==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE, OXYGEN TRANSPORT 13-APR-10 3MJU . COMPND 2 MOLECULE: HEMOGLOBIN SUBUNIT ALPHA-A; . SOURCE 2 ORGANISM_SCIENTIFIC: COLUMBA LIVIA; . AUTHOR PON.SATHYA MOORTHY,M.BALASUBRAMANIAN,M.THENMOZHI,M.N.PONNUSW . 287 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14304.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 71.8 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 . 8 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 17.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 48.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 4 1 1 0 2 1 0 0 1 2 1 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A V 0 0 175 0, 0.0 2,-0.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 157.5 -0.1 -33.0 4.7 2 2 A L - 0 0 34 71,-0.1 2,-0.2 125,-0.1 3,-0.0 -0.766 360.0-169.0 -85.9 123.2 2.6 -30.7 3.4 3 3 A S >> - 0 0 75 -2,-0.6 4,-3.0 1,-0.0 3,-0.7 -0.544 45.8 -82.9 -93.8 174.5 1.6 -27.9 1.1 4 4 A A H 3> S+ 0 0 68 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.898 130.7 47.7 -43.4 -60.8 4.1 -25.8 -0.9 5 5 A N H 3> S+ 0 0 108 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.817 113.8 49.4 -57.8 -32.8 4.9 -23.4 2.0 6 6 A D H <> S+ 0 0 15 -3,-0.7 4,-2.9 2,-0.2 5,-0.2 0.993 115.1 43.3 -58.9 -63.8 5.4 -26.4 4.3 7 7 A K H < S+ 0 0 44 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.721 119.7 45.9 -53.4 -26.5 7.6 -28.0 1.6 8 8 A S H X S+ 0 0 58 -4,-2.6 4,-3.1 -5,-0.3 -1,-0.2 0.801 110.4 47.8 -92.9 -34.7 9.3 -24.6 1.1 9 9 A N H X S+ 0 0 38 -4,-2.9 4,-2.3 -5,-0.3 5,-0.2 0.885 111.1 54.8 -67.4 -37.0 9.8 -23.6 4.7 10 10 A V H X S+ 0 0 0 -4,-2.9 4,-0.6 -5,-0.3 -1,-0.2 0.619 112.2 45.0 -69.4 -13.6 11.2 -27.1 5.2 11 11 A K H > S+ 0 0 85 -5,-0.2 4,-1.7 2,-0.1 3,-0.4 0.891 107.2 55.6 -86.1 -62.1 13.6 -26.2 2.3 12 12 A A H >X S+ 0 0 50 -4,-3.1 3,-1.0 1,-0.3 4,-0.8 0.855 111.9 45.2 -29.9 -60.4 14.5 -22.7 3.6 13 13 A V H >X S+ 0 0 5 -4,-2.3 4,-2.7 1,-0.3 3,-1.0 0.901 112.1 50.1 -57.5 -45.5 15.7 -24.3 6.9 14 14 A F H 3< S+ 0 0 19 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.602 103.0 62.1 -73.5 -9.5 17.6 -27.2 5.2 15 15 A A H << S+ 0 0 86 -4,-1.7 -1,-0.3 -3,-1.0 -2,-0.2 0.673 112.4 37.1 -84.4 -21.1 19.3 -24.6 2.9 16 16 A K H X< S+ 0 0 138 -3,-1.0 3,-1.5 -4,-0.8 -2,-0.2 0.867 113.2 53.5 -89.1 -48.9 20.9 -23.1 6.0 17 17 A I T 3< S+ 0 0 6 -4,-2.7 -3,-0.1 1,-0.3 -2,-0.1 0.324 81.7 96.3 -73.3 11.0 21.5 -26.2 8.1 18 18 A G T 3 S+ 0 0 54 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.861 72.4 68.7 -63.6 -36.9 23.4 -27.6 5.0 19 19 A G S < S+ 0 0 63 -3,-1.5 2,-0.4 1,-0.1 -1,-0.2 0.915 103.6 35.2 -43.3 -57.9 26.5 -26.4 6.7 20 20 A Q + 0 0 69 -4,-0.2 -1,-0.1 1,-0.1 5,-0.0 -0.868 49.9 137.1-121.6 133.7 26.5 -28.9 9.6 21 21 A A S >>S+ 0 0 24 -2,-0.4 4,-1.5 3,-0.2 5,-1.3 0.585 85.8 41.6-136.2 -52.2 25.5 -32.6 10.0 22 22 A G T 45S+ 0 0 23 3,-0.2 38,-0.2 1,-0.2 37,-0.1 0.288 125.8 45.5 -77.8 7.2 28.1 -34.5 