2 -2,-0.2 0.918 111.5 49.0 -55.6 -42.0 2.7 40.5 63.2 108 108 A T H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.938 112.1 45.0 -67.1 -48.2 -0.5 42.6 63.1 109 109 A L H X S+ 0 0 4 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.844 112.8 52.8 -65.4 -32.2 -2.8 40.0 64.7 110 110 A A H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.931 109.0 51.3 -63.6 -44.1 -0.1 39.4 67.3 111 111 A C H < S+ 0 0 8 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.893 117.4 34.6 -61.2 -45.7 0.0 43.0 68.1 112 112 A H H < S+ 0 0 65 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.663 124.5 39.3 -94.1 -19.8 -3.7 43.6 68.6 113 113 A L >X + 0 0 26 -4,-1.8 4,-1.1 -5,-0.2 3,-0.5 -0.491 62.3 152.5-126.3 64.1 -4.6 40.3 70.2 114 114 A P G >4 S+ 0 0 44 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.924 75.9 49.7 -62.2 -44.4 -1.8 39.3 72.6 115 115 A N G 34 S+ 0 0 144 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.753 117.3 40.3 -66.1 -22.6 -4.0 37.3 74.9 116 116 A D G <4 S+ 0 0 62 -3,-0.5 2,-1.3 1,-0.1 -1,-0.2 0.501 92.0 89.5-104.2 -5.8 -5.5 35.3 72.1 117 117 A F << + 0 0 3 -4,-1.1 -1,-0.1 -3,-0.7 140,-0.0 -0.518 59.4 163.7 -94.1 67.8 -2.4 34.8 70.0 118 118 A T > - 0 0 64 -2,-1.3 4,-3.3 1,-0.1 3,-0.5 -0.396 54.7-102.1 -87.3 160.2 -1.1 31.5 71.5 119 119 A P H > S+ 0 0 20 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.903 124.6 49.3 -43.3 -48.0 1.4 29.2 70.1 120 120 A A H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.864 114.3 44.2 -64.9 -36.3 -1.4 26.8 68.9 121 121 A V H > S+ 0 0 19 -3,-0.5 4,-2.9 2,-0.2 5,-0.2 0.879 112.4 52.0 -73.0 -41.3 -3.4 29.7 67.3 122 122 A H H X S+ 0 0 2 -4,-3.3 4,-2.8 2,-0.2 5,-0.2 0.993 110.6 50.1 -51.8 -64.1 -0.2 31.1 65.7 123 123 A A H X S+ 0 0 18 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.837 112.8 45.5 -36.9 -55.4 0.4 27.6 64.3 124 124 A S H X S+ 0 0 3 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.938 113.0 49.1 -62.5 -49.1 -3.1 27.3 62.9 125 125 A L H X S+ 0 0 3 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.886 108.0 53.7 -58.8 -44.3 -3.2 30.8 61.4 126 126 A D H X S+ 0 0 33 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.945 109.8 48.8 -54.0 -49.2 0.2 30.3 59.7 127 127 A K H X S+ 0 0 45 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.843 111.7 50.6 -58.6 -38.3 -1.2 27.1 58.1 128 128 A F H >X S+ 0 0 1 -4,-1.9 4,-1.5 2,-0.2 3,-0.6 0.961 112.5 44.4 -61.2 -52.5 -4.3 29.0 57.0 129 129 A L H 3X S+ 0 0 9 -4,-3.0 4,-1.9 1,-0.3 -2,-0.2 0.773 109.9 54.4 -72.9 -29.0 -2.3 31.8 55.4 130 130 A A H 3X S+ 0 0 45 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.3 0.760 109.7 50.6 -70.9 -27.8 0.1 29.5 53.7 131 131 A N H < S+ 0 0 79 -4,-2.1 3,-0.9 1,-0.2 4,-0.3 0.948 111.1 45.9 -57.4 -48.6 -0.8 28.2 47.9 135 135 A V H >< S+ 0 0 14 -4,-2.1 3,-1.6 1,-0.2 4,-0.4 0.918 109.1 56.1 -57.1 -43.8 -4.1 28.7 46.2 136 136 A L H 3< S+ 0 0 15 -4,-2.0 -48,-0.3 1,-0.3 -1,-0.2 0.688 112.3 41.2 -66.3 -18.6 -3.2 32.3 45.0 137 137 A T T << S+ 0 0 35 -4,-1.2 3,-0.4 -3,-0.9 -1,-0.3 0.293 91.2 92.6-108.1 5.6 -0.0 31.1 43.2 138 138 A S S < S+ 0 0 56 -3,-1.6 2,-0.8 -4,-0.3 3,-0.2 0.780 72.1 64.0 -79.9 -24.8 -1.6 28.0 41.7 139 139 A K + 0 0 56 -4,-0.4 -1,-0.2 1,-0.2 -4,-0.0 -0.249 58.8 150.2 -99.0 50.5 -2.7 29.3 38.4 140 140 A Y 0 0 21 -2,-0.8 -1,-0.2 -3,-0.4 -2,-0.1 0.559 360.0 360.0 -74.9 -13.1 0.7 30.2 36.9 141 141 A R 0 0 206 -3,-0.2 -1,-0.2 324,-0.0 -2,-0.0 0.700 360.0 360.0 -2.0 360.0 0.0 29.7 33.1 142 !