==== 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 3MJP . COMPND 2 MOLECULE: HEMOGLOBIN SUBUNIT ALPHA-A; . SOURCE 2 ORGANISM_SCIENTIFIC: COTURNIX JAPONICA; . AUTHOR M.THENMOZHI,PON.SATHYA MOORTHY,M.BALASUBRAMANIAN,M.N.PONNUSW . 574 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 453 78.9 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 . 17 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 51.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 0 2 3 0 1 2 2 3 1 1 4 1 2 2 2 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 0 120 0, 0.0 2,-0.1 0, 0.0 130,-0.0 0.000 360.0 360.0 360.0 -18.9 -6.0 13.5 11.7 2 2 A L - 0 0 18 72,-0.0 428,-0.0 129,-0.0 122,-0.0 -0.629 360.0-178.1-164.5 88.0 -9.7 14.4 12.5 3 3 A S > - 0 0 78 427,-0.2 4,-2.4 -2,-0.1 5,-0.1 0.167 43.0 -74.5 -89.1-159.3 -12.5 11.9 11.4 4 4 A A H > S+ 0 0 73 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.944 124.7 50.3 -70.3 -57.6 -16.3 11.9 11.5 5 5 A A H > S+ 0 0 68 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.908 114.7 49.1 -48.2 -44.6 -17.0 11.1 15.1 6 6 A D H > S+ 0 0 16 2,-0.2 4,-3.0 1,-0.2 3,-0.4 0.964 105.6 54.9 -58.4 -57.0 -14.6 14.0 15.9 7 7 A K H X S+ 0 0 63 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.866 110.4 46.7 -45.0 -47.3 -16.2 16.5 13.5 8 8 A T H X S+ 0 0 112 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.883 114.7 46.0 -63.7 -39.8 -19.5 16.0 15.2 9 9 A N H X S+ 0 0 43 -4,-1.7 4,-2.0 -3,-0.4 -2,-0.2 0.880 115.0 47.3 -70.2 -44.7 -18.1 16.3 18.8 10 10 A V H X S+ 0 0 0 -4,-3.0 4,-1.0 2,-0.2 -2,-0.2 0.920 112.6 47.3 -62.6 -50.7 -16.1 19.4 17.9 11 11 A K H X S+ 0 0 83 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.885 112.1 55.6 -60.5 -43.5 -19.0 21.1 16.1 12 12 A G H X S+ 0 0 32 -4,-1.9 4,-0.6 1,-0.2 3,-0.4 0.980 102.7 47.4 -48.6 -80.5 -21.2 20.3 19.1 13 13 A I H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 3,-0.3 0.728 111.8 61.0 -36.7 -26.6 -19.3 21.7 22.0 14 14 A F H X S+ 0 0 2 -4,-1.0 4,-3.9 2,-0.3 3,-0.5 0.974 95.0 48.8 -76.2 -60.7 -19.0 24.9 19.9 15 15 A A H < S+ 0 0 86 -4,-1.6 -1,-0.2 -3,-0.4 4,-0.2 0.434 115.2 56.7 -61.4 5.0 -22.5 26.2 19.1 16 16 A K H < S+ 0 0 79 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.3 0.780 112.9 33.9 -96.6 -49.5 -22.6 25.6 22.8 17 17 A I H >< S+ 0 0 2 -4,-1.6 3,-1.0 -3,-0.5 -2,-0.2 0.918 100.3 96.5 -71.1 -47.0 -19.7 27.9 23.6 18 18 A A G >< S+ 0 0 43 -4,-3.9 2,-2.1 1,-0.2 3,-1.8 0.579 75.1 46.0 -2.3 -94.6 -20.6 30.2 20.7 19 19 A G G 3 S+ 0 0 66 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.089 112.4 52.6 -69.5 31.3 -22.7 33.2 22.0 20 20 A H G X> + 0 0 73 -2,-2.1 4,-1.8 -3,-1.0 3,-1.2 -0.000 63.6 123.3-146.6 24.9 -20.4 33.8 25.0 21 21 A A H <> + 0 0 16 -3,-1.8 4,-1.1 1,-0.2 5,-0.3 0.663 63.9 72.0 -57.6 -20.4 -17.0 34.1 23.3 22 22 A E H 34 S+ 0 0 102 1,-0.2 -1,-0.2 3,-0.1 38,-0.2 0.293 117.4 18.8 -83.8 8.9 -16.4 37.6 24.8 23 23 A E H <> S+ 0 0 88 -3,-1.2 4,-1.5 36,-0.1 -2,-0.2 0.359 116.5 63.2-153.9 -21.6 -15.9 36.0 28.2 24 24 A Y H X S+ 0 0 11 -4,-1.8 4,-1.3 2,-0.2 -3,-0.2 0.764 114.7 39.7 -78.5 -29.9 -15.1 32.3 27.5 25 25 A G H X S+ 0 0 0 -4,-1.1 4,-2.2 -5,-0.3 5,-0.2 0.861 116.3 49.3 -81.4 -44.3 -12.0 33.6 25.7 26 26 A A H > S+ 0 0 7 -5,-0.3 4,-3.6 2,-0.2 5,-0.2 0.932 113.1 48.5 -61.6 -44.5 -11.3 36.3 28.3 27 27 A E H X S+ 0 0 37 -4,-1.5 4,-1.5 2,-0.2 5,-0.3 0.984 111.1 48.3 -56.1 -70.8 -11.6 33.8 31.1 28 28 A A H >X S+ 0 0 0 -4,-1.3 3,-1.0 1,-0.3 4,-0.9 0.829 118.6 40.7 -26.4 -65.1 -9.3 31.2 29.4 29 29 A L H >X S+ 0 0 3 -4,-2.2 4,-1.2 1,-0.3 3,-0.8 0.884 111.6 56.7 -56.0 -43.5 -6.7 33.9 28.7 30 30 A D H 3< S+ 0 0 27 -4,-3.6 4,-0.4 -3,-0.3 -1,-0.3 0.690 111.7 45.8 -64.9 -12.8 -7.4 35.4 32.2 31 31 A R H + 0 0 17 -4,-0.4 3,-1.7 -5,-0.2 4,-0.3 -0.727 61.1 173.5-132.7 73.2 1.3 30.4 33.9 37 37 A P T 3 S+ 0 0 59 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.578 73.7 73.2 -64.6 -5.2 3.0 33.8 34.5 38 38 A Q T > S+ 0 0 96 1,-0.2 3,-0.8 2,-0.2 4,-0.2 0.656 84.2 62.5 -80.3 -16.9 5.7 33.0 31.9 39 39 A T G X S+ 0 0 2 -3,-1.7 3,-1.7 -7,-0.4 4,-0.4 0.697 83.6 83.9 -83.8 -14.0 3.3 33.4 29.0 40 40 A K G > S+ 0 0 68 -3,-0.4 3,-0.8 -4,-0.3 -1,-0.2 0.679 71.6 74.8 -53.4 -32.8 3.1 37.1 30.2 41 41 A T G < S+ 0 0 76 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.1 0.762 91.9 54.2 -52.5 -33.2 6.3 37.8 28.2 42 42 A Y G < S+ 0 0 41 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.738 110.9 51.4 -74.9 -24.1 4.3 37.7 25.0 43 43 A F < + 0 0 39 -3,-0.8 -1,-0.3 -4,-0.4 3,-0.1 -0.818 60.3 130.0-114.9 85.8 2.1 40.3 26.6 44 44 A P S S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.295 81.7 46.3-109.0 3.7 4.2 43.3 28.0 45 45 A H S S+ 0 0 140 -3,-0.2 2,-0.3 2,-0.0 -2,-0.0 -0.298 99.5 100.6-127.9 43.1 2.1 46.1 26.4 46 46 A F S S- 0 0 45 -3,-0.1 2,-0.9 -6,-0.1 -3,-0.0 -0.922 80.0-116.8-126.3 149.0 -1.2 44.4 27.6 47 47 A D + 0 0 81 -2,-0.3 8,-0.3 1,-0.2 5,-0.1 -0.815 38.4 172.2 -90.8 107.0 -3.5 45.1 30.5 48 48 A V + 0 0 46 -2,-0.9 -1,-0.2 6,-0.1 3,-0.1 0.599 35.7 111.6 -93.9 -18.5 -3.1 41.9 32.5 49 49 A S S > S- 0 0 68 1,-0.2 3,-1.4 2,-0.1 6,-0.1 -0.058 85.2 -69.1 -55.4 158.4 -5.0 42.8 35.6 50 50 A H T 3 S- 0 0 166 1,-0.2 -1,-0.2 5,-0.0 -2,-0.0 -0.210 111.5 -6.2 -51.0 134.3 -8.3 41.0 36.3 51 51 A G T 3 S+ 0 0 20 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.449 90.6 164.1 64.3 7.5 -11.2 41.8 33.9 52 52 A S <> - 0 0 15 -3,-1.4 4,-1.3 -5,-0.1 3,-0.2 0.096 48.2-109.8 -60.0 166.3 -9.4 44.6 31.9 53 53 A A H > S+ 0 0 88 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.890 111.8 51.6 -62.3 -50.0 -10.4 46.2 28.6 54 54 A Q H > S+ 0 0 92 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.753 108.1 53.1 -63.8 -26.5 -7.5 44.8 26.4 55 55 A I H > S+ 0 0 0 -8,-0.3 4,-3.3 -3,-0.2 5,-0.2 0.885 111.8 41.8 -77.7 -43.0 -8.2 41.1 27.5 56 56 A K H X S+ 0 0 102 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.818 115.1 50.6 -74.3 -31.9 -11.9 41.0 26.7 57 57 A G H < S+ 0 0 45 -4,-1.8 4,-0.2 -5,-0.2 -1,-0.2 0.797 121.2 39.0 -71.7 -29.2 -11.4 42.9 23.4 58 58 A H H >X S+ 0 0 49 -4,-0.8 3,-5.4 -5,-0.2 4,-0.6 0.965 108.6 54.4 -75.4 -75.4 -8.7 40.3 22.7 59 59 A G H >X S+ 0 0 0 -4,-3.3 4,-1.4 1,-0.3 3,-0.9 0.702 98.1 70.4 -35.8 -42.5 -10.1 37.0 24.1 60 60 A K H 3X S+ 0 0 103 -4,-1.2 4,-2.6 1,-0.3 -1,-0.3 0.778 101.0 44.8 -36.6 -42.2 -13.1 37.7 21.8 61 61 A K H <> S+ 0 0 147 -3,-5.4 4,-1.4 -4,-0.2 -1,-0.3 0.754 100.2 67.4 -82.9 -26.6 -10.7 37.0 18.9 62 62 A V H << S+ 0 0 36 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.784 120.2 23.6 -67.4 -28.4 -9.2 33.9 20.4 63 63 A A H >X>S+ 0 0 4 -4,-1.4 4,-3.7 -42,-0.2 5,-0.6 0.774 111.0 72.0 -95.6 -45.8 -12.6 32.3 20.0 64 64 A A H 3<5S+ 0 0 42 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.714 118.4 25.3 -32.5 -31.2 -13.8 34.6 17.1 65 65 A A T 3X5S+ 0 0 33 -4,-1.4 4,-0.7 2,-0.1 -1,-0.3 0.409 114.6 67.8-112.1 -14.0 -11.2 32.5 15.1 66 66 A L T <45S+ 0 0 18 -3,-0.6 4,-0.2 -5,-0.3 -2,-0.2 0.845 112.3 33.1 -76.1 -31.6 -11.4 29.5 17.4 67 67 A V T X5S+ 0 0 36 -4,-3.7 4,-2.7 2,-0.2 -1,-0.2 0.613 110.5 61.4 -94.6 -19.2 -15.0 29.0 16.1 68 68 A E T 4< S+ 0 0 0 -4,-0.7 3,-0.6 -6,-0.3 -2,-0.2 0.752 110.4 53.1 -82.8 -27.8 -11.9 27.3 12.7 70 70 A A G >4 S+ 0 0 0 -4,-0.2 3,-1.2 1,-0.2 -2,-0.2 0.965 108.6 45.9 -68.9 -53.8 -14.7 25.2 14.1 71 71 A N G 3< S+ 0 0 99 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.1 0.001 120.9 38.9 -82.7 29.3 -17.4 26.0 11.4 72 72 A H G X S+ 0 0 116 -3,-0.6 3,-1.7 -2,-0.1 -1,-0.2 0.074 74.1 141.1-160.2 26.3 -14.9 25.4 8.5 73 73 A I G X + 0 0 8 -3,-1.2 3,-1.6 1,-0.3 4,-0.3 0.734 50.7 82.8 -55.8 -38.9 -13.0 22.4 9.9 74 74 A D G 3 S+ 0 0 142 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.651 114.5 21.4 -37.9 -20.3 -12.6 20.5 6.6 75 75 A D G X> + 0 0 93 -3,-1.7 4,-1.5 -6,-0.2 3,-0.7 -0.353 68.8 144.8-151.0 68.4 -9.6 22.9 6.3 76 76 A I H <> S+ 0 0 13 -3,-1.6 4,-1.6 1,-0.2 5,-0.3 0.959 76.1 66.9 -56.0 -50.6 -8.4 24.4 9.7 77 77 A A H 34 S+ 0 0 44 -4,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.595 107.9 37.8 -52.0 -19.9 -4.9 24.3 8.2 78 78 A G H <4 S+ 0 0 34 -3,-0.7 3,-0.5 2,-0.1 4,-0.4 0.857 110.8 51.5 -97.0 -53.1 -5.9 27.0 5.6 79 79 A T H < S+ 0 0 46 -4,-1.5 -2,-0.2 1,-0.2 4,-0.1 0.695 117.4 40.8 -58.3 -23.5 -8.2 29.5 7.4 80 80 A L S >X S+ 0 0 10 -4,-1.6 4,-1.5 1,-0.1 3,-1.3 0.604 85.5 91.2-105.4 -16.0 -5.8 30.0 10.3 81 81 A S T 34 S+ 0 0 55 -3,-0.5 4,-0.5 -5,-0.3 5,-0.1 0.757 73.8 75.1 -51.1 -27.6 -2.4 30.1 8.4 82 82 A K T >> S+ 0 0 162 -4,-0.4 4,-0.8 1,-0.2 3,-0.7 0.952 108.6 29.8 -47.6 -54.6 -2.9 33.9 8.2 83 83 A L H <> S+ 0 0 56 -3,-1.3 4,-4.5 1,-0.2 5,-0.5 0.702 99.0 85.4 -74.8 -26.4 -2.0 34.0 11.9 84 84 A S H 3< S+ 0 0 0 -4,-1.5 55,-0.6 1,-0.2 4,-0.5 0.614 98.7 43.6 -57.5 -6.9 0.3 30.9 11.6 85 85 A D H <>>S+ 0 0 50 -3,-0.7 4,-4.8 -4,-0.5 5,-2.3 0.828 108.6 51.7 -95.0 -59.7 2.7 33.6 10.5 86 86 A L H <>S+ 0 0 78 -4,-0.8 5,-3.4 1,-0.2 6,-0.4 0.873 124.6 34.8 -44.9 -38.6 1.9 36.2 13.2 87 87 A H T <5S+ 0 0 50 -4,-4.5 6,-2.2 4,-0.2 5,-0.3 0.901 127.8 34.9 -82.9 -40.7 2.5 33.2 15.5 88 88 A A T 45S+ 0 0 1 -5,-0.5 -3,-0.2 -4,-0.5 -2,-0.2 0.792 136.6 10.8 -86.5 -28.7 5.2 31.4 13.6 89 89 A Q T <5S+ 0 0 89 -4,-4.8 -3,-0.2 3,-0.1 -4,-0.1 0.721 127.5 43.0-120.4 -45.0 7.2 34.3 12.1 90 90 A K T - 0 0 7 -2,-0.4 3,-1.4 1,-0.1 4,-0.4 -0.416 24.1-134.9 -54.7 123.8 7.2 28.5 21.8 95 95 A P T >> S+ 0 0 28 0, 0.0 3,-1.3 0, 0.0 4,-0.7 0.806 97.0 78.9 -62.3 -28.4 5.0 25.6 20.9 96 96 A V H 3> S+ 0 0 24 1,-0.2 4,-0.6 2,-0.2 -2,-0.1 0.335 92.1 55.0 -55.6 1.6 5.0 24.4 24.6 97 97 A N H <> S+ 0 0 22 -3,-1.4 4,-1.1 2,-0.2 5,-0.3 0.560 81.9 76.2-113.6 -17.2 2.3 27.2 25.2 98 98 A F H <> S+ 0 0 37 -3,-1.3 4,-2.5 -4,-0.4 3,-0.4 0.928 103.5 49.3 -53.7 -36.5 -0.3 26.3 22.7 99 99 A K H X S+ 0 0 108 -4,-0.7 4,-1.9 2,-0.3 3,-0.4 0.996 103.5 54.1 -58.9 -69.8 -0.8 23.7 25.4 100 100 A L H < S+ 0 0 14 -4,-0.6 4,-0.3 1,-0.3 -1,-0.2 0.567 122.3 33.3 -43.9 -12.5 -0.9 26.1 28.3 101 101 A L H < S+ 0 0 47 -4,-1.1 4,-0.5 -3,-0.4 -1,-0.3 0.580 111.2 64.8-111.6 -29.2 -3.6 27.8 26.4 102 102 A G H < S+ 0 0 12 -4,-2.5 3,-0.4 -3,-0.4 -2,-0.2 0.978 114.3 33.0 -48.8 -65.6 -4.9 24.5 24.9 103 103 A Q S >X S+ 0 0 14 -4,-1.9 3,-4.7 2,-0.2 4,-1.6 0.956 109.9 60.1 -51.7 -69.2 -5.9 23.5 28.5 104 104 A C T 34 S+ 0 0 0 -5,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.675 105.1 57.5 -46.8 -6.1 -6.8 26.9 30.1 