12.0 23 23 A D T 45S+ 0 0 96 36,-0.1 -1,-0.2 37,-0.1 -3,-0.1 0.506 130.5 19.0-118.4 -23.9 27.9 -31.3 14.0 24 24 A L T >5S+ 0 0 1 2,-0.1 4,-0.9 -7,-0.1 3,-0.5 0.753 126.1 45.6-119.6 -47.8 24.0 -31.0 14.1 25 25 A G T <5S+ 0 0 1 -4,-1.5 4,-0.3 1,-0.2 3,-0.2 0.821 115.1 56.1 -62.4 -29.5 22.5 -34.4 13.3 26 26 A G T > S+ 0 0 47 -3,-0.5 4,-0.9 1,-0.2 -1,-0.2 0.698 98.8 62.2 -86.4 -19.7 23.9 -33.4 18.6 28 28 A A H < S+ 0 0 1 -4,-0.9 -1,-0.2 -3,-0.2 4,-0.2 0.562 102.3 50.8 -80.3 -10.8 20.3 -34.6 18.5 29 29 A L H > S+ 0 0 9 -3,-0.4 4,-2.6 -4,-0.3 5,-0.2 0.773 106.7 51.6 -95.6 -34.4 21.3 -38.2 19.4 30 30 A E H X S+ 0 0 35 -4,-0.8 4,-1.2 2,-0.2 -2,-0.2 0.789 112.0 50.4 -60.5 -34.6 23.4 -37.2 22.5 31 31 A R H X S+ 0 0 2 -4,-0.9 4,-1.5 2,-0.2 5,-0.2 0.744 110.4 50.8 -72.4 -26.9 20.2 -35.3 23.4 32 32 A L H > S+ 0 0 17 -4,-0.2 4,-2.2 2,-0.2 7,-0.3 0.940 111.7 42.5 -78.9 -50.1 18.2 -38.5 22.8 33 33 A F H < S+ 0 0 12 -4,-2.6 7,-0.2 2,-0.2 -2,-0.2 0.799 118.0 47.9 -67.6 -29.7 20.3 -40.9 24.9 34 34 A I H < S+ 0 0 40 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.925 120.1 34.3 -76.9 -47.7 20.6 -38.3 27.8 35 35 A T H < S+ 0 0 21 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.2 0.812 134.5 29.8 -76.4 -32.4 16.9 -37.3 28.0 36 36 A Y >< + 0 0 19 -4,-2.2 3,-1.1 -5,-0.2 -1,-0.3 -0.749 65.1 171.8-129.0 82.8 15.7 -40.8 27.1 37 37 A P G > S+ 0 0 64 0, 0.0 3,-4.6 0, 0.0 4,-0.2 0.965 73.0 74.1 -53.4 -53.7 18.2 -43.3 28.4 38 38 A Q G > S+ 0 0 98 1,-0.3 3,-2.3 2,-0.2 4,-0.1 0.659 84.4 64.3 -25.6 -45.4 15.8 -46.1 27.5 39 39 A T G X S+ 0 0 6 -3,-1.1 3,-1.1 1,-0.3 -1,-0.3 0.580 82.4 79.2 -66.4 -12.7 16.5 -45.6 23.7 40 40 A K G X S+ 0 0 96 -3,-4.6 3,-1.0 -4,-0.2 -1,-0.3 0.539 74.4 79.4 -62.5 -12.7 20.1 -46.7 24.6 41 41 A T G < S+ 0 0 101 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.725 84.6 59.7 -69.4 -23.4 18.6 -50.3 24.5 42 42 A Y G < S+ 0 0 67 -3,-1.1 -1,-0.2 1,-0.2 3,-0.2 0.596 103.9 53.3 -77.9 -12.5 18.7 -50.2 20.7 43 43 A F X + 0 0 37 -3,-1.0 3,-0.7 1,-0.1 -1,-0.2 -0.498 50.2 137.8-125.3 60.6 22.6 -49.7 20.8 44 44 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.825 81.8 56.8 -70.6 -25.6 24.3 -52.4 22.9 45 45 A H T 3 S+ 0 0 126 -3,-0.2 2,-0.2 2,-0.1 -2,-0.1 0.603 101.1 81.6 -73.9 -12.4 26.9 -52.5 20.1 46 46 A F S < S- 0 0 44 -3,-0.7 2,-0.5 -6,-0.2 -3,-0.1 -0.529 75.0-131.5 -96.3 154.4 27.5 -48.8 20.6 47 47 A D - 0 0 72 -2,-0.2 8,-0.4 1,-0.1 7,-0.2 -0.928 22.5-178.6 -91.6 130.1 29.5 -46.6 23.0 48 48 A L + 0 0 35 -2,-0.5 3,-0.2 6,-0.1 -1,-0.1 0.514 32.7 131.2-111.2 -5.1 27.2 -43.9 24.3 49 49 A S S > S- 0 0 74 1,-0.2 3,-2.1 2,-0.1 6,-0.1 -0.224 78.3 -77.5 -46.3 124.7 29.7 -42.0 26.5 50 50 A H T 3 S+ 0 0 111 1,-0.2 -1,-0.2 -20,-0.1 -2,-0.1 0.077 116.7 10.9 -26.7 103.1 29.8 -38.2 25.9 51 51 A G T 3 S+ 0 0 59 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.127 83.3 154.8 118.4 -17.8 31.8 -37.7 22.7 52 52 A S <> - 0 0 17 -3,-2.1 4,-1.7 1,-0.1 5,-0.2 0.243 53.9-113.9 -55.9 