* 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 2 B M 0 0 163 0, 0.0 2,-0.3 0, 0.0 77,-0.1 0.000 360.0 360.0 360.0 59.8 25.1 48.8 58.5 144 3 B L > - 0 0 18 130,-0.0 5,-0.7 0, 0.0 4,-0.1 -0.925 360.0 -91.8-151.1 107.3 22.0 50.7 59.4 145 4 B T T >>5 - 0 0 92 -2,-0.3 3,-5.5 3,-0.2 4,-0.8 0.132 43.8-108.4 -33.1 121.5 21.8 54.5 59.3 146 5 B A H 3>5S+ 0 0 74 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.680 121.3 58.8 -13.3 -53.4 22.7 55.9 62.8 147 6 B E H 3>5S+ 0 0 159 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.810 105.6 51.9 -58.5 -28.5 19.1 56.9 63.3 148 7 B E H <>5S+ 0 0 36 -3,-5.5 4,-1.8 2,-0.2 -2,-0.2 0.889 106.6 49.4 -79.1 -42.2 18.2 53.3 62.8 149 8 B K H X< S+ 0 0 52 -4,-2.4 3,-0.7 -5,-0.3 4,-0.4 0.912 112.6 44.3 -55.0 -47.6 16.7 52.3 72.5 155 14 B F H >< S+ 0 0 14 -4,-1.9 3,-2.2 -5,-0.2 4,-0.2 0.947 103.3 67.4 -59.8 -48.8 13.7 50.0 72.1 156 15 B W H >< S+ 0 0 22 -4,-2.7 3,-1.0 1,-0.3 -1,-0.2 0.634 87.1 65.6 -50.9 -25.6 15.8 46.9 73.0 157 16 B G T << S+ 0 0 74 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.812 98.1 55.9 -65.9 -30.0 16.3 48.0 76.6 158 17 B K T < S+ 0 0 113 -3,-2.2 2,-0.7 -4,-0.4 -1,-0.2 0.443 87.1 100.6 -80.8 -2.0 12.6 47.6 77.2 159 18 B V S < S- 0 0 9 -3,-1.0 2,-1.6 -4,-0.2 3,-0.1 -0.780 71.1-141.0 -94.6 110.9 12.7 44.0 76.0 160 19 B K >> - 0 0 137 -2,-0.7 4,-1.5 1,-0.2 3,-0.9 -0.574 18.1-162.9 -68.4 90.9 12.8 41.3 78.8 161 20 B V H 3> S+ 0 0 19 -2,-1.6 4,-2.0 1,-0.2 5,-0.2 0.749 77.1 64.7 -43.6 -38.7 15.3 39.0 77.0 162 21 B D H 3> S+ 0 0 84 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.883 111.3 30.6 -58.1 -44.4 14.5 35.9 79.2 163 22 B E H <> S+ 0 0 99 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.679 116.7 55.3 -96.7 -24.0 10.8 35.4 78.1 164 23 B V H X S+ 0 0 0 -4,-1.5 4,-3.3 2,-0.2 5,-0.2 0.910 110.9 49.6 -67.5 -47.5 11.1 36.7 74.5 165 24 B G H X S+ 0 0 2 -4,-2.0 4,-2.5 -5,-0.2 5,-0.3 0.966 114.0 42.6 -51.7 -61.4 13.9 34.2 74.2 166 25 B A H X S+ 0 0 18 -4,-1.6 4,-2.4 1,-0.2 5,-0.2 0.931 117.9 46.1 -54.9 -48.8 11.8 31.3 75.6 167 26 B E H X S+ 0 0 21 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.935 111.7 52.0 -63.4 -46.5 8.7 32.3 73.7 168 27 B A H X S+ 0 0 3 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.946 113.5 41.9 -48.9 -61.9 10.6 32.8 70.4 169 28 B L H X S+ 0 0 4 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.830 114.7 50.0 -62.0 -37.5 12.3 29.4 70.4 170 29 B G H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.3 3,-0.5 0.956 110.8 50.4 -64.8 -49.3 9.2 27.5 71.6 171 30 B R H X S+ 0 0 4 -4,-2.8 4,-2.7 1,-0.3 5,-0.5 0.852 106.3 55.5 -56.1 -40.2 7.0 29.1 68.9 172 31 B L H X S+ 0 0 10 -4,-2.2 4,-1.5 -5,-0.2 7,-0.3 0.902 109.8 46.4 -58.1 -39.5 9.6 28.2 66.2 173 32 B L H < S+ 0 0 0 -4,-1.4 7,-0.2 -3,-0.5 -2,-0.2 0.731 117.4 42.8 -81.4 -21.5 9.3 24.5 67.3 174 33 B V H < S+ 0 0 21 -4,-1.5 -2,-0.2 -5,-0.1 -3,-0.2 0.927 119.9 38.3 -85.4 -51.2 5.5 24.6 67.3 175 34 B V H < S+ 0 0 14 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.777 