==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 15-JAN-13 4IRO . COMPND 2 MOLECULE: HEMOGLOBIN SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: TREMATOMUS BERNACCHII; . AUTHOR A.MERLINO,A.BALSAMO,L.MAZZARELLA,A.VERGARA . 576 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25488.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 467 81.1 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 . 108 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 330 57.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 3 2 1 1 0 0 0 0 1 2 4 4 0 3 3 5 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A S 0 0 55 0, 0.0 2,-0.2 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 156.3 9.1 3.3 18.9 2 2 A L - 0 0 28 72,-0.2 2,-0.1 126,-0.1 123,-0.0 -0.522 360.0-147.4 -76.5 134.8 12.3 3.1 20.8 3 3 A S > - 0 0 44 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.439 30.4-104.2 -91.5 163.7 15.0 5.9 20.5 4 4 A D H > S+ 0 0 146 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.950 126.7 46.5 -48.7 -51.7 18.7 5.8 20.6 5 5 A K H > S+ 0 0 162 1,-0.2 4,-3.2 2,-0.2 3,-0.2 0.938 111.7 48.4 -59.7 -52.4 18.4 7.3 24.1 6 6 A D H > S+ 0 0 7 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.880 111.3 52.2 -55.3 -36.5 15.7 4.9 25.2 7 7 A K H < S+ 0 0 31 -4,-2.8 4,-0.4 2,-0.2 -1,-0.2 0.868 112.0 44.8 -71.4 -33.7 17.8 2.0 23.9 8 8 A A H X S+ 0 0 52 -4,-1.9 4,-3.4 -5,-0.2 3,-0.4 0.934 111.3 54.7 -68.8 -51.0 20.8 3.3 25.9 9 9 A A H X S+ 0 0 24 -4,-3.2 4,-2.6 1,-0.2 5,-0.3 0.944 111.5 43.4 -37.8 -63.8 18.5 3.8 28.9 10 10 A V H X S+ 0 0 1 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.665 115.0 49.7 -73.1 -9.0 17.3 0.2 28.8 11 11 A R H > S+ 0 0 114 -4,-0.4 4,-0.8 -3,-0.4 -1,-0.2 0.869 110.4 49.0 -96.7 -29.1 20.8 -1.1 28.2 12 12 A A H >X S+ 0 0 44 -4,-3.4 4,-2.0 2,-0.2 3,-1.5 0.986 114.0 46.9 -57.5 -61.1 22.3 0.9 31.1 13 13 A L H 3X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.3 5,-0.4 0.889 110.0 52.1 -50.8 -42.1 19.6 -0.3 33.4 14 14 A W H 3X S+ 0 0 39 -4,-0.8 4,-1.4 -5,-0.3 -1,-0.3 0.800 106.6 56.4 -70.6 -16.0 20.0 -3.9 32.3 15 15 A S H << S+ 0 0 99 -3,-1.5 4,-0.4 -4,-0.8 -2,-0.2 0.968 112.6 38.2 -76.6 -49.5 23.7 -3.6 32.9 16 16 A K H < S+ 0 0 132 -4,-2.0 3,-0.2 1,-0.1 -2,-0.2 0.870 129.7 29.7 -62.8 -40.4 23.3 -2.6 36.6 17 17 A I H >< S+ 0 0 0 -4,-2.4 3,-3.1 -5,-0.3 -3,-0.2 0.817 