105 105 A F T 3> S+ 0 0 6 -4,-0.5 4,-1.3 -3,-0.4 -1,-0.3 0.683 105.5 46.2 -95.7 -17.2 -9.4 26.8 27.3 106 106 A L H <> S+ 0 0 3 -3,-4.7 4,-1.0 -4,-0.2 -2,-0.2 0.497 102.4 64.6 -98.7 -8.3 -10.7 23.5 28.6 107 107 A V H < S+ 0 0 0 -4,-1.6 4,-0.4 2,-0.1 -1,-0.2 0.482 107.4 45.9 -81.3 -7.0 -10.7 24.9 32.1 108 108 A V H >> S+ 0 0 1 -5,-0.4 3,-2.9 2,-0.1 4,-1.3 0.856 110.7 45.7 -93.5 -73.1 -13.4 27.3 30.8 109 109 A V H >X S+ 0 0 3 -4,-1.3 4,-2.5 1,-0.3 3,-1.2 0.828 113.7 55.7 -25.1 -60.5 -15.7 25.0 28.8 110 110 A A H 3< S+ 0 0 0 -4,-1.0 -1,-0.3 1,-0.3 151,-0.2 0.717 104.7 50.2 -44.6 -41.3 -15.5 22.7 31.9 111 111 A I H <4 S+ 0 0 6 -3,-2.9 151,-0.3 -4,-0.4 -1,-0.3 0.800 121.8 31.7 -73.8 -32.4 -16.6 25.3 34.3 112 112 A H H << S+ 0 0 53 -4,-1.3 -2,-0.2 -3,-1.2 -1,-0.2 0.535 132.9 26.4-107.6 -16.9 -19.7 26.4 32.3 113 113 A H >X + 0 0 44 -4,-2.5 4,-1.3 -5,-0.3 3,-1.2 -0.434 64.7 153.3-144.0 66.1 -20.6 23.1 30.5 114 114 A P T 34 S+ 0 0 64 0, 0.0 144,-0.1 0, 0.0 -4,-0.1 0.727 75.8 52.0 -72.7 -19.4 -19.4 20.3 32.7 115 115 A A T 34 S+ 0 0 97 1,-0.1 3,-0.1 -3,-0.1 -5,-0.1 0.269 109.7 48.1 -98.2 6.1 -22.1 17.9 31.4 116 116 A A T <4 S+ 0 0 18 -3,-1.2 2,-1.4 -7,-0.1 5,-0.2 0.673 92.2 74.9-106.4 -33.0 -21.3 18.4 27.7 117 117 A L < + 0 0 4 -4,-1.3 -1,-0.1 4,-0.1 141,-0.0 -0.330 69.0 169.5 -90.0 48.1 -17.6 18.1 27.8 118 118 A T > - 0 0 62 -2,-1.4 4,-3.2 -3,-0.1 5,-0.2 -0.005 53.7 -92.6 -43.7 164.2 -17.9 14.3 28.2 119 119 A P H > S+ 0 0 16 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.876 126.4 49.3 -61.1 -39.4 -14.6 12.6 27.7 120 120 A E H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.876 114.2 44.3 -68.9 -38.4 -15.1 11.9 24.0 121 121 A V H > S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.948 112.1 53.5 -71.2 -47.9 -16.0 15.6 23.3 122 122 A H H X S+ 0 0 1 -4,-3.2 4,-0.9 1,-0.2 -2,-0.2 0.770 109.3 52.6 -44.1 -34.0 -13.1 16.5 25.5 123 123 A A H < S+ 0 0 11 -4,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.925 107.1 47.9 -73.8 -46.5 -11.0 14.2 23.2 124 124 A S H >X S+ 0 0 1 -4,-2.0 4,-1.5 1,-0.3 3,-0.5 0.949 114.5 44.6 -65.8 -54.0 -12.0 15.8 19.9 125 125 A L H 3X S+ 0 0 0 -4,-2.1 4,-3.4 1,-0.3 2,-1.2 0.808 108.2 60.2 -52.4 -37.1 -11.4 19.3 21.0 126 126 A D H 3< S+ 0 0 35 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.1 -0.316 114.6 35.0 -89.7 54.5 -8.2 18.2 22.6 127 127 A K H <4 S+ 0 0 21 -2,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.115 113.9 55.2 172.8 -30.5 -7.0 17.1 19.2 128 128 A F H X S+ 0 0 0 -4,-1.5 4,-3.2 2,-0.2 3,-0.4 0.729 109.0 49.8 -75.4 -42.3 -8.7 19.8 17.3 129 129 A L T < S+ 0 0 25 -4,-3.4 -3,-0.2 1,-0.3 -4,-0.1 0.789 108.8 51.6 -64.6 -27.4 -6.6 22.0 19.8 130 130 A C T > S+ 0 0 69 2,-0.2 4,-1.4 -5,-0.2 -1,-0.3 0.566 110.0 51.6 -78.7 -15.4 -3.8 19.8 18.5 131 131 A A H > S+ 0 0 13 -3,-0.4 4,-2.0 -6,-0.2 5,-0.3 0.945 113.9 37.7 -80.8 -65.1 -5.1 20.8 15.1 132 132 A V H X S+ 0 0 12 -4,-3.2 4,-0.6 1,-0.2 -2,-0.2 0.589 114.6 66.4 -57.2 -10.3 -5.1 24.6 15.8 133 133 A G H > S+ 0 0 13 -5,-0.4 4,-0.8 2,-0.1 -1,-0.2 0.982 107.0 31.6 -70.4 -63.0 -1.9 23.6 17.6 134 134 A T H < S+ 0 0 43 -4,-1.4 3,-0.5 1,-0.2 7,-0.2 0.844 116.0 55.0 -68.7 -40.0 0.2 22.4 14.6 135 135 A V H >< S+ 0 0 25 -4,-2.0 3,-1.1 1,-0.3 -1,-0.2 0.934 105.3 52.7 -66.9 -41.8 -1.2 24.8 11.9 136 136 A L H 3< S+ 0 0 17 -4,-0.6 -1,-0.3 1,-0.3 3,-0.2 0.711 109.3 50.9 -64.7 -25.9 -0.4 27.9 14.0 137 137 A T T >X S+ 0 0 4 -4,-0.8 4,-1.2 -3,-0.5 3,-0.8 -0.334 75.2 133.9 -99.0 46.7 3.2 26.7 14.4 138 138 A A T <4 + 0 0 25 -3,-1.1 -1,-0.1 -54,-0.3 -2,-0.1 0.863 53.5 69.7 -65.4 -41.2 3.6 26.1 10.6 139 139 A K T 34 S+ 0 0 96 -55,-0.6 -1,-0.2 -3,-0.2 -2,-0.1 0.660 106.2 37.5 -59.8 -24.2 7.0 27.7 10.1 140 140 A Y T <4 0 0 13 -3,-0.8 -1,-0.2 326,-0.1 -2,-0.2 0.909 360.0 360.0 -87.9 -57.2 8.9 25.1 12.0 141 141 A R < 0 0 106 -4,-1.2 -3,-0.1 -7,-0.2 275,-0.1 0.307 360.0 360.0-130.6 360.0 6.9 21.9 10.8 142 !* 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 0 104 0, 0.0 2,-0.4 0, 0.0 434,-0.1 0.000 360.0 360.0 360.0 148.9 9.8 24.6 46.4 144 2 B H + 0 0 154 77,-0.0 2,-0.3 0, 0.0 77,-0.0 -0.759 360.0 173.3 -99.9 139.3 7.9 27.6 47.8 145 3 B W - 0 0 17 -2,-0.4 2,-0.2 76,-0.0 126,-0.0 -0.869 16.0-144.7-129.8 168.5 4.2 27.5 49.0 146 4 B S > - 0 0 46 -2,-0.3 4,-1.0 1,-0.0 5,-0.0 -0.622 28.3-106.9-127.1-176.9 2.2 30.1 50.7 147 5 B A T 4 S+ 0 0 78 -2,-0.2 4,-0.4 2,-0.2 -1,-0.0 0.649 121.2 47.4 -84.7 -20.6 -0.5 30.7 53.3 148 6 B E T > S+ 0 0 147 2,-0.2 4,-1.7 3,-0.1 -1,-0.1 0.683 112.7 47.5 -86.9 -27.7 -3.1 31.5 50.6 149 7 B E H > S+ 0 0 41 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.764 106.0 60.0 -85.3 -29.3 -2.1 28.5 48.4 150 8 B K H X S+ 0 0 77 -4,-1.0 4,-2.3 2,-0.2 5,-0.3 0.844 108.9 44.4 -59.8 -36.1 -2.4 26.4 51.5 151 9 B Q H > S+ 0 0 141 -4,-0.4 4,-2.3 2,-0.2 5,-0.4 0.926 110.6 49.8 -76.3 -49.5 -6.1 27.4 51.7 152 10 B L H X S+ 0 0 49 -4,-1.7 4,-1.2 3,-0.2 -2,-0.2 0.890 122.6 38.1 -54.3 -37.9 -7.1 27.1 48.1 153 11 B I H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.981 121.8 36.8 -79.5 -63.0 -5.5 23.6 48.3 154 12 B T H X S+ 0 0 73 -4,-2.3 4,-1.3 1,-0.2 -3,-0.2 0.802 119.6 54.2 -57.6 -34.3 -6.4 22.2 51.8 155 13 B G H < S+ 0 