126.6 38.1 -72.2 -29.0 4.8 26.5 64.1 176 35 B Y S >< S- 0 0 28 -4,-1.5 3,-2.6 -5,-0.5 4,-0.3 -0.562 75.5-177.3-124.6 73.2 7.6 24.9 62.2 177 36 B P G > S+ 0 0 21 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.533 72.3 65.7 -55.3 -21.0 7.5 21.3 63.5 178 37 B W G > S+ 0 0 35 1,-0.3 3,-0.9 2,-0.2 4,-0.2 0.640 84.8 70.5 -76.5 -19.8 10.6 20.1 61.5 179 38 B T G X S+ 0 0 6 -3,-2.6 3,-1.7 -7,-0.3 4,-0.4 0.719 80.8 80.7 -68.4 -15.6 13.0 22.3 63.4 180 39 B Q G X> S+ 0 0 19 -3,-0.9 3,-2.2 -4,-0.3 4,-0.5 0.856 73.1 75.1 -57.6 -38.4 12.2 19.9 66.3 181 40 B R G <4 S+ 0 0 61 -3,-0.9 3,-0.4 1,-0.3 -1,-0.3 0.745 92.9 53.7 -41.8 -33.2 14.7 17.4 64.8 182 41 B F G <4 S+ 0 0 38 -3,-1.7 -1,-0.3 -4,-0.2 3,-0.2 0.735 115.2 36.9 -78.2 -20.7 17.5 19.6 66.1 183 42 B F T X4 S+ 0 0 35 -3,-2.2 3,-2.9 -4,-0.4 -1,-0.2 0.184 71.3 119.9-120.5 13.1 16.3 19.7 69.7 184 43 B E G >< + 0 0 109 -4,-0.5 3,-1.3 -3,-0.4 -1,-0.1 0.706 67.5 72.8 -60.6 -14.3 15.0 16.2 70.2 185 44 B H G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.481 80.4 74.2 -74.4 -0.9 17.6 15.9 73.0 186 45 B F G < S- 0 0 23 -3,-2.9 2,-0.5 1,-0.3 14,-0.3 0.429 102.2-131.6 -91.7 0.9 15.4 18.3 75.0 187 46 B G < + 0 0 50 -3,-1.3 2,-0.7 -4,-0.1 -1,-0.3 -0.768 68.6 34.1 96.6-127.6 13.0 15.5 75.6 188 47 B D + 0 0 96 -2,-0.5 10,-0.1 1,-0.1 3,-0.1 -0.596 50.1 146.7 -79.2 110.2 9.2 15.7 75.2 189 48 B L + 0 0 10 -2,-0.7 -1,-0.1 1,-0.1 6,-0.1 0.051 27.8 126.3-122.5 26.7 8.2 18.0 72.3 190 49 B S S S+ 0 0 94 4,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.692 79.3 2.6 -65.0 -21.3 5.0 16.0 71.3 191 50 B N S > S- 0 0 82 -3,-0.1 4,-2.0 0, 0.0 3,-0.4 -0.959 86.1 -88.2-156.0 175.3 2.7 19.1 71.5 192 51 B A H > S+ 0 0 25 -2,-0.3 4,-0.8 1,-0.2 -72,-0.1 0.426 119.4 53.8 -75.3 -0.6 2.8 22.8 72.2 193 52 B D H > S+ 0 0 116 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.801 110.4 46.0 -95.7 -38.2 2.4 22.5 76.0 194 53 B A H > S+ 0 0 19 -3,-0.4 4,-1.0 2,-0.2 -2,-0.2 0.858 118.3 44.6 -65.2 -38.8 5.3 20.1 76.4 195 54 B V H < S+ 0 0 0 -4,-2.0 6,-0.2 2,-0.2 -3,-0.2 0.910 114.8 46.0 -72.3 -47.2 7.4 22.4 74.1 196 55 B M H < S+ 0 0 37 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.759 122.1 38.0 -71.2 -24.8 6.4 25.7 75.7 197 56 B N H < S+ 0 0 101 -4,-1.5 -1,-0.2 -27,-0.1 -2,-0.2 0.558 81.9 119.3-102.8 -10.9 6.9 24.3 79.2 198 57 B N >X - 0 0 13 -4,-1.0 4,-1.9 1,-0.2 3,-0.9 -0.424 59.9-145.0 -57.7 112.0 10.0 22.2 78.5 199 58 B P H 3> S+ 0 0 102 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.763 95.3 56.1 -53.1 -30.3 12.6 23.7 80.9 200 59 B K H 3> S+ 0 0 100 -14,-0.3 4,-2.2 2,-0.2 5,-0.1 0.810 105.9 47.4 -79.5 -34.5 15.4 23.1 78.4 201 60 B V H <> S+ 0 0 2 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.909 112.4 54.0 -61.8 -47.4 13.8 25.0 75.5 202 61 B K H X S+ 0 0 100 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.815 110.3 45.3 -53.0 -39.5 13.2 27.8 78.1 203 62 B A H X S+ 0 0 57 -4,-1.4 4,-1.8 -5,-0.2 3,-0.4 0.940 111.8 50.2 -72.8 -48.3 16.9 27.8 78.9 204 63 B H H X S+ 0 0 47 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.764 102.6 64.0 -63.4 -27.6 18.1 27.8 75.3 205 64 B G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.929 104.7 43.9 -59.1 -49.8 15.7 30.7 74.5 206 65 B K H X S+ 