164.3 32.3 -41.1 21.0 53 53 A A H > S+ 0 0 89 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.470 111.1 58.9 -76.0 -0.9 33.0 -41.9 17.3 54 54 A Q H >>S+ 0 0 71 -7,-0.2 4,-4.1 3,-0.2 5,-0.7 0.908 107.4 39.0 -95.0 -52.1 29.6 -43.6 17.1 55 55 A I H 45S+ 0 0 3 -8,-0.4 4,-0.3 2,-0.2 -26,-0.2 0.796 119.0 51.2 -68.5 -30.8 27.2 -40.9 18.1 56 56 A K H X5S+ 0 0 127 -4,-1.7 4,-2.1 3,-0.2 -1,-0.2 0.967 122.2 32.3 -57.3 -52.3 29.3 -38.4 16.1 57 57 A G H X5S+ 0 0 30 -4,-0.6 4,-0.7 2,-0.3 -2,-0.2 0.840 120.8 42.7 -88.0 -43.5 29.2 -40.7 13.1 58 58 A H H >X5S+ 0 0 57 -4,-4.1 4,-1.4 2,-0.2 3,-0.6 0.849 114.0 60.5 -66.0 -33.0 25.9 -42.5 13.1 59 59 A G H >>X S+ 0 0 3 -4,-1.4 4,-2.1 -42,-0.2 3,-0.7 0.937 104.9 58.8 -57.8 -44.5 20.9 -35.8 9.3 64 64 A E H 3X S+ 0 0 92 -4,-0.8 4,-5.5 1,-0.3 3,-0.3 0.902 104.2 45.8 -56.7 -54.4 21.5 -37.2 5.7 65 65 A A H 3X S+ 0 0 30 -4,-1.5 4,-2.0 1,-0.3 -1,-0.3 0.725 116.0 48.8 -64.3 -22.0 18.3 -39.2 5.4 66 66 A L H << S+ 0 0 17 -4,-1.0 4,-0.3 -3,-0.7 -1,-0.3 0.730 116.4 42.6 -83.1 -28.1 16.5 -36.1 6.8 67 67 A V H X S+ 0 0 39 -4,-2.1 4,-1.4 -3,-0.3 3,-0.4 0.889 119.4 43.1 -80.4 -46.6 18.4 -33.9 4.3 68 68 A E H >X S+ 0 0 87 -4,-5.5 3,-1.1 1,-0.2 4,-1.0 0.968 111.1 55.7 -59.1 -51.4 17.8 -36.5 1.6 69 69 A A H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.716 107.1 51.9 -54.5 -22.5 14.2 -36.8 2.8 70 70 A A H >4 S+ 0 0 2 -3,-0.4 3,-1.0 -4,-0.3 -1,-0.3 0.802 101.4 58.7 -83.1 -32.7 13.9 -33.1 2.3 71 71 A N H << S+ 0 0 110 -4,-1.4 -2,-0.2 -3,-1.1 -1,-0.2 0.652 112.1 41.6 -68.8 -18.4 15.2 -33.2 -1.3 72 72 A H T >< S+ 0 0 88 -4,-1.0 3,-1.2 1,-0.1 -1,-0.3 -0.334 71.7 157.6-123.8 47.1 12.4 -35.5 -2.2 73 73 A I T < S+ 0 0 12 -3,-1.0 3,-0.2 1,-0.3 -71,-0.1 0.552 73.7 47.3 -57.2 -11.4 9.6 -33.8 -0.3 74 74 A D T 3 S+ 0 0 134 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.754 121.2 31.3 -98.4 -33.4 6.9 -35.3 -2.5 75 75 A D <> + 0 0 100 -3,-1.2 4,-0.6 1,-0.1 -1,-0.2 -0.822 66.1 144.0-131.7 89.4 8.1 -38.9 -2.5 76 76 A I H > + 0 0 26 -2,-0.4 4,-1.0 -3,-0.2 -1,-0.1 0.702 63.1 69.2-102.6 -27.1 9.8 -39.7 0.8 77 77 A A H 4 S+ 0 0 56 1,-0.2 3,-0.5 2,-0.2 7,-0.2 0.945 111.0 34.5 -56.5 -51.0 8.6 -43.3 1.2 78 78 A G H >4 S+ 0 0 43 1,-0.2 3,-1.2 -6,-0.1 4,-0.2 0.873 111.4 62.2 -70.5 -38.6 10.8 -44.3 -1.7 79 79 A A H 3< S+ 0 0 26 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.641 116.4 33.9 -64.5 -14.4 13.5 -41.8 -0.8 80 80 A L T 3X S+ 0 0 3 -4,-1.0 4,-1.0 -3,-0.5 -1,-0.3 -0.555 81.7 135.0-133.8 62.6 13.7 -43.8 2.5 81 81 A S H <> S+ 0 0 74 -3,-1.2 4,-0.5 2,-0.2 -2,-0.1 0.958 73.4 37.4 -80.3 -54.7 13.0 -47.2 1.1 82 82 A K H >> S+ 0 0 145 -4,-0.2 3,-2.8 1,-0.2 4,-1.5 0.996 114.0 56.4 -56.6 -64.1 15.7 -49.3 2.8 83 83 A L H 3> S+ 0 0 55 1,-0.3 4,-1.3 2,-0.2 5,-0.2 0.737 98.5 59.0 -41.2 -46.6 15.5 -47.4 6.1 84 84 A S H 3X S+ 0 0 10 -4,-1.0 4,-0.6 -7,-0.2 55,-0.4 0.665 112.2 41.4 -61.8 -21.5 11.8 -48.0 6.7 85 85 A D H S+ 0 0 81 -3,-2.8 4,-2.8 -4,-0.5 5,-1.7 0.894 