0 32 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.933 114.0 37.0 -64.8 -52.1 -9.8 23.9 51.5 156 14 B L H >X S+ 0 0 8 -4,-1.2 3,-1.6 -5,-0.4 4,-0.8 0.791 106.6 66.6 -79.3 -27.4 -10.8 22.4 48.2 157 15 B W H >< S+ 0 0 40 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.962 95.6 57.6 -53.2 -54.4 -9.2 18.9 49.0 158 16 B G T 3< S+ 0 0 67 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.323 107.5 48.9 -61.8 6.3 -11.8 18.3 51.8 159 17 B K T <4 S+ 0 0 115 -3,-1.6 2,-0.5 2,-0.0 -1,-0.3 0.480 82.5 115.0-118.0 -8.2 -14.6 18.8 49.2 160 18 B V << - 0 0 19 -3,-1.9 2,-2.3 -4,-0.8 3,-0.2 -0.484 61.0-145.3 -65.0 112.3 -13.2 16.4 46.5 161 19 B N > - 0 0 81 -2,-0.5 4,-1.7 1,-0.2 3,-0.3 -0.649 25.2-175.6 -65.7 78.3 -15.4 13.4 45.9 162 20 B V H > + 0 0 23 -2,-2.3 4,-2.7 1,-0.2 5,-0.4 0.877 69.9 67.2 -46.5 -46.1 -12.2 11.5 45.2 163 21 B A H > S+ 0 0 54 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.864 109.6 30.2 -41.8 -62.0 -14.2 8.4 44.3 164 22 B E H > S+ 0 0 105 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.814 120.4 49.5 -72.9 -41.1 -15.8 9.8 41.1 165 23 B C H X S+ 0 0 2 -4,-1.7 4,-2.9 2,-0.3 5,-0.2 0.797 110.7 50.7 -78.0 -31.2 -13.1 12.2 39.9 166 24 B G H X S+ 0 0 1 -4,-2.7 4,-1.0 -5,-0.2 -1,-0.2 0.743 116.4 42.7 -72.6 -30.7 -10.3 9.6 40.3 167 25 B A H X S+ 0 0 9 -4,-0.8 4,-2.4 -5,-0.4 -2,-0.3 0.866 115.3 51.6 -75.5 -39.4 -12.5 7.4 38.3 168 26 B E H X S+ 0 0 50 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.946 114.1 39.9 -61.6 -50.8 -13.3 10.3 36.0 169 27 B A H X S+ 0 0 2 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.838 116.9 47.1 -74.4 -38.2 -9.7 11.3 35.3 170 28 B L H X S+ 0 0 2 -4,-1.0 4,-2.4 2,-0.2 5,-0.2 0.957 113.3 51.7 -66.3 -46.8 -8.2 7.8 34.9 171 29 B A H X S+ 0 0 1 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.870 114.3 44.0 -48.1 -40.9 -11.2 7.1 32.7 172 30 B R H >X S+ 0 0 8 -4,-1.8 4,-5.1 2,-0.2 3,-0.8 0.979 107.9 54.4 -73.3 -59.9 -10.3 10.2 30.6 173 31 B L H 3X S+ 0 0 9 -4,-2.8 4,-2.0 1,-0.3 7,-0.3 0.897 113.8 46.2 -30.4 -60.1 -6.5 9.6 30.5 174 32 B L H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.755 122.6 35.0 -57.0 -34.8 -7.6 6.1 29.0 175 33 B I H << S+ 0 0 16 -4,-1.4 -2,-0.2 -3,-0.8 -1,-0.2 0.716 121.6 47.5 -84.9 -28.2 -10.1 7.8 26.7 176 34 B V H < S+ 0 0 6 -4,-5.1 -3,-0.2 1,-0.3 -2,-0.2 0.980 123.4 23.3 -85.6 -62.5 -8.0 11.0 25.9 177 35 B Y S >< S- 0 0 33 -4,-2.0 3,-2.0 -5,-0.3 -1,-0.3 -0.917 73.9-165.5-104.8 99.7 -4.5 9.8 25.1 178 36 B P G > S+ 0 0 18 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.746 83.7 69.7 -64.5 -26.8 -5.2 6.2 24.0 179 37 B W G > S+ 0 0 37 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.841 83.4 72.0 -47.6 -35.2 -1.5 5.4 24.4 180 38 B T G < S+ 0 0 1 -3,-2.0 -1,-0.3 -7,-0.3 3,-0.2 0.571 84.4 72.4 -66.3 -4.2 -2.1 5.7 28.0 181 39 B Q G X S+ 0 0 27 -3,-1.9 3,-1.9 1,-0.2 -1,-0.3 0.821 77.3 72.1 -83.9 -33.9 -4.0 2.3 27.8 182 40 B R G X S+ 0 0 68 -3,-1.3 3,-1.0 -4,-0.3 -1,-0.2 0.824 94.8 54.3 -47.4 -39.1 -1.0 0.0 27.2 183 41 B F G 3 S+ 0 0 49 -4,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.627 107.5 51.9 -74.9 -14.1 0.1 0.5 30.9 184 42 B F G X + 0 0 38 -3,-1.9 3,-1.1 1,-0.2 4,-0.3 -0.197 66.8 124.5-119.2 35.5 -3.3 -0.6 32.1 185 43 B A G X + 0 0 80 -3,-1.0 3,-0.9 1,-0.2 -1,-0.2 0.810 65.6 67.0 -62.8 -31.7 -3.6 -3.8 30.1 186 44 B S G 3 S+ 0 0 109 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.541 86.6 70.5 -73.9 -8.1 -4.2 -5.8 33.3 187 45 B F G < S- 0 0 39 -3,-1.1 2,-0.4 1,-0.2 -1,-0.2 0.713 93.9-131.6 -86.4 -26.2 -7.6 -4.2 34.0 188 46 B G < + 0 0 52 -3,-0.9 2,-0.6 -4,-0.3 -1,-0.2 -0.926 67.1 34.5 117.5-138.2 -9.7 -5.8 31.2 189 47 B N + 0 0 84 -2,-0.4 2,-0.3 6,-0.1 10,-0.3 -0.486 50.9 148.2 -63.3 108.4 -12.0 -4.1 28.7 190 48 B L + 0 0 18 -2,-0.6 -2,-0.1 -5,-0.1 -6,-0.0 -0.882 38.6 105.2-139.0 98.1 -10.9 -0.7 27.6 191 49 B S + 0 0 87 1,-0.6 -1,-0.0 -2,-0.3 -2,-0.0 0.462 67.7 48.0-146.3 -52.3 -12.2 -0.6 24.0 192 50 B S S >> S- 0 0 52 1,-0.1 4,-1.8 -3,-0.0 3,-0.9 -0.885 83.1-123.7-109.7 135.9 -15.2 1.7 23.7 193 51 B P T 34 S+ 0 0 50 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.803 110.9 48.0 -52.5 -31.0 -14.9 5.1 25.3 194 52 B T T >> S+ 0 0 98 2,-0.2 4,-1.0 1,-0.2 3,-0.6 0.747 105.6 57.2 -84.1 -26.9 -18.0 4.5 27.5 195 53 B A H X> S+ 0 0 25 -3,-0.9 4,-2.0 1,-0.2 3,-1.2 0.960 89.9 74.7 -65.6 -51.5 -17.0 1.0 28.6 196 54 B I H 3< S+ 0 0 2 -4,-1.8 -1,-0.2 1,-0.3 6,-0.2 0.694 103.7 39.0 -29.1 -36.9 -13.7 2.5 30.1 197 55 B L H <4 S+ 0 0 46 -3,-0.6 -1,-0.3 -4,-0.3 6,-0.2 0.813 109.6 59.6 -91.5 -34.6 -15.8 3.9 32.9 198 56 B G H << S+ 0 0 54 -3,-1.2 -2,-0.2 -4,-1.0 -3,-0.1 0.894 86.6 83.1 -57.8 -49.1 -18.1 0.9 33.3 199 57 B N S X S- 0 0 28 -4,-2.0 4,-0.8 -10,-0.3 3,-0.2 -0.452 76.7-153.3 -51.8 126.8 -15.1 -1.3 34.1 200 58 B P T 4 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.086 77.4 80.8-108.4 20.2 -14.7 -0.6 37.8 201 59 B M T >> S+ 0 0 84 2,-0.2 4,-5.2 3,-0.2 3,-0.7 0.805 102.8 40.2 -83.8 -42.5 -11.0 -1.2 38.3 202 60 B V H 3> S+ 0 0 1 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.939 111.1 57.1 -63.8 -48.9 -10.3 2.2 36.9 203 61 B R H 3< S+ 0 0 162 -4,-0.8 -1,-0.2 -6,-0.2 -36,-0.2 0.425 