0 0 98 -4,-1.0 4,-2.1 -3,-0.4 -2,-0.2 0.940 112.7 53.1 -59.6 -48.5 17.6 33.0 76.9 207 66 B K H X S+ 0 0 137 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.920 110.7 47.1 -56.6 -47.4 21.0 31.7 75.5 208 67 B V H X S+ 0 0 34 -4,-2.7 4,-1.8 1,-0.2 3,-0.3 0.940 115.0 43.9 -58.5 -52.7 19.9 32.5 71.9 209 68 B L H X S+ 0 0 4 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.714 105.6 64.5 -69.7 -19.8 18.6 35.9 72.6 210 69 B D H X S+ 0 0 60 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.897 107.4 40.5 -67.2 -41.8 21.6 36.7 74.8 211 70 B S H X S+ 0 0 37 -4,-1.5 4,-2.3 -3,-0.3 -2,-0.2 0.835 116.3 52.0 -73.0 -32.7 23.9 36.4 71.8 212 71 B F H X S+ 0 0 18 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.957 110.1 47.5 -61.3 -50.6 21.3 38.2 69.8 213 72 B S H < S+ 0 0 26 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.652 110.9 54.6 -70.1 -15.8 21.3 41.0 72.4 214 73 B N H >< S+ 0 0 70 -4,-0.7 3,-1.7 2,-0.2 -1,-0.2 0.870 103.6 51.1 -80.0 -45.7 25.1 40.9 72.2 215 74 B G H >< S+ 0 0 2 -4,-2.3 3,-1.7 1,-0.3 6,-0.2 0.725 96.4 74.1 -61.2 -21.2 25.2 41.5 68.4 216 75 B M T 3< S+ 0 0 8 -4,-1.2 3,-0.4 1,-0.3 -1,-0.3 0.667 94.3 51.3 -64.7 -19.0 22.9 44.4 69.2 217 76 B K T < S+ 0 0 156 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.338 113.0 45.0 -97.4 -0.7 26.0 46.1 70.6 218 77 B H X + 0 0 90 -3,-1.7 3,-3.0 -4,-0.1 7,-0.2 -0.127 64.2 149.7-134.8 41.2 28.0 45.5 67.5 219 78 B L T 3 S+ 0 0 12 -3,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.710 72.7 57.0 -53.8 -26.7 25.6 46.3 64.7 220 79 B D T 3 S+ 0 0 94 1,-0.3 -1,-0.3 -3,-0.1 2,-0.3 0.601 113.9 40.5 -77.2 -15.9 28.5 47.4 62.4 221 80 B D <> + 0 0 75 -3,-3.0 4,-1.1 -6,-0.2 -1,-0.3 -0.690 61.3 141.7-137.9 81.9 30.1 44.0 62.7 222 81 B L H > S+ 0 0 22 -3,-0.4 4,-2.3 -2,-0.3 5,-0.3 0.929 77.4 52.2 -80.6 -54.4 27.6 41.1 62.6 223 82 B K H > S+ 0 0 106 1,-0.2 4,-1.6 2,-0.2 7,-0.2 0.891 108.5 55.7 -47.0 -43.3 29.7 38.7 60.6 224 83 B G H >4 S+ 0 0 37 2,-0.2 3,-0.8 1,-0.2 4,-0.4 0.968 111.7 39.2 -52.6 -63.6 32.5 39.3 63.1 225 84 B T H >< S+ 0 0 49 -4,-1.1 3,-0.7 1,-0.2 4,-0.4 0.923 121.4 40.8 -56.0 -53.2 30.5 38.3 66.2 226 85 B F H 3X S+ 0 0 5 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.513 83.2 100.1 -84.2 -6.5 28.6 35.4 64.8 227 86 B A H S+ 0 0 172 -3,-0.7 4,-1.5 -4,-0.4 3,-0.4 0.951 114.4 46.0 -60.7 -53.6 32.0 31.3 65.6 229 88 B L H > S+ 0 0 59 -4,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.719 106.3 62.4 -62.9 -25.3 28.3 30.5 66.0 230 89 B S H X S+ 0 0 0 -4,-2.8 4,-3.5 2,-0.2 5,-0.3 0.948 103.1 49.0 -58.2 -49.0 28.1 30.3 62.2 231 90 B E H X>S+ 0 0 95 -4,-1.6 4,-2.1 -3,-0.4 5,-0.9 0.849 111.3 48.6 -65.8 -37.5 30.6 27.4 62.3 232 91 B L H X>S+ 0 0 61 -4,-1.5 5,-2.5 3,-0.2 4,-1.9 0.990 117.8 39.9 -61.7 -59.1 28.6 25.5 65.0 233 92 B H H <>S+ 0 0 40 -4,-2.2 6,-2.1 3,-0.2 5,-0.7 0.874 126.1 35.2 -62.7 -41.3 25.3 25.9 63.2 234 93 B C H <5S+ 0 0 0 -4,-3.5 -3,-0.2 -5,-0.2 -1,-0.2 0.953 129.4 26.8 -81.3 -49.2 26.6 25.3 59.7 235 94 B D H <5S+ 0 0 93 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.775 133.0 25.9 -90.2 -32.0 29.4 22.7 60.2 236 95 B K T < - 0 0 26 -2,-0.3 3,-2.7 1,-0.1 4,-0.4 -0.620 19.2-126.2 -70.9 127.7 19.7 25.0 56.7 241 100 B P T >> S+ 0 0 34 0, 0.0 