110.5 53.8 -88.2 -54.3 12.3 -51.8 6.7 86 86 A L H <>S+ 0 0 47 -4,-1.5 5,-1.7 1,-0.2 -2,-0.2 0.660 120.3 37.1 -53.5 -19.1 15.5 -51.9 8.7 87 87 A H H <5S+ 0 0 47 -4,-1.3 6,-2.7 -5,-0.3 -1,-0.2 0.708 125.9 34.3-102.9 -28.8 13.6 -49.9 11.3 88 88 A A H <5S+ 0 0 6 -4,-0.6 -3,-0.2 -3,-0.3 -2,-0.2 0.797 130.7 23.0-103.6 -37.8 10.2 -51.4 11.1 89 89 A Q T <5S+ 0 0 97 -4,-2.8 -3,-0.2 -5,-0.1 -4,-0.1 0.833 131.5 31.2 -92.5 -45.1 10.7 -55.2 10.3 90 90 A K T - 0 0 82 -2,-0.3 3,-2.2 1,-0.1 4,-0.3 -0.301 28.5-121.4 -52.9 127.7 8.8 -48.6 18.9 95 95 A P T > S+ 0 0 59 0, 0.0 3,-2.2 0, 0.0 4,-0.5 0.815 107.6 57.8 -38.9 -53.4 6.8 -45.9 17.1 96 96 A V T 3> S+ 0 0 58 1,-0.3 4,-1.5 2,-0.2 3,-0.4 0.765 86.4 78.2 -57.4 -24.4 7.1 -43.2 19.8 97 97 A N H <> S+ 0 0 23 -3,-2.2 4,-1.1 1,-0.2 -1,-0.3 0.683 90.1 58.2 -64.8 -11.8 10.9 -43.4 19.6 98 98 A F H <> S+ 0 0 34 -3,-2.2 4,-4.5 -4,-0.3 5,-0.3 0.932 99.2 52.8 -77.6 -48.8 10.6 -41.3 16.5 99 99 A K H > S+ 0 0 90 -4,-0.5 4,-3.6 -3,-0.4 5,-0.2 0.887 110.5 50.7 -56.6 -42.0 8.7 -38.2 18.0 100 100 A L H X S+ 0 0 14 -4,-1.5 4,-2.8 2,-0.2 -1,-0.3 0.925 114.8 41.1 -59.3 -49.9 11.4 -38.0 20.6 101 101 A L H X S+ 0 0 42 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.973 116.6 50.2 -61.3 -52.6 14.2 -38.1 17.9 102 102 A G H X S+ 0 0 12 -4,-4.5 4,-1.3 1,-0.3 -2,-0.2 0.905 114.8 43.7 -47.9 -49.7 12.1 -35.8 15.7 103 103 A H H X S+ 0 0 22 -4,-3.6 4,-1.7 -5,-0.3 -1,-0.3 0.841 110.2 56.4 -65.5 -37.2 11.7 -33.5 18.7 104 104 A C H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.848 105.2 52.9 -60.7 -35.7 15.4 -33.9 19.5 105 105 A F H X S+ 0 0 7 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.845 105.1 54.3 -69.1 -33.4 16.1 -32.7 16.0 106 106 A L H X S+ 0 0 5 -4,-1.3 4,-2.2 -5,-0.2 -2,-0.2 0.911 104.1 55.1 -67.0 -40.1 14.0 -29.6 16.6 107 107 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.930 104.7 51.8 -56.2 -51.9 15.9 -28.6 19.7 108 108 A V H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.3 5,-0.3 0.843 112.4 45.9 -60.6 -35.3 19.3 -28.7 18.0 109 109 A V H X S+ 0 0 3 -4,-1.3 4,-2.2 2,-0.2 -1,-0.3 0.820 112.8 50.3 -74.7 -31.8 18.0 -26.4 15.3 110 110 A A H < S+ 0 0 0 -4,-2.2 -2,-0.2 2,-0.2 151,-0.2 0.786 111.4 53.2 -71.7 -29.5 16.4 -24.2 18.0 111 111 A V H < S+ 0 0 9 -4,-2.6 -2,-0.2 -5,-0.2 151,-0.2 0.996 125.9 16.8 -62.5 -66.9 19.9 -24.3 19.6 112 112 A H H < S+ 0 0 54 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.774 131.1 40.7 -86.0 -30.4 21.9 -23.1 16.6 113 113 A F >X + 0 0 43 -4,-2.2 4,-1.2 -5,-0.3 3,-0.9 -0.526 64.6 152.9-124.6 65.3 19.4 -21.5 14.2 114 114 A P T 34 + 0 0 60 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.975 66.6 52.0 -56.4 -69.6 17.0 -19.5 16.4 115 115 A S T 34 S+ 0 0 122 1,-0.2 3,-0.1 143,-0.1 -5,-0.1 0.241 108.2 54.1 -68.8 14.8 15.7 -16.7 14.0 116 116 A L T <4 S+ 0 0 50 -3,-0.9 2,-2.4 -2,-0.3 5,-0.2 0.751 92.2 70.8 -93.8 -65.3 14.8 -19.2 11.3 117 117 A L < + 0 0 7 -4,-1.2 -1,-0.1 -8,-0.2 -2,-0.0 -0.237 68.3 164.4 -54.5 71.7 12.5 -21.5 13.4 118 118 A T > - 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0 0 14 -3,-3.2 2,-1.3 1,-0.0 3,-0.1 -0.734 68.5-139.5 -85.1 129.9 13.4 -16.6 31.8 161 19 B N > - 0 0 83 -2,-0.4 4,-2.6 1,-0.2 5,-0.5 -0.720 15.9-161.5 -87.2 88.4 11.4 -13.6 30.8 162 20 B V T 4 S+ 0 0 40 -2,-1.3 48,-0.2 1,-0.2 -1,-0.2 0.672 86.7 49.4 -46.0 -29.2 8.0 -14.9 31.9 163 21 B A T >> S+ 0 0 37 3,-0.1 4,-1.4 2,-0.1 3,-0.8 0.974 115.8 37.2 -71.4 -61.1 6.3 -12.3 29.7 164 22 B D H 3> S+ 0 0 80 1,-0.3 4,-1.0 -3,-0.2 -2,-0.2 0.814 121.7 42.1 -70.6 -37.9 8.2 -12.9 26.4 165 23 B C H 3X S+ 0 0 2 -4,-2.6 4,-0.9 2,-0.2 -1,-0.3 0.386 106.8 73.1 -86.2 2.9 8.5 -16.6 26.6 166 24 B G H <> S+ 0 0 2 -3,-0.8 4,-1.0 -5,-0.5 3,-0.4 0.950 102.3 32.9 -78.3 -56.4 4.9 -16.5 27.8 167 25 B A H X S+ 0 0 4 -4,-1.4 4,-4.8 1,-0.2 3,-0.5 0.910 114.7 65.3 -66.6 -36.9 3.2 -15.7 24.6 168 26 B E H X S+ 0 0 57 -4,-1.0 4,-1.2 1,-0.3 -1,-0.2 0.791 102.1 43.9 -53.0 -41.6 5.8 -17.7 22.8 169 27 B A H X S+ 0 0 2 -4,-0.9 4,-0.8 -3,-0.4 -1,-0.3 0.785 122.9 39.5 -76.3 -28.7 4.9 -21.1 24.3 170 28 B L H X S+ 0 0 4 -4,-1.0 4,-1.9 -3,-0.5 -2,-0.2 0.903 112.8 51.1 -90.4 -49.4 1.2 -20.4 23.8 171 29 B A H X S+ 0 0 5 -4,-4.8 4,-1.1 1,-0.2 -3,-0.2 0.849 114.2 48.6 -54.2 -36.5 1.3 -18.7 20.4 172 30 B R H X S+ 0 0 11 -4,-1.2 4,-2.8 -5,-0.4 5,-0.3 0.863 109.8 50.9 -70.9 -37.5 3.4 -21.7 19.2 173 31 B L H X S+ 0 0 17 -4,-0.8 4,-0.5 1,-0.2 7,-0.3 0.729 109.0 50.5 -74.5 -25.1 0.9 -24.2 20.7 174 32 B L H < S+ 0 0 0 -4,-1.9 7,-0.3 2,-0.1 -1,-0.2 0.809 118.3 39.4 -79.1 -30.5 -2.1 -22.6 19.0 175 33 B I H < S+ 0 0 29 -4,-1.1 -2,-0.2 -5,-0.2 -3,-0.1 0.927 120.2 38.5 -85.2 -54.9 -0.3 -22.7 15.7 176 34 B V H < S+ 0 0 13 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.1 0.679 130.9 32.5 -78.6 -11.2 1.5 -26.0 15.6 177 35 B Y S >< S+ 0 0 26 -4,-0.5 3,-1.9 -5,-0.3 -1,-0.3 -0.483 72.7 166.7-136.0 68.5 -1.5 -27.7 17.4 178 36 B P G > + 0 0 68 0, 0.0 3,-0.5 0, 0.0 4,-0.1 0.423 63.7 76.2 -78.2 -0.3 -4.5 -25.9 16.1 179 37 B W G 3 S+ 0 0 137 1,-0.2 3,-0.3 2,-0.1 -5,-0.1 0.490 90.9 66.5 -77.5 -4.4 -7.2 -28.3 17.3 180 38 B T G X S+ 0 0 7 -3,-1.9 3,-1.9 -7,-0.3 4,-0.3 0.715 77.1 76.5 -84.1 -26.1 -6.3 -26.6 20.6 181 39 B Q G X S+ 0 0 55 -3,-0.5 3,-0.9 -7,-0.3 -1,-0.2 0.627 76.6 84.2 -55.6 -14.2 -7.7 -23.2 19.5 182 40 B R G 3 S+ 0 0 164 -3,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.724 87.9 47.9 -65.0 -23.8 -11.0 -24.8 20.3 183 41 B F G < S+ 0 0 65 -3,-1.9 3,-0.3 1,-0.2 -1,-0.3 0.580 109.3 55.7 -91.8 -12.0 -10.7 -24.0 24.0 184 42 B F X + 0 0 31 -3,-0.9 3,-1.6 -4,-0.3 -1,-0.2 -0.069 62.4 118.8-111.9 28.2 -9.7 -20.3 23.2 185 43 B S G > S+ 0 0 98 -3,-0.4 3,-1.0 1,-0.3 -1,-0.2 0.822 74.7 61.7 -63.4 -29.5 -12.7 -19.3 21.1 186 44 B S G 3 S+ 0 0 102 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.176 87.3 80.7 -78.6 18.8 -13.3 -16.7 23.8 187 45 B F G < S- 0 0 26 -3,-1.6 14,-0.4 1,-0.4 15,-0.3 0.467 96.3-121.8-104.3 -4.0 -9.9 -15.3 22.9 188 46 B G < + 0 0 50 -3,-1.0 2,-0.6 -4,-0.1 -1,-0.4 -0.624 68.4 4.7 96.6-157.7 -10.9 -13.2 19.8 189 47 B N + 0 0 105 -2,-0.2 3,-0.1 1,-0.1 10,-0.1 -0.515 59.5 158.0 -73.1 108.4 -9.5 -13.5 16.3 190 48 B L + 0 0 15 -2,-0.6 -1,-0.1 1,-0.1 -9,-0.1 -0.194 32.5 114.6-123.0 41.2 -7.0 -16.5 16.0 191 49 B S S S+ 0 0 97 1,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.021 72.9 39.7-107.5 30.0 -7.1 -17.3 12.2 192 50 B S S >> S- 0 0 49 1,-0.1 4,-3.4 -3,-0.1 3,-0.7 -0.930 76.8-119.6-171.4 145.9 -3.5 -16.4 11.4 193 51 B A H 3> S+ 0 0 17 -2,-0.3 4,-3.8 1,-0.2 5,-0.4 0.962 116.6 59.1 -53.4 -51.0 0.0 -16.7 12.9 194 52 B T H 3> S+ 0 0 121 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.788 115.0 35.9 -47.4 -35.4 0.2 -12.9 12.8 195 53 B A H <> S+ 0 0 21 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.826 114.3 54.0 -89.7 -39.3 -2.9 -12.9 15.1 196 54 B I H < S+ 0 0 4 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.847 116.4 41.4 -64.0 -35.9 -2.1 -16.0 17.2 197 55 B S H < S+ 0 0 49 -4,-3.8 -1,-0.2 -5,-0.3 -2,-0.2 0.872 123.2 43.1 -68.0 -37.5 1.3 -14.3 17.9 198 56 B G H < S+ 0 0 50 -4,-0.7 -2,-0.2 -5,-0.4 -3,-0.1 0.391 75.1 113.9-104.4 -3.5 -0.5 -10.9 18.3 199 57 B N X - 0 0 20 -4,-1.9 4,-2.2 1,-0.1 -11,-0.1 -0.478 56.2-141.9 -69.5 138.3 -3.7 -11.2 20.4 200 58 B P H > S+ 0 0 94 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.838 101.9 53.1 -63.8 -38.5 -3.7 -9.4 23.8 201 59 B N H 4 S+ 0 0 86 -14,-0.4 4,-0.3 2,-0.2 5,-0.2 0.929 112.9 42.6 -64.3 -49.0 -5.8 -12.2 25.4 202 60 B V H >> S+ 0 0 0 -15,-0.3 4,-1.7 1,-0.2 3,-1.2 0.905 111.1 60.0 -59.6 -44.2 -3.3 -14.8 24.3 203 61 B K H 3X S+ 0 0 94 -4,-2.2 4,-1.4 1,-0.2 3,-0.2 0.928 111.7 36.0 -46.1 -56.5 -0.5 -12.5 25.3 204 62 B A H 3< S+ 0 0 59 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.212 111.1 59.5 -96.9 15.1 -1.5 -12.3 28.9 205 63 B H H <> S+ 0 0 59 -3,-1.2 4,-2.2 -4,-0.3 -1,-0.2 0.614 104.0 54.3 -98.8 -29.9 -2.7 -15.9 29.3 206 64 B G H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.4 0.981 102.5 53.6 -61.6 -60.1 0.8 -17.0 28.3 207 65 B K H X S+ 0 0 112 -4,-1.4 4,-1.1 1,-0.3 -1,-0.2 0.815 113.2 47.3 -44.3 -37.2 2.5 -14.9 31.0 208 66 B K H > S+ 0 0 148 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.896 108.7 52.2 -71.4 -46.2 0.1 -16.8 33.4 209 67 B V H < S+ 0 0 31 -4,-2.2 4,-0.3 -3,-0.3 3,-0.2 0.873 116.2 39.3 -60.3 -40.2 0.8 -20.3 32.0 210 68 B L H >X S+ 0 0 2 -4,-2.4 3,-0.9 -48,-0.2 4,-0.7 0.748 106.5 64.5 -84.7 -26.1 4.5 -19.9 32.3 211 69 B T H 3< S+ 0 0 67 -4,-1.1 4,-0.4 -5,-0.4 -1,-0.2 0.681 96.9 61.5 -63.5 -20.7 4.0 -18.1 35.7 212 70 B S T 3< S+ 0 0 28 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.710 96.0 57.3 -79.0 -23.4 2.6 -21.6 36.6 213 71 B F T X> S+ 0 0 18 -3,-0.9 4,-2.0 -4,-0.3 3,-0.7 0.743 96.6 61.5 -79.3 -21.6 6.0 -23.2 35.9 214 72 B G H 3X S+ 0 0 9 -4,-0.7 4,-1.8 1,-0.2 5,-0.2 0.722 99.2 58.3 -70.8 -23.4 7.7 -20.9 38.5 215 73 B D H 34 S+ 0 0 