122.2 30.3 -58.3 -1.7 -13.4 3.3 39.0 204 62 B A H X> S+ 0 0 45 -3,-0.7 4,-1.2 -38,-0.1 3,-0.6 0.614 121.1 45.2-120.3 -58.9 -11.3 1.9 41.8 205 63 B H H 3X S+ 0 0 49 -4,-5.2 4,-0.7 1,-0.2 -3,-0.2 0.748 106.6 67.1 -56.9 -25.9 -7.6 2.3 40.9 206 64 B G H >X S+ 0 0 0 -4,-3.3 3,-1.4 -5,-0.3 4,-1.4 0.942 96.9 51.4 -58.3 -50.5 -8.7 5.9 39.9 207 65 B K H <> S+ 0 0 100 -3,-0.6 4,-3.6 -5,-0.3 5,-0.5 0.875 100.1 62.6 -55.9 -42.7 -9.4 6.8 43.5 208 66 B K H 3X S+ 0 0 133 -4,-1.2 4,-1.3 1,-0.2 -1,-0.3 0.746 102.3 54.0 -57.9 -25.8 -6.0 5.6 44.5 209 67 B V H X S+ 0 0 42 -4,-3.6 3,-1.4 2,-0.2 4,-1.1 0.919 106.2 61.0 -49.4 -49.4 -6.3 9.6 47.4 212 70 B S H >X S+ 0 0 25 -4,-1.3 3,-1.6 -5,-0.5 4,-0.5 0.937 100.0 52.0 -34.4 -77.6 -2.6 9.3 46.4 213 71 B F H 3X S+ 0 0 19 -4,-2.3 4,-1.4 1,-0.3 3,-0.5 0.655 96.8 73.3 -36.5 -24.9 -2.6 13.2 46.1 214 72 B G H < S+ 0 0 0 -4,-0.5 3,-4.4 -3,-0.5 -1,-0.2 0.995 96.9 60.1 -74.1 -71.6 0.8 15.2 49.6 217 75 B V H >< S+ 0 0 18 -4,-1.4 3,-0.5 1,-0.3 -1,-0.2 0.643 97.3 64.2 -22.6 -35.3 -1.6 17.8 51.0 218 76 B K T 3< S+ 0 0 143 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.817 122.4 17.0 -64.6 -30.7 -0.6 16.6 54.6 219 77 B N T X + 0 0 88 -3,-4.4 3,-1.5 -4,-0.4 -1,-0.3 -0.584 55.3 168.4-149.1 79.7 2.8 17.9 53.8 220 78 B L T < S+ 0 0 5 -3,-0.5 3,-0.4 1,-0.3 -3,-0.1 0.731 86.7 65.0 -55.9 -16.4 3.4 20.3 50.9 221 79 B D T 3 S+ 0 0 102 1,-0.2 -1,-0.3 -5,-0.1 -5,-0.0 0.015 107.1 29.9-106.4 27.9 6.8 20.5 52.7 222 80 B N S X> S+ 0 0 64 -3,-1.5 4,-1.5 -6,-0.1 3,-0.5 0.104 70.2 129.4-160.2 32.8 8.2 17.0 52.3 223 81 B I H 3> S+ 0 0 7 -3,-0.4 4,-2.5 1,-0.2 5,-0.4 0.902 71.4 65.9 -54.3 -49.8 6.6 15.8 48.9 224 82 B K H 3> S+ 0 0 106 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.881 109.0 35.5 -19.8 -68.7 10.2 14.8 47.9 225 83 B N H <> S+ 0 0 99 -3,-0.5 4,-0.5 1,-0.2 -1,-0.2 0.672 116.0 60.7 -77.2 -19.7 10.3 12.2 50.6 226 84 B T H < S+ 0 0 40 -4,-1.5 3,-0.5 -3,-0.3 4,-0.5 0.987 112.5 28.4 -70.3 -65.7 6.6 11.4 50.1 227 85 B F H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.534 99.5 94.5 -79.1 -1.9 6.3 10.2 46.5 228 86 B S H X S+ 0 0 39 -4,-0.6 4,-1.1 -5,-0.4 -1,-0.2 0.907 87.8 41.4 -59.3 -55.5 9.9 9.0 46.6 229 87 B Q H < S+ 0 0 145 -4,-0.5 4,-0.3 -3,-0.5 -1,-0.3 0.816 119.4 49.9 -54.2 -32.1 9.0 5.4 47.5 230 88 B L H >4 S+ 0 0 41 -4,-0.5 3,-0.7 1,-0.2 4,-0.4 0.789 101.8 60.5 -78.4 -31.8 6.2 5.9 45.0 231 89 B S H 3X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.3 3,-0.3 0.712 98.8 57.4 -69.0 -27.2 8.6 7.2 42.4 232 90 B E H 3X>S+ 0 0 107 -4,-1.1 5,-1.1 -5,-0.2 4,-0.9 0.741 102.8 58.6 -67.3 -23.0 10.5 3.9 42.5 233 91 B L H <4>S+ 0 0 75 -3,-0.7 5,-0.9 -4,-0.3 -2,-0.2 0.632 111.1 35.0 -88.5 -15.2 7.1 2.3 41.5 234 92 B H H 45S+ 0 0 64 -4,-0.4 6,-2.4 -3,-0.3 -1,-0.2 0.653 124.1 40.9-112.0 -24.6 6.5 4.1 38.3 235 93 B C H <5S+ 0 0 4 -4,-1.1 4,-0.4 4,-0.3 -3,-0.2 0.928 121.9 27.1 -93.3 -58.7 10.1 4.3 37.1 236 94 B D T ><5S+ 0 0 91 -4,-0.9 3,-0.6 -5,-0.3 -3,-0.2 0.997 130.6 30.6 -68.7 -67.6 12.0 1.0 37.8 237 95 B K T 3 - 0 0 43 -2,-0.5 3,-1.4 1,-0.1 4,-0.2 -0.527 20.3-136.7 -68.0 126.3 7.4 8.3 30.8 242 100 B P T >> S+ 0 0 43 0, 0.0 3,-2.5 0, 0.0 4,-0.7 0.659 95.7 78.6 -68.2 -15.2 6.9 11.4 33.1 243 101 B E H >> S+ 0 0 69 1,-0.3 3,-2.0 2,-0.2 4,-1.0 0.944 91.8 57.1 -60.1 -39.8 5.2 13.4 30.4 244 102 B N H <> S+ 0 0 15 -3,-1.4 4,-0.7 1,-0.3 -1,-0.3 0.660 93.6 65.3 -52.6 -21.4 2.3 11.2 31.4 245 103 B F H <> S+ 0 0 21 -3,-2.5 4,-0.5 1,-0.2 -1,-0.3 0.613 106.6 45.2 -77.6 -9.7 2.8 12.6 34.9 246 104 B R H S+ 0 0 0 -5,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.935 112.0 51.6 -75.9 -42.2 -6.4 15.7 33.1 252 110 B L H X S+ 0 0 0 -4,-6.5 4,-0.7 2,-0.2 -2,-0.2 0.569 107.2 51.5 -74.1 -12.0 -7.0 15.8 36.9 253 111 B I H X S+ 0 0 0 -4,-0.6 4,-1.6 -5,-0.3 -1,-0.2 0.860 108.2 53.5 -83.5 -41.4 -7.3 19.6 37.0 254 112 B I H X S+ 0 0 4 -4,-1.3 4,-0.8 1,-0.2 -2,-0.2 0.813 105.9 54.2 -53.3 -38.2 -9.8 19.4 34.2 255 113 B V H >< S+ 0 0 0 -4,-1.7 3,-0.6 1,-0.2 4,-0.3 0.882 108.4 46.2 -69.8 -35.6 -11.8 17.0 36.3 256 114 B L H >< S+ 0 0 0 -4,-0.7 3,-1.5 -3,-0.2 4,-0.4 0.877 105.1 66.7 -66.8 -29.8 -11.9 19.3 39.3 257 115 B A H 3< S+ 0 0 0 -4,-1.6 4,-0.2 1,-0.3 -1,-0.2 0.705 102.7 42.8 -63.8 -30.9 -12.9 22.0 36.7 258 116 B A T << S+ 0 0 17 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.311 114.7 49.6-100.6 1.2 -16.2 20.3 35.9 259 117 B H S < S+ 0 0 79 -3,-1.5 -2,-0.2 -4,-0.3 -1,-0.2 0.229 115.7 38.2-123.8 9.5 -17.1 19.5 39.6 260 118 B F S > S- 0 0 20 -4,-0.4 3,-1.7 -3,-0.2 -2,-0.1 0.322 78.7-172.6-138.4 9.2 -16.5 23.0 41.1 261 119 B T G > S- 0 0 75 1,-0.3 3,-1.3 2,-0.2 -149,-0.1 0.213 77.8 -14.5 29.0-148.6 -17.8 25.5 38.5 262 120 B K G 3 S+ 0 0 150 1,-0.3 -1,-0.3 -151,-0.3 -150,-0.0 0.568 125.5 85.1 -51.5 -7.7 -17.0 29.1 39.4 263 121 B D G < S+ 0 0 93 -3,-1.7 2,-0.4 1,-0.2 -1,-0.3 0.276 77.4 78.4 -72.4 13.0 -16.3 27.5 42.8 264 122 B F S < S- 0 0 1 -3,-1.3 -1,-0.2 -7,-0.1 -4,-0.1 -0.863 84.0-144.7-130.1 90.0 -12.9 26.9 41.1 265 123 B T >> - 0 0 50 -2,-0.4 4,-1.1 1,-0.1 3,-0.9 -0.112 17.8-128.7 -67.2 144.1 -10.9 30.2 41.3 266 124 B P H 3> S+ 0 0 43 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.974 119.6 48.4 -48.2 -47.5 -8.6 31.3 38.5 267 125 B E H 3> S+ 0 0 119 2,-0.2 4,-0.8 3,-0.1 -115,-0.1 0.621 110.8 56.5 -66.6 -13.9 -6.1 31.7 41.4 268 126 B C H X> S+ 0 0 4 -3,-0.9 3,-1.8 2,-0.2 4,-1.8 0.960 97.2 52.8 -80.2 -85.6 -7.1 28.2 42.6 269 127 B Q H 3X S+ 0 0 0 -4,-1.1 4,-1.7 1,-0.3 -2,-0.2 0.706 106.8 61.8 -3.6 -49.6 -6.4 26.0 39.5 270 128 B A H 3X S+ 0 0 15 -4,-1.1 4,-2.5 -5,-0.3 3,-0.3 0.939 103.0 45.7 -61.9 -51.5 -2.9 27.6 39.8 271 129 B A H X S+ 0 0 0 -4,-1.9 4,-3.3 2,-0.2 3,-0.5 0.992 115.7 37.7 -68.3 -66.0 0.6 20.9 43.2 276 134 B V H 3X S+ 0 0 5 -4,-1.8 4,-0.8 1,-0.3 -2,-0.2 0.448 117.5 55.5 -70.7 0.7 0.3 18.3 40.4 277 135 B R H 3X S+ 0 0 62 -4,-2.1 4,-1.7 2,-0.2 -1,-0.3 0.781 110.2 43.0 -90.0 -40.0 3.4 19.9 38.9 278 136 B V H X S+ 0 0 5 -4,-3.3 4,-1.9 2,-0.2 3,-1.5 0.971 106.4 58.8 -53.4 -61.9 3.8 15.8 42.3 280 138 B A H 3< S+ 0 0 12 -4,-0.8 4,-0.2 1,-0.3 -2,-0.2 0.862 114.5 35.8 -39.4 -55.5 4.5 15.2 38.6 281 139 B H H 3< S+ 0 0 108 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.450 107.6 64.5 -85.3 -8.6 8.3 15.7 39.1 282 140 B A H X< S+ 0 0 6 -3,-1.5 3,-2.3 -4,-0.8 4,-0.3 0.943 102.7 50.6 -67.8 -54.1 8.5 14.1 42.6 283 141 B L T 3< S+ 0 0 17 -4,-1.9 3,-0.3 1,-0.3 -49,-0.2 0.640 107.9 57.1 -56.5 -16.3 7.5 10.7 41.0 284 142 B A T 3> S+ 0 0 8 -5,-0.3 4,-0.6 -4,-0.2 3,-0.4 -0.027 75.5 99.4-110.3 31.2 10.3 11.5 38.6 285 143 B R T <4 S+ 0 0 153 -3,-2.3 2,-1.3 1,-0.2 -1,-0.2 0.868 70.7 65.9 -72.5 -41.6 13.0 11.8 41.2 286 144 B K T 4 S+ 0 0 107 -4,-0.3 -1,-0.2 -3,-0.3 -3,-0.1 -0.052 100.7 57.1 -81.4 40.2 14.3 8.2 40.6 287 145 B Y T 4 0 0 89 -2,-1.3 -2,-0.1 1,-0.4 -1,-0.1 0.392 360.0 360.0-125.4 -91.3 15.4 9.3 37.2 288 146 B H < 0 0 88 -4,-0.6 -1,-0.4 144,-0.1 279,-0.0 -0.907 360.0 360.0-116.3 360.0 17.8 12.3 36.9 289 !* 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 0.0 290 1 C V 0 0 134 0, 0.0 2,-0.3 0, 0.0 130,-0.1 0.000 360.0 360.0 360.0-140.5 2.7 20.2 7.1 291 2 C L - 0 0 27 72,-0.0 2,-0.2 125,-0.0 -150,-0.0 -0.963 360.0-155.9-147.0 127.5 5.5 19.8 4.4 292 3 C S > - 0 0 66 -2,-0.3 4,-2.9 1,-0.0 3,-0.3 -0.491 38.2 -78.9-110.9 174.3 5.9 22.3 1.5 293 4 C A T 4 S+ 0 0 82 1,-0.2 -1,-0.0 2,-0.2 0, 0.0 0.791 129.6 40.5 -35.8 -44.8 7.4 22.5 -2.0 294 5 C A T >> S+ 0 0 64 1,-0.2 3,-1.3 2,-0.2 4,-0.9 0.889 111.6 52.4 -79.5 -46.7 11.0 23.0 -0.6 295 6 C D H >> S+ 0 0 23 -3,-0.3 4,-2.1 1,-0.3 3,-0.8 0.892 99.5 70.2 -42.9 -48.8 10.8 20.4 2.3 296 7 C K H 3< S+ 0 0 70 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.291 106.6 36.2 -56.5 8.3 9.6 18.1 -0.6 297 8 C T H <4 S+ 0 0 95 -3,-1.3 4,-0.4 3,-0.1 -1,-0.2 0.498 110.4 53.7-138.6 -16.7 13.2 18.2 -1.9 298 9 C N H S+ 0 0 93 -5,-0.4 4,-1.5 1,-0.2 -1,-0.3 0.859 110.7 62.9 -52.5 -36.8 13.6 13.6 -1.1 301 12 C G H >> S+ 0 0 35 -4,-0.4 4,-1.1 1,-0.2 3,-0.6 0.968 105.4 37.5 -41.9 -71.9 17.2 14.8 -1.0 302 13 C I H 3X S+ 0 0 2 -4,-2.1 4,-1.1 1,-0.3 -2,-0.2 0.747 112.4 55.8 -65.4 -34.4 18.5 12.7 1.9 303 14 C F H 3< S+ 0 0 8 -4,-1.9 4,-0.4 2,-0.2 -1,-0.3 0.824 104.0 54.7 -75.7 -28.9 16.6 9.5 1.1 304 15 C A H << S+ 0 0 73 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.884 109.2 48.2 -60.8 -40.1 18.0 9.3 -2.4 305 16 C K H < S+ 0 0 98 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.663 122.7 36.9 -78.0 -21.7 21.4 9.5 -0.7 306 17 C I S < S+ 0 0 6 -4,-1.1 2,-3.4 -5,-0.2 -2,-0.2 0.659 85.1 100.1 -80.5-110.1 20.1 6.8 1.6 307 18 C A S S+ 0 0 60 -4,-0.4 -3,-0.1 1,-0.2 -2,-0.1 -0.024 83.0 49.6 61.9 -42.0 17.9 4.5 -0.7 308 19 C G S S+ 0 0 53 -2,-3.4 -1,-0.2 -4,-0.2 3,-0.1 0.524 110.6 46.0-107.8 -12.2 20.6 1.7 -1.2 309 20 C H S >> S+ 0 0 77 1,-0.1 4,-2.1 -3,-0.1 3,-1.3 0.069 70.5 133.9-122.4 21.3 21.6 1.1 2.3 310 21 C A H 3> S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.871 70.5 51.0 -24.7 -80.2 18.0 1.0 3.7 311 22 C E H 3> S+ 0 0 83 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.675 114.0 45.0 -34.2 -38.0 18.5 -2.3 5.8 312 23 C E H <> S+ 0 0 88 -3,-1.3 4,-3.9 2,-0.2 5,-0.4 0.962 110.3 49.6 -76.1 -58.9 21.7 -0.8 7.5 313 24 C Y H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.3 -2,-0.2 0.862 117.6 42.3 -56.3 -39.7 20.6 2.7 8.4 314 25 C G H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.3 0.947 116.0 46.5 -66.4 -51.8 17.5 1.3 10.0 315 26 C A H X S+ 0 0 10 -4,-1.3 4,-1.7 -5,-0.3 -2,-0.2 0.942 119.1 43.7 -58.2 -49.1 19.2 -1.6 11.7 316 27 C E H X S+ 0 0 52 -4,-3.9 4,-1.7 1,-0.2 -1,-0.3 0.824 109.1 55.8 -62.9 -37.2 21.8 0.8 12.9 317 28 C A H < S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.4 -2,-0.2 0.883 110.5 48.4 -63.5 -35.3 19.2 3.5 13.8 318 29 C L H >< S+ 0 0 1 -4,-2.2 3,-1.3 2,-0.2 -2,-0.2 0.831 103.3 56.8 -74.1 -39.6 17.6 1.0 16.0 319 30 C D H >X S+ 0 0 10 -4,-1.7 4,-2.7 1,-0.4 3,-1.9 0.986 111.7 44.1 -60.0 -56.1 20.7 -0.3 17.8 320 31 C R T 3< S+ 0 0 4 -4,-1.7 -1,-0.4 1,-0.3 5,-0.3 0.581 105.0 67.0 -48.1 -17.8 21.2 3.3 18.7 321 32 C M T <4 S+ 0 0 18 -3,-1.3 -1,-0.3 3,-0.1 -2,-0.2 0.155 114.6 28.5 -87.7 15.5 17.4 3.0 19.4 322 33 C F T <4 S+ 0 0 0 -3,-1.9 -2,-0.2 -5,-0.1 6,-0.2 0.590 114.7 49.6-141.2 -58.2 18.4 0.6 22.2 323 34 C T S < S+ 0 0 51 -4,-2.7 -3,-0.2 1,-0.2 236,-0.1 0.440 121.0 40.3 -78.9 3.2 21.8 1.2 23.7 324 35 C T S S+ 0 