4,-1.2 0, 0.0 3,-1.1 0.724 104.4 72.4 -47.0 -35.5 20.1 28.8 56.5 242 101 B E H 3> S+ 0 0 47 1,-0.3 4,-1.4 2,-0.2 37,-0.0 0.793 92.4 60.4 -54.3 -25.7 16.4 29.3 55.6 243 102 B N H <> S+ 0 0 9 -3,-2.7 4,-1.9 2,-0.2 -1,-0.3 0.854 94.2 59.4 -72.7 -33.9 15.7 28.4 59.3 244 103 B F H <> S+ 0 0 23 -3,-1.1 4,-1.6 -4,-0.4 -1,-0.2 0.898 107.1 49.4 -58.7 -37.7 17.8 31.4 60.6 245 104 B R H X S+ 0 0 92 -4,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.889 107.4 54.0 -70.5 -36.5 15.4 33.6 58.7 246 105 B L H X S+ 0 0 21 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.823 107.4 50.3 -64.0 -32.5 12.4 31.7 60.2 247 106 B L H X S+ 0 0 39 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.857 109.2 52.3 -74.9 -34.0 13.7 32.3 63.7 248 107 B G H X S+ 0 0 4 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.947 108.8 49.9 -63.4 -47.7 14.1 36.0 63.0 249 108 B N H X S+ 0 0 36 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.908 112.4 46.0 -60.4 -39.9 10.6 36.3 61.7 250 109 B V H X S+ 0 0 2 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.893 109.0 56.1 -72.2 -39.1 9.1 34.6 64.8 251 110 B L H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.941 106.2 51.8 -49.4 -48.1 11.3 36.7 67.0 252 111 B V H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.948 107.4 51.7 -58.1 -49.6 9.6 39.7 65.3 253 112 B V H X S+ 0 0 2 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.829 108.6 50.9 -53.3 -42.4 6.1 38.4 66.0 254 113 B V H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.946 105.6 53.7 -65.8 -50.1 6.9 37.9 69.7 255 114 B L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.920 109.6 52.2 -45.0 -46.0 8.2 41.5 70.1 256 115 B A H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.912 109.3 48.3 -55.8 -46.8 4.9 42.5 68.5 257 116 B R H < S+ 0 0 53 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.906 116.9 41.1 -67.2 -40.4 3.0 40.4 71.1 258 117 B H H < S+ 0 0 64 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.774 121.1 39.3 -75.9 -25.4 4.9 41.8 74.1 259 118 B H H >< S- 0 0 23 -4,-2.2 3,-1.4 -5,-0.3 4,-0.2 0.442 81.3-165.0-118.1 0.8 5.0 45.5 73.0 260 119 B G G >< S- 0 0 21 -4,-1.4 3,-2.4 1,-0.3 -1,-0.2 -0.152 70.8 -6.0 61.7-140.6 1.7 46.4 71.4 261 120 B N G 3 S+ 0 0 140 1,-0.3 -1,-0.3 -150,-0.1 -149,-0.0 0.632 123.3 76.2 -72.4 -9.3 1.3 49.5 69.4 262 121 B E G < S+ 0 0 102 -3,-1.4 2,-2.0 1,-0.2 -1,-0.3 0.692 75.2 79.7 -68.4 -20.0 4.9 50.4 70.4 263 122 B F S < S- 0 0 0 -3,-2.4 -1,-0.2 -7,-0.2 -3,-0.1 -0.540 83.0-172.8 -81.6 70.4 5.9 47.8 67.9 264 123 B T > - 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0 0 14 71,-0.1 2,-0.1 3,-0.0 122,-0.0 -0.817 360.0-139.8-108.4 129.1 -1.6 19.9 35.9 291 3 C S > - 0 0 61 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.359 39.2-101.4 -71.7 160.5 -3.3 20.4 32.6 292 4 C A H > S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.891 128.5 58.2 -50.3 -34.1 -3.8 17.3 30.3 293 5 C A H > S+ 0 0 64 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.932 103.9 47.2 -61.7 -51.7 -0.8 18.9 28.5 294 6 C D H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.918 111.7 53.9 -53.0 -44.3 1.4 18.7 31.7 295 7 C K H X S+ 0 0 42 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.884 107.4 46.9 -62.8 -45.0 0.3 15.1 32.2 296 8 C S H X S+ 0 0 76 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.929 113.1 51.7 -62.9 -42.5 1.2 13.8 28.8 297 9 C N H X S+ 0 0 49 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.888 113.9 42.0 -61.7 -40.7 4.6 15.5 29.1 298 10 C V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 5,-0.4 0.915 114.6 52.6 -71.4 -39.9 5.2 13.9 32.5 299 11 C K H X S+ 0 0 100 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.912 113.5 42.0 -61.1 -43.6 3.9 10.6 31.3 300 12 C A H X S+ 0 0 44 -4,-2.8 4,-3.3 2,-0.2 -1,-0.2 0.862 113.3 52.2 -76.5 -35.3 6.1 10.5 28.3 301 13 C A H X S+ 0 0 14 -4,-1.8 4,-1.6 -5,-0.3 -2,-0.2 0.981 115.1 38.8 -64.9 -57.9 9.3 11.8 30.0 302 14 C W H >X S+ 0 0 19 -4,-2.0 4,-1.1 1,-0.2 3,-0.5 0.927 115.8 57.2 -57.9 -46.8 9.3 9.3 32.8 303 15 C G H >< S+ 0 0 49 -4,-1.8 3,-1.2 -5,-0.4 -2,-0.2 0.921 103.6 50.4 -42.5 -58.0 8.2 6.8 30.3 304 16 C K H 3< S+ 0 0 116 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.777 101.2 64.3 -62.0 -26.1 11.2 7.4 28.1 305 17 C V H X< S+ 0 0 8 -4,-1.6 3,-1.5 -3,-0.5 -1,-0.3 0.897 78.7 161.0 -58.3 -38.7 13.4 6.9 31.1 306 18 C G G X< - 0 0 44 -3,-1.2 3,-1.3 -4,-1.1 -1,-0.1 -0.155 64.9 -4.2 46.0-143.0 12.2 3.3 31.3 307 19 C G G 3 S+ 0 0 82 1,-0.3 -1,-0.2 2,-0.1 4,-0.2 0.250 119.3 75.8 -69.0 11.2 14.5 1.0 33.3 308 20 C N G <> + 0 0 80 -3,-1.5 4,-2.3 1,-0.1 -1,-0.3 0.215 66.0 105.6 -95.3 12.8 17.2 3.6 34.1 309 21 C A H <> S+ 0 0 14 -3,-1.3 4,-2.2 1,-0.2 3,-0.3 0.951 82.4 40.9 -55.7 -54.2 14.7 5.0 36.6 310 22 C G H > S+ 0 0 4 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.835 112.2 58.7 -63.9 -31.8 16.7 3.7 39.6 311 23 C A H > S+ 0 0 50 -4,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.903 110.9 40.0 -57.7 -44.6 19.9 4.6 37.8 312 24 C Y H X S+ 0 0 21 -4,-2.3 4,-3.4 -3,-0.3 -2,-0.2 0.812 111.6 54.2 -82.6 -34.5 18.8 8.3 37.7 313 25 C G H X S+ 0 0 4 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.797 108.3 52.9 -64.5 -31.2 17.3 8.6 41.2 314 26 C A H X S+ 0 0 15 -4,-1.4 4,-2.4 -5,-0.2 -2,-0.2 0.928 113.1 42.7 -66.4 -45.2 20.6 7.2 42.4 315 27 C E H X S+ 0 0 30 -4,-1.4 4,-3.4 2,-0.2 5,-0.3 0.920 109.6 56.0 -68.2 -47.4 22.4 10.0 40.5 316 28 C A H X S+ 0 0 0 -4,-3.4 4,-2.3 2,-0.2 -1,-0.2 0.935 110.3 48.3 -42.9 -51.6 19.8 12.6 41.6 317 29 C L H X S+ 0 0 6 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.954 111.4 48.5 -57.1 -54.2 20.7 11.6 45.1 318 30 C E H X S+ 0 0 25 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.907 111.2 49.1 -52.7 -50.4 24.4 11.8 44.5 319 31 C R H X S+ 0 0 1 -4,-3.4 4,-2.4 1,-0.2 5,-0.2 0.890 110.9 51.2 -62.4 -39.2 24.3 15.2 42.9 320 32 C M H X S+ 0 0 13 -4,-2.3 4,-2.7 -5,-0.3 7,-0.2 0.925 109.7 49.4 -59.4 -50.8 22.2 16.5 45.8 321 33 C F H < S+ 0 0 4 -4,-2.4 7,-0.3 2,-0.2 -2,-0.2 0.872 116.6 41.0 -53.8 -47.2 24.6 15.2 48.4 322 34 C L H < S+ 0 0 68 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.899 118.9 44.4 -73.4 -39.9 27.7 16.7 46.8 323 35 C S H < S+ 0 0 12 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.883 125.5 29.0 -74.2 -39.4 26.1 20.0 45.8 324 36 C F >< - 0 0 36 -4,-2.7 3,-2.0 -5,-0.2 4,-0.3 -0.784 68.4-171.5-127.6 85.2 24.3 20.7 49.1 325 37 C P G > S+ 0 0 69 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.728 