91.4 88.2 -99.9 -28.8 20.3 -4.9 37.4 18 18 A G G >< S+ 0 0 22 -4,-1.4 3,-1.6 -5,-0.4 4,-0.2 0.711 73.4 77.8 -48.3 -25.4 20.6 -8.0 35.1 19 19 A K G 3 S+ 0 0 189 -4,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.806 102.0 38.3 -55.6 -25.6 22.8 -9.7 37.7 20 20 A S G <> S+ 0 0 33 -3,-3.1 4,-1.6 1,-0.1 -1,-0.3 -0.009 75.5 121.8-117.0 34.2 19.6 -10.4 39.7 21 21 A A H <> S+ 0 0 10 -3,-1.6 4,-1.4 2,-0.2 43,-0.1 0.753 74.5 55.8 -73.1 -26.3 17.1 -11.2 36.9 22 22 A D H >> S+ 0 0 97 -4,-0.2 4,-1.3 -3,-0.2 3,-1.1 0.994 111.2 45.3 -58.3 -63.1 16.4 -14.7 38.3 23 23 A A H 3> S+ 0 0 49 1,-0.3 4,-1.0 2,-0.2 -2,-0.2 0.703 112.5 53.3 -37.5 -42.1 15.5 -13.0 41.5 24 24 A I H 3X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -1,-0.3 0.787 107.8 48.5 -77.1 -27.8 13.5 -10.4 39.6 25 25 A G H < + 0 0 39 -4,-0.8 3,-2.7 -5,-0.3 -1,-0.3 -0.529 67.8 170.9-144.1 66.8 -4.2 -10.8 39.1 37 37 A P G > + 0 0 23 0, 0.0 3,-3.1 0, 0.0 542,-0.2 0.776 70.0 77.7 -60.8 -26.3 -5.5 -14.3 39.9 38 38 A Q G > S+ 0 0 64 540,-0.5 3,-1.4 1,-0.3 4,-0.2 0.763 82.4 67.0 -51.4 -28.8 -7.4 -14.3 36.6 39 39 A T G X> S+ 0 0 2 -3,-2.7 3,-0.9 -7,-0.3 4,-0.7 0.497 79.0 84.0 -71.9 -1.1 -4.0 -15.0 35.0 40 40 A K H <> + 0 0 36 -3,-3.1 4,-1.0 1,-0.2 -1,-0.3 0.637 62.4 86.4 -77.8 -16.2 -4.1 -18.3 36.8 41 41 A T H <4 S+ 0 0 14 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.1 0.858 97.8 42.5 -42.8 -42.5 -6.3 -19.7 33.9 42 42 A Y H X4 S+ 0 0 30 -3,-0.9 3,-1.1 1,-0.2 -2,-0.2 0.990 116.0 37.1 -71.3 -83.3 -2.8 -20.4 32.4 43 43 A F H >< S+ 0 0 30 -4,-0.7 3,-2.4 1,-0.3 -1,-0.2 0.351 83.6 105.3 -68.8 14.3 -0.4 -21.8 35.0 44 44 A S T 3< + 0 0 60 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.544 69.1 69.9 -68.1 -7.0 -3.2 -23.8 36.7 45 45 A H T < S+ 0 0 139 -3,-1.1 -1,-0.3 3,-0.1 -2,-0.1 0.604 81.1 111.2 -73.6 -15.0 -1.5 -26.8 35.0 46 46 A W S < S- 0 0 37 -3,-2.4 3,-0.1 1,-0.1 10,-0.0 -0.390 70.5-143.1 -72.1 130.9 1.3 -26.1 37.5 47 47 A P S S+ 0 0 107 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.793 97.5 29.6 -55.1 -28.2 1.9 -28.6 40.3 48 48 A D + 0 0 57 -5,-0.1 4,-0.1 1,-0.1 -3,-0.1 -0.995 59.8 164.3-138.0 133.4 2.6 -25.5 42.4 49 49 A V + 0 0 37 -2,-0.4 -1,-0.1 -3,-0.1 -16,-0.1 0.534 46.9 95.4-128.1 -8.9 1.0 -22.1 42.0 50 50 A T S > S- 0 0 93 1,-0.1 3,-3.7 2,-0.0 6,-0.2 -0.707 87.9 -96.7 -84.3 138.7 1.7 -20.2 45.2 51 51 A P T 3 S+ 0 0 