0 15 -5,-0.3 -1,-0.2 -4,-0.2 239,-0.2 0.679 129.5 25.1-115.8 -42.4 20.9 4.9 24.1 325 36 C Y > + 0 0 16 -5,-0.3 3,-2.2 1,-0.1 4,-0.3 -0.459 68.9 169.3-119.0 62.8 17.3 4.7 25.2 326 37 C P G > S+ 0 0 64 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.591 71.3 72.1 -53.5 -15.7 17.0 1.1 26.8 327 38 C Q G 3 S+ 0 0 96 1,-0.3 -5,-0.1 2,-0.2 -2,-0.0 0.307 88.3 65.6 -83.1 6.8 13.5 1.9 28.2 328 39 C T G X S+ 0 0 3 -3,-2.2 3,-1.4 -6,-0.2 -1,-0.3 0.686 82.4 79.1 -86.6 -28.4 12.5 1.7 24.6 329 40 C K G X + 0 0 89 -3,-0.9 3,-5.3 -4,-0.3 -2,-0.2 0.809 68.4 82.0 -45.1 -44.6 13.4 -2.1 24.7 330 41 C T G 3 S+ 0 0 50 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.540 86.7 57.4 -52.2 -11.5 10.1 -3.2 26.5 331 42 C Y G < S+ 0 0 36 -3,-1.4 -1,-0.3 1,-0.2 3,-0.2 0.584 110.8 48.0 -87.2 -13.2 8.3 -3.2 23.2 332 43 C F X + 0 0 36 -3,-5.3 3,-0.5 -4,-0.2 -1,-0.2 -0.375 62.5 121.7-122.5 52.6 11.0 -5.7 22.0 333 44 C P T 3 S+ 0 0 106 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.751 79.8 59.5 -79.0 -22.0 11.2 -8.3 24.8 334 45 C H T 3 S+ 0 0 134 -3,-0.2 2,-0.3 -4,-0.1 -4,-0.0 -0.259 103.1 71.3 -87.9 43.2 10.4 -10.8 22.0 335 46 C F S < S- 0 0 42 -3,-0.5 2,-0.8 -2,-0.3 -3,-0.1 -0.987 85.7-107.7-167.6 144.3 13.5 -9.7 20.1 336 47 C D + 0 0 71 -2,-0.3 8,-0.3 1,-0.2 5,-0.3 -0.686 35.8 179.6 -84.2 105.6 17.3 -9.9 20.0 337 48 C V + 0 0 28 -2,-0.8 2,-0.2 -5,-0.1 -1,-0.2 0.436 38.1 113.1 -96.3 -2.8 18.3 -6.4 20.9 338 49 C S S > S- 0 0 65 1,-0.2 3,-0.9 -16,-0.1 6,-0.2 -0.458 84.5 -68.2 -77.8 143.0 22.1 -6.8 20.8 339 50 C H T 3 S- 0 0 141 1,-0.2 -1,-0.2 -2,-0.2 -2,-0.1 0.055 109.0 -14.5 -36.2 96.7 24.3 -5.1 18.2 340 51 C G T 3 S+ 0 0 28 1,-0.2 2,-0.2 -25,-0.1 -1,-0.2 0.895 78.2 157.4 82.4 47.3 23.7 -6.6 14.8 341 52 C S X> - 0 0 18 -3,-0.9 4,-1.9 -5,-0.3 3,-0.9 -0.657 60.6 -99.8 -94.6 163.6 21.7 -9.8 15.1 342 53 C A H 3> S+ 0 0 84 1,-0.3 4,-1.5 -2,-0.2 5,-0.1 0.496 120.6 62.8 -59.5 -7.9 19.7 -11.1 12.2 343 54 C Q H 3> S+ 0 0 76 2,-0.2 4,-1.7 -7,-0.2 5,-0.3 0.899 103.0 39.7 -88.6 -48.7 16.8 -9.6 14.0 344 55 C I H <> S+ 0 0 0 -3,-0.9 4,-0.5 -8,-0.3 -2,-0.2 0.765 116.9 55.5 -74.9 -24.5 17.6 -5.8 14.1 345 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0 0 109 -3,-0.3 -1,-0.3 -4,-0.3 -4,-0.1 -0.179 84.6 78.1 -81.1 40.1 20.0 40.6 19.9 476 45 D F G < S- 0 0 45 -3,-0.7 2,-0.6 -2,-0.5 -1,-0.2 0.352 92.1-142.9-120.2 -7.3 22.3 38.6 17.6 477 46 D G < + 0 0 55 -3,-1.3 2,-0.8 -4,-0.1 -1,-0.2 -0.761 65.8 44.7 102.0-116.1 21.2 40.5 14.5 478 47 D N + 0 0 98 -2,-0.6 10,-0.1 1,-0.1 3,-0.1 -0.704 53.3 145.9 -82.5 106.7 20.7 39.1 11.0 479 48 D L + 0 0 22 -2,-0.8 -1,-0.1 1,-0.1 6,-0.1 -0.415 30.8 117.4-136.9 44.9 18.8 35.8 11.5 480 49 D S S S+ 0 0 97 1,-0.2 -1,-0.1 2,-0.0 -2,-0.0 0.655 75.6 18.9 -89.5 -19.0 16.8 36.1 8.3 481 50 D S S >> S- 0 0 41 -3,-0.1 4,-2.4 1,-0.1 3,-0.9 -0.995 77.9-106.0-159.7 144.9 18.1 32.9 6.5 482 51 D P H 3> S+ 0 0 40 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.769 122.3 46.3 -41.9 -35.4 19.9 29.6 7.1 483 52 D T H 3> S+ 0 0 115 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.837 111.1 48.8 -84.1 -34.8 23.1 31.1 5.6 484 53 D A H <> S+ 0 0 22 -3,-0.9 4,-0.6 1,-0.2 -1,-0.2 0.763 112.9 53.4 -70.2 -25.6 22.9 34.4 7.5 485 54 D I H >< S+ 0 0 4 -4,-2.4 3,-0.6 2,-0.2 -2,-0.2 0.927 106.6 47.2 -73.7 -50.6 22.4 32.2 10.6 486 55 D L H 3< S+ 0 0 42 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.905 120.9 39.5 -61.0 -40.4 25.5 29.9 10.2 487 56 D G H 3< S+ 0 0 46 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.481 76.2 122.1 -91.3 -5.2 27.7 32.9 9.5 488 57 D N XX - 0 0 17 -4,-0.6 3,-3.0 -3,-0.6 4,-1.2 -0.404 60.9-146.0 -55.9 101.5 26.2 35.4 12.0 489 58 D P H >> S+ 0 0 100 0, 0.0 3,-2.2 0, 0.0 4,-1.5 0.868 95.5 52.1 -45.8 -63.1 29.5 35.8 13.8 490 59 D M H 34 S+ 0 0 107 1,-0.3 -2,-0.1 2,-0.3 -13,-0.1 0.583 100.7 64.4 -38.5 -26.6 27.9 36.2 17.2 491 60 D V H <> S+ 0 0 0 -3,-3.0 4,-2.7 2,-0.2 3,-0.5 0.934 111.4 35.6 -59.5 -47.7 26.0 32.9 16.6 492 61 D R H > S+ 0 0 56 -3,-0.5 3,-1.3 -5,-0.4 4,-0.7 0.811 109.4 52.4 -99.5 -47.8 27.7 32.0 21.2 495 64 D G H >X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.3 3,-0.5 0.791 106.1 61.8 -54.8 -25.7 28.0 28.3 20.2 496 65 D K H 3X S+ 0 0 117 -4,-0.7 4,-0.9 1,-0.2 -1,-0.3 0.835 104.8 43.6 -72.0 -32.6 31.6 28.7 21.4 497 66 D K H <4 S+ 0 0 148 -3,-1.3 4,-0.3 2,-0.2 -1,-0.2 0.436 112.2 54.6 -94.5 -6.5 30.6 29.6 24.9 498 67 D V H > S+ 0 0 36 -4,-0.3 3,-3.5 1,-0.2 4,-0.9 0.991 98.9 54.3 -53.7 -77.2 30.5 25.2 29.2 502 71 D F H 3X S+ 0 0 19 -4,-1.3 4,-2.7 1,-0.3 -1,-0.2 0.673 100.8 65.3 -17.1 -40.1 29.8 21.5 29.0 503 72 D G H 3X S+ 0 0 5 -4,-0.7 4,-1.3 -3,-0.3 -1,-0.3 0.846 92.9 55.9 -65.2 -39.1 33.5 21.1 29.3 504 73 D D H 4 S+ 0 0 13 -2,-0.9 3,-1.0 -3,-0.2 -1,-0.2 0.973 79.4 33.0 -74.7 -63.4 30.6 14.4 36.6 510 79 D D T 34 S+ 0 0 124 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.491 125.8 50.9 -72.4 3.5 29.5 13.7 40.1 511 80 D N T >> + 0 0 75 -6,-0.2 4,-1.5 1,-0.1 3,-1.2 0.443 62.3 119.6-129.4 1.4 29.2 17.4 40.6 512 81 D I H S+ 0 0 107 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.893 108.3 37.6 -53.1 -49.7 24.4 20.4 40.1 514 83 D N H <4 S+ 0 0 113 -3,-1.2 4,-0.4 