78 -4,-0.4 4,-0.3 2,-0.2 -1,-0.2 0.544 107.2 47.2 -78.1 -15.0 5.4 -22.6 41.0 216 74 B A H <4 S+ 0 0 0 -3,-0.7 -2,-0.2 -4,-0.1 6,-0.2 0.849 111.6 50.4 -86.3 -44.4 6.9 -25.9 40.0 217 75 B V H >< S+ 0 0 5 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.934 111.7 42.4 -63.3 -55.5 10.5 -24.7 40.2 218 76 B K T 3< S+ 0 0 176 -4,-1.8 2,-0.5 1,-0.2 -1,-0.2 0.840 121.1 42.6 -59.2 -37.2 10.5 -23.1 43.7 219 77 B N T > S+ 0 0 79 -4,-0.3 3,-1.8 -5,-0.2 -1,-0.2 -0.531 70.4 162.5-113.0 62.7 8.5 -25.9 45.3 220 78 B L T < + 0 0 12 -3,-0.6 3,-0.2 -2,-0.5 -1,-0.1 0.446 69.3 50.4 -74.8 -0.5 10.2 -29.0 43.7 221 79 B D T 3 S+ 0 0 132 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.488 108.9 48.8-108.5 -7.8 8.9 -31.6 46.2 222 80 B N <> + 0 0 92 -3,-1.8 4,-1.7 -6,-0.2 -1,-0.1 -0.251 52.8 133.8-136.5 45.0 5.2 -30.7 46.1 223 81 B I H > S+ 0 0 11 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.767 74.2 67.7 -70.8 -24.6 4.0 -30.4 42.6 224 82 B K H 4 S+ 0 0 103 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.993 105.9 37.2 -45.9 -70.9 1.0 -32.5 43.8 225 83 B G H >4 S+ 0 0 46 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.766 114.1 55.2 -59.8 -35.3 -0.3 -29.7 46.0 226 84 B T H >< S+ 0 0 43 -4,-1.7 3,-0.6 1,-0.2 4,-0.3 0.988 118.5 28.4 -66.9 -60.1 0.5 -26.8 43.7 227 85 B F T 3< S+ 0 0 2 -4,-1.6 4,-0.5 1,-0.2 -1,-0.2 -0.104 90.0 104.6 -96.3 37.7 -1.3 -27.9 40.6 228 86 B A T <> S+ 0 0 31 -3,-0.7 4,-0.9 2,-0.2 -1,-0.2 0.831 85.0 44.0 -83.1 -33.3 -4.0 -29.9 42.3 229 87 B Q H <> S+ 0 0 134 -3,-0.6 4,-1.9 -4,-0.3 -2,-0.1 0.784 115.9 48.3 -77.8 -29.6 -6.6 -27.2 41.8 230 88 B L H > S+ 0 0 61 -4,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.637 100.8 65.9 -82.1 -16.9 -5.4 -26.8 38.2 231 89 B S H 4 S+ 0 0 0 -4,-0.5 55,-0.3 2,-0.2 54,-0.3 0.887 107.9 41.5 -65.8 -40.4 -5.5 -30.7 37.8 232 90 B E H >X>S+ 0 0 88 -4,-0.9 3,-3.0 2,-0.2 5,-1.0 0.968 113.2 49.7 -67.1 -58.9 -9.3 -30.3 38.2 233 91 B L H 3<>S+ 0 0 71 -4,-1.9 5,-0.7 1,-0.3 -2,-0.2 0.770 110.5 52.4 -60.6 -26.3 -9.7 -27.2 36.0 234 92 B H T 3<5S+ 0 0 54 -4,-1.5 6,-0.8 3,-0.1 -1,-0.3 0.228 126.7 23.0 -91.5 15.5 -7.7 -28.9 33.3 235 93 B C T <>5S+ 0 0 3 -3,-3.0 4,-1.0 4,-0.2 -2,-0.2 0.305 125.0 32.5-134.0 -86.2 -10.0 -31.9 33.6 236 94 B D T <5S+ 0 0 106 -4,-0.6 -3,-0.2 1,-0.2 -4,-0.1 0.700 125.6 41.4 -56.6 -26.5 -13.6 -31.6 35.0 237 95 B K T 4> - 0 0 100 -2,-0.7 3,-1.8 1,-0.1 4,-0.6 -0.233 19.5-121.0 -59.0 130.9 -6.6 -34.7 26.9 242 100 B P H >> S+ 0 0 55 0, 0.0 4,-1.3 0, 0.0 3,-1.0 0.778 110.1 66.1 -36.9 -45.4 -3.4 -35.5 28.7 243 101 B E H 3> S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.917 93.6 60.0 -48.1 -48.7 -1.5 -35.7 25.4 244 102 B N H <> S+ 0 0 23 -3,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.801 103.7 50.1 -47.5 -42.9 -2.1 -31.9 24.9 245 103 B F H < S- 0 0 34 -4,-2.7 3,-1.7 1,-0.2 4,-0.2 0.400 84.4-172.8-121.5 -1.3 19.3 -19.7 25.8 261 119 B G G > - 0 0 19 -5,-0.3 3,-2.3 1,-0.2 -1,-0.2 -0.002 