44 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.270 120.9 53.9 -40.8 136.0 4.7 -17.8 45.5 52 52 A G T 3 S+ 0 0 67 1,-0.3 5,-0.1 -26,-0.1 -2,-0.0 -0.251 82.3 134.8 101.6 -35.1 7.2 -20.0 47.2 53 53 A S X> - 0 0 1 -3,-3.7 4,-2.8 1,-0.2 3,-1.2 -0.302 55.4-149.0 -52.0 111.0 6.5 -22.5 44.3 54 54 A P H 3> S+ 0 0 67 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.687 103.1 60.3 -45.8 -26.9 9.7 -23.9 42.9 55 55 A H H 3> S+ 0 0 61 2,-0.2 4,-1.7 1,-0.1 5,-0.1 0.837 108.9 42.3 -70.4 -33.2 7.7 -24.0 39.7 56 56 A I H <> S+ 0 0 0 -3,-1.2 4,-1.8 -6,-0.2 5,-0.2 0.884 111.1 54.2 -80.3 -40.3 7.4 -20.2 40.0 57 57 A K H X S+ 0 0 96 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.841 114.2 44.3 -52.6 -36.5 11.0 -19.8 41.1 58 58 A A H X S+ 0 0 39 -4,-1.2 4,-1.0 -5,-0.2 -2,-0.2 0.830 112.4 47.2 -87.0 -39.1 12.0 -21.6 38.0 59 59 A H H X S+ 0 0 53 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.693 104.1 60.5 -76.0 -29.7 9.7 -20.0 35.4 60 60 A G H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 5,-0.3 0.939 100.6 58.1 -65.8 -42.2 10.5 -16.5 36.6 61 61 A K H X S+ 0 0 78 -4,-0.9 4,-1.5 -5,-0.2 3,-0.4 0.936 107.2 48.1 -38.1 -60.8 14.1 -17.4 35.6 62 62 A K H >X S+ 0 0 157 -4,-1.0 4,-2.0 1,-0.2 3,-1.1 0.939 105.9 54.9 -52.0 -58.0 12.8 -18.1 32.1 63 63 A V H 3X S+ 0 0 36 -4,-2.5 4,-1.0 1,-0.3 -1,-0.2 0.790 110.5 45.1 -56.9 -31.8 10.8 -14.9 31.7 64 64 A M H 3X S+ 0 0 3 -4,-1.8 4,-2.3 -3,-0.4 -1,-0.3 0.747 106.9 59.5 -86.7 -20.8 13.8 -12.6 32.5 65 65 A G H XX S+ 0 0 37 -4,-1.5 4,-3.2 -3,-1.1 3,-1.1 0.999 106.3 48.9 -54.3 -65.7 16.0 -14.8 30.2 66 66 A G H 3X S+ 0 0 24 -4,-2.0 4,-2.6 1,-0.3 -2,-0.2 0.748 112.0 48.1 -35.3 -40.8 13.5 -13.8 27.5 67 67 A I H 3X S+ 0 0 13 -4,-1.0 4,-1.5 -5,-0.3 -1,-0.3 0.725 107.6 54.2 -86.0 -24.2 13.9 -10.2 28.7 68 68 A A H X S+ 0 0 67 -4,-3.2 3,-1.2 1,-0.2 4,-0.5 0.956 108.7 52.2 -50.6 -56.2 17.0 -11.8 25.0 70 70 A A H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.3 4,-0.3 0.861 104.8 55.0 -58.4 -36.2 14.8 -8.9 24.1 71 71 A V H >< S+ 0 0 11 -4,-1.5 3,-0.7 1,-0.3 -1,-0.3 0.875 107.8 51.9 -64.2 -26.9 17.5 -6.5 25.4 72 72 A S H << S+ 0 0 70 -4,-1.3 -1,-0.3 -3,-1.2 -2,-0.2 0.563 115.8 39.7 -82.0 -6.1 19.8 -8.2 22.9 73 73 A K T X< S+ 0 0 87 -3,-1.3 3,-3.6 -4,-0.5 7,-0.3 0.132 75.2 128.3-123.5 15.8 17.3 -7.7 20.1 74 74 A I T < S+ 0 0 5 -3,-0.7 3,-0.4 1,-0.3 -72,-0.2 