1,-0.2 -1,-0.2 0.860 113.4 60.3 -73.7 -35.5 26.7 22.9 41.8 515 84 D T H < S+ 0 0 48 -4,-1.5 4,-0.3 1,-0.2 -2,-0.2 0.806 113.0 33.9 -56.0 -43.2 28.5 23.6 38.5 516 85 D F H X S+ 0 0 9 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.551 86.0 116.1 -99.4 -8.7 25.5 24.9 36.7 517 86 D S H >X S+ 0 0 43 -4,-0.8 4,-1.5 -5,-0.3 3,-1.3 0.784 85.7 31.5 -22.7 -75.7 24.0 26.4 39.8 518 87 D Q H 3> S+ 0 0 146 -4,-0.4 4,-1.1 1,-0.3 3,-0.5 0.900 116.4 57.6 -63.0 -38.1 24.2 29.9 38.6 519 88 D L H 3> S+ 0 0 56 1,-0.3 4,-1.3 -4,-0.3 -1,-0.3 0.624 104.1 54.0 -68.8 -19.0 23.7 29.0 34.9 520 89 D S H S+ 0 0 68 -4,-1.5 5,-1.8 -3,-0.5 -2,-0.2 0.732 107.5 55.8 -67.2 -20.5 19.3 30.6 37.5 522 91 D L H <>S+ 0 0 65 -4,-1.1 5,-1.3 -5,-0.2 6,-0.5 0.967 116.7 30.6 -73.9 -54.2 20.1 32.3 34.2 523 92 D H H <>S+ 0 0 45 -4,-1.3 6,-2.1 4,-0.2 5,-1.4 0.891 128.3 40.0 -72.2 -43.0 17.9 30.1 32.0 524 93 D C T <5S+ 0 0 1 -4,-3.0 -3,-0.2 4,-0.2 4,-0.1 0.994 128.7 20.4 -70.5 -77.9 15.2 29.4 34.5 525 94 D D T 5S+ 0 0 97 -5,-0.4 -3,-0.2 2,-0.1 -2,-0.1 0.901 134.9 29.7 -67.4 -45.1 14.6 32.6 36.4 526 95 D K T - 0 0 42 -2,-0.4 3,-3.8 1,-0.2 4,-0.4 -0.433 23.9-127.2 -61.1 118.8 11.2 26.3 28.4 531 100 D P T >> S+ 0 0 51 0, 0.0 4,-1.2 0, 0.0 3,-1.1 0.683 104.1 79.2 -48.0 -21.9 13.1 23.2 29.5 532 101 D E H 3> S+ 0 0 75 1,-0.2 4,-1.5 2,-0.2 -2,-0.1 0.763 89.8 57.0 -55.6 -25.5 11.9 21.5 26.3 533 102 D N H <> S+ 0 0 7 -3,-3.8 4,-2.9 2,-0.2 5,-0.3 0.725 93.3 63.4 -79.1 -24.5 14.7 23.5 24.6 534 103 D F H <> S+ 0 0 18 -3,-1.1 4,-1.6 -4,-0.4 -2,-0.2 0.958 109.0 44.0 -61.5 -44.5 17.5 22.1 26.8 535 104 D R H X S+ 0 0 53 -4,-1.2 4,-4.1 2,-0.2 5,-0.3 0.924 112.6 51.7 -61.7 -48.0 16.6 18.8 25.3 536 105 D L H X S+ 0 0 13 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.942 115.1 39.9 -57.6 -50.4 16.4 20.3 21.8 537 106 D L H X S+ 0 0 41 -4,-2.9 4,-1.0 2,-0.2 -1,-0.2 0.712 117.3 55.8 -74.7 -21.7 19.8 22.0 21.9 538 107 D G H X S+ 0 0 2 -4,-1.6 4,-1.6 -5,-0.3 3,-0.3 0.973 107.5 43.6 -56.7 -70.1 20.8 18.7 23.7 539 108 D D H X S+ 0 0 8 -4,-4.1 4,-1.8 1,-0.2 -2,-0.2 0.708 112.4 55.0 -58.1 -23.8 19.6 16.3 20.8 540 109 D I H X S+ 0 0 1 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.895 102.9 54.9 -74.7 -41.7 21.2 18.6 18.2 541 110 D L H >X S+ 0 0 7 -4,-1.0 4,-1.8 -3,-0.3 3,-0.6 0.959 108.3 50.0 -48.3 -56.1 24.6 18.5 19.9 542 111 D I H >X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.3 3,-0.6 0.970 104.5 56.5 -45.5 -72.7 24.4 14.6 19.7 543 112 D I H 3X S+ 0 0 6 -4,-1.8 4,-1.0 1,-0.2 3,-0.3 0.788 107.8 52.5 -18.5 -50.0 23.5 14.9 16.0 544 113 D V H S+ 0 0 3 -4,-1.8 4,-2.1 -3,-0.6 5,-0.5 0.918 98.5 58.6 -64.2 -53.6 26.9 16.9 15.7 545 114 D L H << S+ 0 0 55 -4,-1.4 3,-2.4 1,-0.3 -1,-0.2 0.011 78.7 5.6 36.2-124.2 31.4 9.6 12.1 551 120 D K G 3 S+ 0 0 146 1,-0.3 -1,-0.3 -151,-0.2 -2,-0.1 0.733 120.3 73.6 -59.7 -23.2 32.5 6.0 13.1 552 121 D D G < S+ 0 0 110 -3,-2.4 2,-0.9 1,-0.2 -1,-0.3 0.611 84.7 80.6 -62.5 -7.1 34.5 7.4 16.0 553 122 D F S < S- 0 0 2 -3,-2.4 -1,-0.2 -4,-0.3 -153,-0.1 -0.717 74.2-170.1-104.4 81.0 30.9 7.8 17.4 554 123 D T > - 0 0 47 -2,-0.9 4,-3.0 1,-0.1 5,-0.2 -0.118 36.1-114.4 -67.1 159.5 30.0 4.3 18.7 555 124 D P H > S+ 0 0 22 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.982 123.9 47.3 -52.6 -49.2 26.6 3.2 19.8 556 125 D E H 4 S+ 0 0 92 1,-0.2 4,-0.4 2,-0.2 -115,-0.1 0.716 112.7 49.6 -69.1 -23.9 28.1 2.9 23.3 557 126 D C H >> S+ 0 0 2 2,-0.2 3,-3.1 1,-0.1 4,-1.1 0.972 102.2 60.4 -70.2 -63.7 29.7 6.3 22.9 558 127 D Q H >X S+ 0 0 0 -4,-3.0 4,-1.5 1,-0.3 3,-1.0 0.758 99.0 59.8 -28.8 -48.0 26.4 8.0 21.8 559 128 D A H 3X S+ 0 0 24 -4,-1.5 4,-1.4 1,-0.3 -1,-0.3 0.735 102.4 49.3 -67.5 -24.5 24.8 7.0 25.1 560 129 D A H <> S+ 0 0 2 -3,-3.1 4,-0.5 -4,-0.4 -1,-0.3 0.628 111.4 50.8 -84.0 -17.2 27.4 9.0 27.3 561 130 D W H X S+ 0 0 7 -4,-1.5 4,-1.9 -5,-0.3 3,-0.8 0.879 116.3 36.6 -72.8 -95.0 23.1 11.3 25.7 563 132 D K H 3X S+ 0 0 46 -4,-1.4 4,-2.5 1,-0.2 5,-0.2 0.730 116.1 60.1 -20.7 -43.1 22.9 10.9 29.5 564 133 D L H >X S+ 0 0 0 -4,-0.5 4,-1.8 -5,-0.3 3,-0.7 0.986 110.2 38.6 -53.3 -65.0 25.6 13.6 29.6 565 134 D V H X S+ 0 0 2 -4,-1.8 4,-2.2 1,-0.2 3,-0.7 0.914 111.1 50.5 -56.1 -47.9 23.2 19.0 32.1 569 138 D A H 3< S+ 0 0 12 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.796 105.1 58.6 -61.0 -32.3 19.7 19.7 31.0 570 139 D H H 3< S+ 0 0 79 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.745 108.8 42.7 -71.7 -28.8 18.4 18.5 34.4 571 140 D A H X< S+ 0 0 6 -4,-1.0 3,-3.3 -3,-0.7 4,-0.5 0.849 103.5 63.3 -85.6 -42.1 20.5 21.1 36.3 572 141 D L T 3< S+ 0 0 19 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.577 108.8 47.2 -49.3 -12.1 19.6 23.9 33.8 573 142 D A T >> S+ 0 0 25 -5,-0.2 3,-0.6 1,-0.1 4,-0.6 0.139 83.8 99.0-118.5 17.5 16.2 23.0 35.3 574 143 D R T <4 S+ 0 0 151 -3,-3.3 2,-0.2 1,-0.2 -2,-0.1 0.822 75.2 57.7 -74.0 -37.5 17.2 23.0 39.0 575 144 D K T 34 S+ 0 0 69 -4,-0.5 -1,-0.2 -58,-0.1 -50,-0.1 -0.161 105.1 59.2 -84.3 39.2 16.0 26.5 39.9 576 145 D Y T <4 0 0 78 -3,-0.6 -2,-0.1 1,-0.4 -3,-0.0 0.361 360.0 360.0-118.2 -94.5 12.4 25.4 38.8 577 146 D H < 0 0 116 -4,-0.6 -1,-0.4 -434,-0.1 -299,-0.0 -0.875 360.0 360.0-114.6 360.0 11.0 22.4 40.7