70.0 -0.7 42.8-137.0 21.3 -21.2 22.9 262 120 B K G 3 S+ 0 0 163 1,-0.3 -1,-0.2 -151,-0.2 -150,-0.1 0.675 122.7 72.9 -56.2 -21.8 24.4 -23.3 23.9 263 121 B D G < S+ 0 0 122 -3,-1.7 2,-0.7 1,-0.2 -1,-0.3 0.524 83.2 74.7 -73.9 -4.6 23.8 -22.5 27.6 264 122 B F S < S- 0 0 1 -3,-2.3 -1,-0.2 -4,-0.2 -4,-0.1 -0.775 79.5-171.5-105.8 83.2 20.9 -25.0 27.5 265 123 B T > - 0 0 53 -2,-0.7 4,-2.9 1,-0.1 5,-0.3 -0.231 37.9-100.9 -86.9 162.4 22.8 -28.2 27.4 266 124 B P H > S+ 0 0 17 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.836 126.1 47.2 -46.8 -42.7 21.7 -31.9 26.9 267 125 B E H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.946 111.8 50.5 -62.7 -49.8 21.8 -32.5 30.6 268 126 B C H > S+ 0 0 2 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.862 112.7 46.8 -55.3 -40.6 19.9 -29.3 31.2 269 127 B Q H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.4 0.860 108.1 55.3 -66.3 -40.9 17.4 -30.5 28.6 270 128 B A H < S+ 0 0 21 -4,-2.5 4,-0.4 -5,-0.3 -2,-0.2 0.842 110.8 48.2 -58.7 -33.0 17.4 -33.9 30.4 271 129 B A H X S+ 0 0 3 -4,-2.0 4,-0.8 2,-0.1 -2,-0.2 0.776 117.4 37.4 -81.3 -29.8 16.5 -31.9 33.5 272 130 B W H X S+ 0 0 0 -4,-1.4 4,-3.5 2,-0.2 -2,-0.2 0.873 110.1 55.6 -89.7 -44.6 13.6 -29.8 32.0 273 131 B Q H X S+ 0 0 6 -4,-2.5 4,-1.6 1,-0.3 -3,-0.1 0.746 112.0 50.4 -62.2 -25.2 11.9 -32.2 29.7 274 132 B K H 4 S+ 0 0 42 -4,-0.4 4,-0.5 -5,-0.4 -1,-0.3 0.871 107.6 50.5 -68.8 -46.2 11.7 -34.2 32.9 275 133 B L H >X S+ 0 0 0 -4,-0.8 4,-2.2 1,-0.2 3,-0.9 0.865 109.0 54.1 -64.8 -36.5 10.2 -31.1 34.8 276 134 B V H 3X S+ 0 0 5 -4,-3.5 4,-3.7 1,-0.2 3,-0.4 0.992 102.3 55.8 -53.6 -62.1 7.7 -30.9 32.0 277 135 B R H 3< S+ 0 0 141 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.508 113.6 42.5 -52.6 -10.7 6.7 -34.6 32.4 278 136 B V H <> S+ 0 0 36 -3,-0.9 4,-3.2 -4,-0.5 -1,-0.2 0.772 115.3 42.8-106.3 -42.5 5.8 -33.9 36.1 279 137 B V H X S+ 0 0 7 -4,-2.2 4,-1.1 -3,-0.4 -2,-0.2 0.856 117.5 54.6 -65.1 -35.7 4.1 -30.5 35.9 280 138 B A H X S+ 0 0 18 -4,-3.7 4,-1.0 -5,-0.4 -1,-0.2 0.834 112.6 40.5 -60.2 -39.5 2.5 -32.3 33.0 281 139 B H H 4 S+ 0 0 87 -5,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.856 100.5 68.7 -83.5 -34.3 1.5 -35.1 35.3 282 140 B A H < S+ 0 0 4 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.880 107.9 42.6 -48.1 -41.2 0.4 -33.1 38.3 283 141 B L H >< S+ 0 0 21 -4,-1.1 2,-2.0 1,-0.2 3,-0.8 0.881 100.0 76.0 -71.8 -42.7 -2.5 -32.0 36.2 284 142 B A T 3< S+ 0 0 17 -4,-1.0 -1,-0.2 1,-0.2 -52,-0.1 -0.513 74.3 88.6 -70.7 80.9 -3.0 -35.5 34.8 285 143 B R T 3 + 0 0 38 -2,-2.0 -1,-0.2 -54,-0.3 -2,-0.1 0.531 43.6 94.0-147.0 -33.6 -4.7 -36.8 38.0 286 144 B K S < S+ 0 0 85 -3,-0.8 -2,-0.1 -55,-0.3 -3,-0.0 0.295 117.5 11.9 -66.1 15.4 -8.4 -36.3 38.0 287 145 B Y 0 0 141 -52,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.079 360.0 360.0-135.0 -85.0 -8.5 -39.9 36.7 288 146 B H 0 0 142 -2,-0.0 -3,-0.1 0, 0.0 -2,-0.0 0.675 360.0 360.0 123.0 360.0 -5.0 -41.2 37.1