0.669 72.1 54.5 -54.7 -24.4 16.2 -4.2 21.0 75 75 A D T 3 S+ 0 0 118 1,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.652 127.2 20.4 -85.2 -16.4 16.9 -2.9 17.5 76 76 A D <> + 0 0 82 -3,-3.6 4,-2.8 -6,-0.2 -1,-0.2 -0.515 67.1 160.6-151.5 76.9 14.6 -5.6 16.1 77 77 A L H > S+ 0 0 19 -3,-0.4 4,-2.5 1,-0.2 -3,-0.1 0.901 75.6 58.9 -66.2 -43.5 12.2 -7.1 18.7 78 78 A K H 4 S+ 0 0 83 2,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.918 116.1 34.6 -52.3 -44.0 9.8 -8.5 16.2 79 79 A T H >4 S+ 0 0 81 1,-0.2 3,-1.8 -6,-0.2 4,-0.3 0.984 116.7 52.7 -79.5 -52.2 12.6 -10.7 14.7 80 80 A G H 3< S+ 0 0 25 -4,-2.8 3,-0.3 -7,-0.3 -2,-0.2 0.769 117.4 40.2 -42.9 -36.0 14.4 -11.3 17.9 81 81 A L T 3X S+ 0 0 3 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.3 0.171 75.7 110.2-110.3 16.6 11.2 -12.6 19.6 82 82 A M H <> S+ 0 0 63 -3,-1.8 4,-1.5 1,-0.2 5,-0.2 0.815 80.3 51.4 -69.9 -30.3 9.4 -14.6 16.9 83 83 A E H > S+ 0 0 179 -4,-0.3 4,-1.2 -3,-0.3 -1,-0.2 0.903 112.6 46.5 -71.0 -36.1 9.9 -18.0 18.6 84 84 A L H > S+ 0 0 60 2,-0.2 4,-2.8 -4,-0.1 5,-0.3 0.894 111.8 53.8 -68.0 -44.3 8.5 -16.6 21.9 85 85 A S H X S+ 0 0 0 -4,-2.6 4,-3.9 2,-0.2 3,-0.3 0.970 107.4 46.3 -45.7 -85.0 5.6 -15.0 20.0 86 86 A E H <>S+ 0 0 66 -4,-1.5 5,-1.9 1,-0.3 4,-0.2 0.714 114.3 52.0 -34.0 -36.4 4.4 -18.2 18.2 87 87 A Q H <>S+ 0 0 85 -4,-1.2 5,-3.3 -5,-0.2 6,-0.4 0.987 119.1 32.0 -66.6 -60.2 4.7 -20.0 21.5 88 88 A H H <5S+ 0 0 39 -4,-2.8 6,-1.8 -3,-0.3 -2,-0.2 0.902 133.7 34.3 -68.2 -35.2 2.6 -17.5 23.6 89 89 A A T X5S+ 0 0 1 -4,-3.9 4,-0.8 -5,-0.3 -3,-0.2 0.972 129.0 28.0 -79.5 -67.5 0.5 -16.7 20.6 90 90 A Y T 45S+ 0 0 108 -4,-0.2 -3,-0.2 -5,-0.2 3,-0.2 0.986 133.8 22.2 -61.3 -68.5 0.1 -19.9 18.6 91 91 A K T 4 - 0 0 2 1,-0.1 3,-3.9 375,-0.1 4,-0.4 -0.831 13.8-133.9 -99.3 134.9 -4.2 -12.9 25.8 96 96 A P G >> S+ 0 0 34 0, 0.0 3,-1.4 0, 0.0 4,-0.6 0.793 104.6 70.3 -55.8 -28.6 -2.2 -9.9 24.9 97 97 A A G >4 S+ 0 0 38 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.808 91.3 62.0 -54.4 -28.3 -4.0 -8.1 27.7 98 98 A N G X> S+ 0 0 13 -3,-3.9 4,-1.2 1,-0.2 3,-0.5 0.680 88.7 66.2 -79.2 -14.3 -1.9 -10.2 30.0 99 99 A F H <> S+ 0 0 28 -3,-1.4 4,-1.2 -4,-0.4 -1,-0.2 0.790 94.3 61.9 -70.4 -25.6 1.5 -8.9 28.8 100 100 A K H S+ 0 0 31 -3,-0.5 4,-2.9 -4,-0.4 5,-0.2 0.917 107.0 47.3 -87.0 -52.8 0.3 -7.0 33.8 102 102 A L H X S+ 0 0 26 