77.0 71.0 -47.9 -34.6 26.2 19.0 52.0 326 38 C T G > S+ 0 0 17 1,-0.3 3,-0.8 2,-0.2 -86,-0.1 0.691 88.3 64.7 -61.2 -22.1 23.5 19.7 54.7 327 39 C T G X S+ 0 0 4 -3,-2.0 3,-1.2 -7,-0.2 -1,-0.3 0.730 84.1 73.9 -73.9 -25.4 21.2 17.1 53.1 328 40 C K G X S+ 0 0 71 -3,-1.4 3,-1.8 -4,-0.3 -1,-0.2 0.671 78.8 77.9 -52.7 -24.5 23.7 14.1 53.9 329 41 C T G < S+ 0 0 36 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.499 80.1 65.7 -78.9 -1.8 22.7 14.3 57.6 330 42 C Y G < S+ 0 0 32 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.437 103.7 49.3 -91.0 -3.9 19.4 12.5 57.0 331 43 C F X + 0 0 31 -3,-1.8 3,-1.7 1,-0.1 -1,-0.2 -0.434 58.4 145.3-130.4 57.4 21.5 9.4 56.1 332 44 C P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.819 77.0 57.8 -66.4 -23.4 24.0 9.0 58.9 333 45 C H T 3 S+ 0 0 130 -3,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.171 94.6 88.0 -89.7 12.7 23.6 5.3 58.4 334 46 C F S < S- 0 0 40 -3,-1.7 2,-0.6 -6,-0.2 -3,-0.1 -0.735 74.9-128.0-106.3 159.5 24.6 5.3 54.7 335 47 C D - 0 0 84 -2,-0.3 8,-0.4 2,-0.1 7,-0.1 -0.961 26.9-165.4 -99.1 118.7 27.9 5.1 52.8 336 48 C L + 0 0 46 -2,-0.6 3,-0.1 6,-0.1 -1,-0.1 0.308 45.2 108.5 -97.5 10.3 27.7 8.2 50.6 337 49 C S S > S- 0 0 71 1,-0.2 3,-1.4 2,-0.1 6,-0.2 -0.214 80.6 -62.5 -83.2 176.7 30.5 7.5 48.1 338 50 C H T 3 S+ 0 0 144 1,-0.3 -1,-0.2 5,-0.1 3,-0.1 -0.238 117.2 5.6 -66.6 139.1 30.0 6.6 44.4 339 51 C G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.402 82.5 171.7 74.8 -5.7 28.3 3.4 43.5 340 52 C S X> - 0 0 11 -3,-1.4 4,-2.4 1,-0.2 3,-0.6 -0.127 38.0-135.5 -37.7 112.3 27.5 2.8 47.1 341 53 C A H 3> S+ 0 0 83 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.844 106.2 58.1 -33.3 -42.8 25.1 -0.3 47.1 342 54 C Q H 3> S+ 0 0 86 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.916 108.2 40.4 -65.0 -48.6 23.2 1.8 49.6 343 55 C V H <> S+ 0 0 8 -3,-0.6 4,-3.6 -8,-0.4 5,-0.2 0.966 115.5 51.1 -62.8 -54.1 22.6 4.8 47.4 344 56 C K H X S+ 0 0 128 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.937 113.5 49.1 -42.8 -52.1 21.9 2.6 44.3 345 57 C G H X S+ 0 0 30 -4,-2.9 4,-0.7 -5,-0.3 3,-0.4 0.910 112.0 44.7 -56.0 -52.5 19.5 0.8 46.6 346 58 C H H >X S+ 0 0 48 -4,-2.6 4,-2.4 1,-0.2 3,-0.9 0.866 106.9 61.2 -65.3 -39.3 17.7 4.0 47.8 347 59 C G H 3X S+ 0 0 0 -4,-3.6 4,-2.4 1,-0.2 5,-0.3 0.873 101.1 53.1 -50.9 -42.7 17.6 5.3 44.2 348 60 C E H 3X S+ 0 0 107 -4,-1.7 4,-1.3 -3,-0.4 -1,-0.2 0.751 110.1 50.1 -66.7 -23.1 15.5 2.3 43.1 349 61 C K H X S+ 0 0 33 -4,-2.4 4,-2.3 2,-0.2 3,-1.1 0.977 116.6 47.5 -50.9 -61.8 12.7 6.8 45.2 351 63 C A H 3X S+ 0 0 2 -4,-2.4 4,-3.0 1,-0.3 -1,-0.2 0.884 109.4 54.1 -51.1 -47.3 12.3 6.2 41.4 352 64 C A H 3X S+ 0 0 57 -4,-1.3 4,-1.7 -5,-0.3 -1,-0.3 0.833 109.5 49.0 -53.4 -36.3 9.8 3.4 42.0 353 65 C A H X S+ 0 0 0 -4,-2.3 3,-1.7 2,-0.2 4,-0.6 0.939 107.5 52.6 -56.8 -49.1 3.0 9.0 41.2 358 70 C V H >< S+ 0 0 12 -4,-2.7 3,-0.7 1,-0.3 -1,-0.2 0.902 107.1 55.0 -55.7 -42.1 3.2 9.3 37.4 359 71 C G H 3< S+ 0 0 42 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.748 120.3 30.7 -51.4 -28.9 0.7 6.4 37.3 360 72 C H H X< + 0 0 102 -3,-1.7 3,-3.3 -4,-0.8 -2,-0.2 0.163 66.2 148.3-130.9 21.8 -1.6 8.4 39.5 361 73 C L T << S+ 0 0 17 -3,-0.7 3,-0.4 -4,-0.6 -71,-0.1 