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.836 113.1 52.6 -61.0 -32.9 3.5 -8.9 34.3 103 103 A N H X S+ 0 0 20 -4,-1.2 4,-3.8 2,-0.2 5,-0.3 0.948 106.8 52.4 -66.5 -48.0 5.3 -5.8 32.9 104 104 A H H X S+ 0 0 19 -4,-1.4 4,-0.6 1,-0.2 -2,-0.2 0.947 114.8 41.4 -43.4 -56.7 3.5 -3.8 35.5 105 105 A C H >X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 3,-0.6 0.869 113.5 52.8 -62.9 -35.4 4.8 -6.3 38.1 106 106 A I H 3X S+ 0 0 4 -4,-2.9 4,-1.6 1,-0.3 -2,-0.2 0.919 107.8 52.9 -65.2 -38.0 8.1 -6.3 36.4 107 107 A L H 3X S+ 0 0 6 -4,-3.8 4,-0.8 1,-0.2 -1,-0.3 0.625 114.7 42.1 -62.6 -19.5 8.0 -2.5 36.7 108 108 A V H - 0 0 40 -2,-2.6 4,-1.7 -3,-0.1 5,-0.1 -0.037 45.5-111.7 -59.7 165.4 15.0 6.6 37.7 120 120 A P H > S+ 0 0 26 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.844 125.4 50.8 -65.2 -27.2 11.9 8.2 36.3 121 121 A E H > S+ 0 0 77 2,-0.2 4,-1.2 1,-0.2 5,-0.2 0.913 107.9 49.5 -70.6 -49.7 14.0 8.4 33.1 122 122 A A H > S+ 0 0 12 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.853 112.3 52.6 -54.6 -34.2 15.0 4.8 33.2 123 123 A H H X S+ 0 0 0 -4,-1.7 4,-3.6 2,-0.2 5,-0.3 0.938 101.7 52.3 -74.2 -52.3 11.3 4.0 33.7 124 124 A V H X S+ 0 0 11 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.787 116.5 45.2 -60.0 -26.5 9.7 5.8 30.8 125 125 A S H X S+ 0 0 4 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.871 113.1 45.7 -81.2 -56.0 12.3 4.0 28.6 126 126 A L H X S+ 0 0 5 -4,-2.8 4,-1.5 -5,-0.2 -2,-0.2 0.897 112.2 55.6 -55.8 -34.3 11.9 0.5 30.1 127 127 A D H >X S+ 0 0 22 -4,-3.6 4,-2.2 1,-0.2 3,-0.5 0.975 108.0 45.7 -67.5 -45.6 8.2 1.0 29.9 128 128 A K H 3X S+ 0 0 22 -4,-1.3 4,-3.0 -5,-0.3 -1,-0.2 0.906 113.0 51.7 -59.3 -37.7 8.2 1.7 26.2 129 129 A F H 3X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.3 0.751 106.1 56.4 -68.4 -24.9 10.5 -1.2 25.7 130 130 A L H < S+ 0 0 82 -4,-4.2 3,-0.6 2,-0.2 -2,-0.2 0.955 112.0 45.5 -58.6 -50.6 4.2 -5.9 20.5 136 136 A A H >< S+ 0 0 2 -4,-1.9 3,-1.9 1,-0.3 4,-0.3 0.947 110.9 54.1 -58.4 -45.5 6.9 -8.2 19.3 137 137 A L H 3< S+ 0 0 13 -4,-3.6 3,-0.5 1,-0.3 -1,-0.3 0.795 106.3 54.4 -58.9 -25.2 5.4 -11.0 21.4 138 138 A A T X< S+ 0 0 26 -4,-1.4 3,-1.2 -3,-0.6 4,-0.4 0.333 75.4 101.2 -94.6 13.6 2.0 -10.4 19.7 139 139 A E T < S+ 0 0 27 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.859 80.9 50.9 -65.4 -31.0 3.3 -10.8 16.1 140 140 A R T 3 S+ 0 0 83 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.1 0.421 87.2 90.1 -91.2 5.4 2.0 -14.3 15.7 141 141 A Y < 0 0 19 -3,-1.2 -1,-0.1 -52,-0.0 -2,-0.1 0.997 360.0 360.0 -67.0 -75.1 -1.6 -13.7 16.9 142 142 A R 0 0 73 -4,-0.4 325,-0.1 325,-0.1 326,-0.0 -0.412 360.0 360.0-128.0 360.0 -3.7 -12.8 13.9 143 !