0.636 72.6 61.0 -29.4 -40.4 -1.2 12.2 38.8 362 74 C D T 3 S+ 0 0 133 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.733 114.9 31.6 -70.7 -21.2 -4.9 13.0 39.5 363 75 C D <> + 0 0 89 -3,-3.3 4,-1.8 -6,-0.2 -1,-0.2 -0.637 61.4 144.4-136.8 85.0 -4.7 11.7 43.2 364 76 C L H > S+ 0 0 6 -3,-0.4 4,-3.2 -2,-0.2 5,-0.4 0.905 72.5 64.5 -82.8 -45.3 -1.2 12.2 44.8 365 77 C P H > S+ 0 0 82 0, 0.0 4,-1.0 0, 0.0 7,-0.2 0.921 112.6 37.4 -33.9 -60.2 -2.7 12.9 48.2 366 78 C G H >4 S+ 0 0 36 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.993 118.2 46.5 -56.6 -66.6 -4.0 9.4 48.2 367 79 C T H 3< S+ 0 0 20 -4,-1.8 -1,-0.2 1,-0.3 3,-0.2 0.704 122.3 35.2 -57.7 -25.6 -1.1 7.6 46.4 368 80 C L H >X S+ 0 0 6 -4,-3.2 3,-2.5 1,-0.1 4,-1.6 0.501 81.4 111.3-108.2 -5.8 1.7 9.3 48.5 369 81 C S H S+ 0 0 130 -4,-0.3 4,-0.8 1,-0.2 -1,-0.3 0.725 111.3 48.4 -77.2 -21.2 2.2 6.9 53.6 371 83 C L H <> S+ 0 0 61 -3,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.708 105.1 58.2 -88.8 -22.1 5.3 8.7 52.4 372 84 C S H X S+ 0 0 2 -4,-1.6 4,-2.6 1,-0.2 5,-0.4 0.880 105.4 52.9 -70.5 -38.6 4.1 12.1 53.6 373 85 C D H <>S+ 0 0 70 -4,-1.3 5,-2.2 -5,-0.2 4,-0.2 0.845 110.9 43.7 -61.7 -44.7 3.8 10.6 57.0 374 86 C L H <>S+ 0 0 66 -4,-0.8 5,-3.6 3,-0.2 6,-0.2 0.883 118.8 42.3 -73.6 -41.1 7.4 9.2 57.1 375 87 C H H <5S+ 0 0 44 -4,-1.9 6,-2.2 3,-0.2 -2,-0.2 0.873 127.2 30.0 -76.6 -39.8 9.0 12.3 55.7 376 88 C A T X5S+ 0 0 0 -4,-2.6 4,-1.4 -5,-0.2 -3,-0.2 0.940 134.1 21.9 -80.6 -76.0 7.0 14.9 57.6 377 89 C H T 45S+ 0 0 108 -5,-0.4 -3,-0.2 50,-0.3 -4,-0.1 0.961 132.8 29.9 -61.7 -64.6 6.1 13.2 60.9 378 90 C K T 4 - 0 0 3 1,-0.2 3,-1.9 -204,-0.1 4,-0.5 -0.553 21.1-133.4 -65.9 128.9 13.2 20.2 56.1 383 95 C P T >> S+ 0 0 33 0, 0.0 3,-1.3 0, 0.0 4,-0.8 0.778 102.5 68.7 -57.8 -26.8 10.8 21.2 53.3 384 96 C V H >> S+ 0 0 26 1,-0.3 3,-0.8 2,-0.2 4,-0.7 0.838 89.9 63.6 -62.4 -29.8 13.5 23.2 51.6 385 97 C N H <> S+ 0 0 13 -3,-1.9 4,-1.9 1,-0.3 -1,-0.3 0.704 91.4 64.4 -68.1 -22.9 15.3 19.9 50.8 386 98 C F H <> S+ 0 0 20 -3,-1.3 4,-1.3 -4,-0.5 -1,-0.3 0.874 99.3 52.9 -65.9 -35.2 12.4 18.9 48.6 387 99 C K H < S+ 0 0 0 -4,-2.6 3,-0.7 -5,-0.2 4,-0.4 0.928 114.4 41.8 -52.4 -52.4 19.8 14.4 36.0 397 109 C L H >X S+ 0 0 4 -4,-2.9 4,-2.3 1,-0.3 3,-1.9 0.921 111.2 55.5 -61.7 -46.4 17.1 14.2 33.3 398 110 C A H 3< S+ 0 0 0 -4,-3.7 -1,-0.3 1,-0.3 -2,-0.2 0.776 107.5 53.9 -55.2 -24.2 18.5 17.1 31.4 399 111 C C T << S+ 0 0 3 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.493 114.9 33.2-101.4 -6.6 21.7 15.2 31.2 400 112 C H T <4 S+ 0 0 49 -3,-1.9 -2,-0.2 -4,-0.4 -1,-0.2 0.528 126.4 38.4-119.1 -15.6 20.5 11.9 29.8 401 113 C L X + 0 0 32 -4,-2.3 4,-2.1 -5,-0.2 3,-0.3 -0.391 60.4 151.1-132.7 56.2 17.8 13.2 27.6 402 114 C P T 4 S+ 0 0 40 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.864 79.9 51.5 -56.4 -37.5 19.1 16.5 26.1 403 115 C N T 4 S+ 0 0 115 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.886 116.2 37.3 -57.8 -46.0 16.9 15.8 23.0 404 116 C D T 4 S+ 0 0 55 -3,-0.3 2,-1.7 1,-0.2 -1,-0.2 0.630 90.9 90.3 -95.4 -12.5 13.7 15.2 25.0 405 117 C F < + 0 0 5 -4,-2.1 -1,-0.2 -7,-0.1 140,-0.0 -0.387 58.8 169.5 -84.1 59.1 14.1 17.8 27.7 406 118 C T > - 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