* 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 0.0 144 1 B V 0 0 111 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.7 -16.7 -4.0 46.5 145 2 B E - 0 0 166 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.427 360.0-143.3 -84.3 168.7 -16.1 -5.7 49.8 146 3 B W - 0 0 21 -2,-0.1 76,-0.0 4,-0.0 126,-0.0 -0.982 7.5-135.1-135.4 120.0 -12.9 -5.6 51.9 147 4 B T > - 0 0 77 -2,-0.4 4,-2.7 1,-0.1 5,-0.1 -0.234 32.6-112.2 -62.2 171.4 -11.3 -8.3 54.0 148 5 B D H > S+ 0 0 133 2,-0.2 4,-4.1 1,-0.2 -1,-0.1 0.944 121.5 53.3 -69.0 -43.1 -10.2 -7.2 57.4 149 6 B K H > S+ 0 0 122 2,-0.2 4,-4.5 1,-0.2 5,-0.4 0.925 108.7 48.6 -50.8 -52.2 -6.6 -7.7 56.2 150 7 B E H > S+ 0 0 42 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.957 113.8 46.4 -54.0 -53.7 -7.3 -5.5 53.2 151 8 B R H X S+ 0 0 108 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.918 118.3 45.5 -45.1 -52.6 -8.8 -3.0 55.6 152 9 B S H X S+ 0 0 79 -4,-4.1 4,-2.4 2,-0.2 -2,-0.2 0.956 111.2 47.9 -56.4 -64.7 -5.7 -3.6 57.7 153 10 B I H X S+ 0 0 26 -4,-4.5 4,-2.5 1,-0.2 -1,-0.2 0.878 114.0 49.4 -49.5 -43.3 -3.0 -3.4 55.0 154 11 B I H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.4 5,-0.3 0.932 107.6 52.1 -68.3 -44.3 -4.5 -0.3 53.6 155 12 B S H X S+ 0 0 72 -4,-2.2 4,-0.8 -5,-0.3 -1,-0.2 0.940 113.4 46.6 -53.2 -47.0 -4.8 1.5 57.0 156 13 B D H >X S+ 0 0 77 -4,-2.4 4,-2.4 2,-0.2 3,-1.4 0.971 107.2 54.9 -61.9 -59.7 -1.1 0.7 57.6 157 14 B I H 3X S+ 0 0 11 -4,-2.5 4,-1.5 1,-0.3 -2,-0.2 0.911 111.8 43.3 -39.0 -60.6 0.2 1.8 54.2 158 15 B F H 3< S+ 0 0 11 -4,-2.0 -1,-0.3 1,-0.2 5,-0.2 0.749 112.6 55.5 -67.0 -14.4 -1.2 5.3 54.4 159 16 B S H << S+ 0 0 68 -3,-1.4 -2,-0.2 -4,-0.8 -1,-0.2 0.957 113.3 35.5 -88.7 -42.7 -0.2 5.7 57.9 160 17 B H H < S+ 0 0 143 -4,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.640 97.5 109.1 -77.3 -12.5 3.5 5.0 57.7 161 18 B M S < S- 0 0 15 -4,-1.5 2,-0.9 -5,-0.4 3,-0.1 -0.347 73.2-132.7 -61.8 148.5 3.4 6.7 54.3 162 19 B D >> - 0 0 84 1,-0.2 3,-3.0 2,-0.0 4,-1.9 -0.793 20.8-164.9-105.1 86.5 5.2 10.1 54.2 163 20 B Y H 3> S+ 0 0 19 -2,-0.9 4,-0.7 1,-0.3 48,-0.2 0.720 82.2 51.5 -48.6 -35.4 2.5 12.1 52.4 164 21 B D H 34 S+ 0 0 102 1,-0.1 -1,-0.3 2,-0.1 44,-0.1 0.444 115.7 40.3 -87.8 0.0 4.6 15.1 51.6 165 22 B D H <> S+ 0 0 53 -3,-3.0 4,-1.2 2,-0.1 -2,-0.2 0.739 115.1 43.1-117.1 -43.3 7.4 13.0 50.0 166 23 B I H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 5,-0.2 0.676 105.9 69.4 -78.0 -16.8 5.8 10.2 48.0 167 24 B G H >X S+ 0 0 1 -4,-0.7 4,-2.0 -5,-0.4 3,-0.6 0.996 104.9 33.6 -63.2 -73.3 3.3 12.8 46.7 168 25 B P H 3> S+ 0 0 29 0, 0.0 4,-3.7 0, 0.0 5,-0.4 0.880 116.4 58.9 -44.9 -48.1 5.6 14.9 44.5 169 26 B K H 3X S+ 0 0 98 -4,-1.2 4,-2.4 1,-0.2 -2,-0.2 0.884 110.0 41.3 -52.6 -44.8 7.7 11.8 43.6 170 27 B A H X S+ 0 0 11 -4,-3.7 4,-0.9 -5,-0.3 3,-0.6 0.967 111.2 50.0 -43.9 -56.4 6.6 14.0 39.1 173 30 B R H 3X S+ 0 0 24 -4,-2.4 4,-1.7 -5,-0.4 -1,-0.2 0.784 108.3 53.6 -63.4 -22.9 7.2 10.4 37.9 174 31 B C H 3X S+ 0 0 3 -4,-0.8 4,-2.2 -3,-0.2 7,-0.3 0.860 101.2 57.1 -78.1 -33.8 3.8 10.4 36.0 175 32 B L H << S+ 0 0 0 -4,-1.6 7,-0.2 -3,-0.6 -1,-0.2 0.779 114.1 39.0 -70.0 -26.0 4.4 13.6 34.1 176 33 B I H < S+ 0 0 15 -4,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.847 119.4 42.5 -91.4 -48.3 7.6 12.1 32.5 177 34 B V H < S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.2 0.739 133.0 25.9 -74.4 -31.1 6.6 8.5 31.9 178 35 B Y S >< S+ 0 0 25 -4,-2.2 3,-2.8 -5,-0.2 -1,-0.3 -0.513 76.3 175.4-132.5 66.3 3.2 9.7 30.7 179 36 B P G > S+ 0 0 21 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.594 70.1 74.2 -57.9 -18.8 3.9 13.2 29.4 180 37 B W G > S+ 0 0 17 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.759 86.2 68.9 -66.1 -17.4 0.4 13.7 28.0 181 38 B T G < S+ 0 0 6 -3,-2.8 -1,-0.3 -7,-0.3 -6,-0.1 0.321 80.7 73.0 -78.7 6.9 -0.5 14.1 31.7 182 39 B Q G X S+ 0 0 32 -3,-2.1 3,-1.8 -7,-0.2 -1,-0.2 0.526 75.8 88.3 -89.2 -8.2 1.5 17.4 31.7 183 40 B R G X S+ 0 0 53 -3,-1.3 3,-0.6 1,-0.3 -2,-0.2 0.932 85.3 47.3 -43.6 -60.4 -1.5 18.7 29.7 184 41 B H G 3 S+ 0 0 38 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.110 102.2 68.4 -78.5 20.1 -3.4 19.6 32.9 185 42 B F G < + 0 0 32 -3,-1.8 -1,-0.3 1,-0.0 -2,-0.1 -0.189 65.1 149.6-135.4 43.8 -0.3 21.4 34.3 186 43 B S < + 0 0 101 -3,-0.6 2,-0.8 1,-0.2 3,-0.3 0.858 58.4 40.8 -39.4-114.8 -0.1 24.3 31.9 187 44 B G S S+ 0 0 74 1,-0.2 -1,-0.2 2,-0.1 3,-0.0 -0.190 72.2 123.5 -43.9 88.5 1.4 27.4 33.4 188 45 B F - 0 0 38 -2,-0.8 2,-0.3 13,-0.0 -1,-0.2 0.582 61.3-139.6-123.9 -27.3 4.1 25.8 35.5 189 46 B G S S+ 0 0 70 -3,-0.3 2,-0.2 11,-0.1 -2,-0.1 -0.322 80.3 36.8 107.8 -47.3 7.1 27.7 34.1 190 47 B N + 0 0 92 -2,-0.3 9,-0.0 6,-0.1 -3,-0.0 -0.710 62.1 123.1-143.6 83.9 9.8 25.2 33.7 191 48 B L + 0 0 27 -2,-0.2 -1,-0.1 5,-0.1 6,-0.1 -0.006 37.3 119.8-125.5 23.4 8.7 21.7 32.7 192 49 B Y S S+ 0 0 162 -3,-0.1 2,-0.1 4,-0.0 -2,-0.0 0.968 79.7 15.7 -52.8 -81.1 10.9 21.5 29.6 193 50 B N S >> S- 0 0 83 1,-0.1 4,-1.2 4,-0.0 3,-0.9 -0.410 92.8 -98.5 -87.0 170.4 13.0 18.4 30.6 194 51 B A H >> S+ 0 0 18 1,-0.2 4,-1.8 2,-0.2 3,-0.7 0.929 117.5 62.5 -44.8 -60.4 12.2 15.9 33.3 195 52 B E H 3> S+ 0 0 94 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.672 101.8 53.7 -53.3 -26.9 14.4 17.4 35.9 196 53 B A H <4 S+ 0 0 9 -3,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.957 105.5 52.2 -64.1 -59.9 12.3 20.6 35.8 197 54 B I H X< S+ 0 0 1 -4,-1.2 3,-1.2 -3,-0.7 -2,-0.2 0.924 111.8 47.7 -36.0 -64.5 9.1 18.6 36.4 198 55 B I H 3< S+ 0 0 83 -4,-1.8 2,-1.7 1,-0.3 -2,-0.2 0.962 113.2 46.9 -44.7 -65.8 10.8 17.0 39.4 199 56 B G T 3< S+ 0 0 68 -4,-2.3 2,-0.4 -5,-0.2 -1,-0.3 -0.191 90.2 116.2 -78.8 49.2 12.0 20.4 40.7 200 57 B N X> - 0 0 18 -2,-1.7 4,-1.2 -3,-1.2 3,-1.0 -0.983 54.2-156.0-120.4 129.8 8.6 22.1 40.2 201 58 B A H 3> S+ 0 0 82 -2,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.828 91.9 60.5 -67.0 -35.6 6.6 23.4 43.2 202 59 B N H 34 S+ 0 0 88 1,-0.2 4,-0.3 -14,-0.2 -1,-0.2 0.394 106.1 48.6 -83.3 10.2 3.3 23.2 41.4 203 60 B V H <> S+ 0 0 1 -3,-1.0 4,-1.9 -6,-0.2 -1,-0.2 0.707 106.3 53.9-109.4 -37.4 3.7 19.5 41.0 204 61 B A H X S+ 0 0 26 -4,-1.2 4,-2.2 2,-0.2 5,-0.2 0.939 106.7 54.8 -57.6 -53.6 4.6 18.7 44.6 205 62 B A H >X S+ 0 0 44 -4,-2.0 4,-4.2 1,-0.2 3,-1.1 0.953 114.5 36.4 -43.3 -73.5 1.5 20.5 45.8 206 63 B H H 3> S+ 0 0 29 -4,-0.3 4,-2.5 1,-0.3 -1,-0.2 0.842 114.3 58.4 -52.1 -35.5 -1.0 18.5 43.8 207 64 B G H 3X S+ 0 0 2 -4,-1.9 4,-0.5 2,-0.2 -1,-0.3 0.834 115.9 35.3 -71.9 -26.3 1.2 15.4 44.3 208 65 B I H XX S+ 0 0 32 -4,-2.2 4,-2.0 -3,-1.1 3,-0.5 0.860 112.3 60.5 -84.8 -47.8 0.7 15.9 48.0 209 66 B K H 3X S+ 0 0 124 -4,-4.2 4,-1.7 -5,-0.2 -2,-0.2 0.837 104.8 53.3 -34.2 -47.0 -2.8 17.2 47.5 210 67 B V H 3X S+ 0 0 34 -4,-2.5 4,-0.6 -5,-0.2 -1,-0.2 0.821 103.4 51.1 -73.7 -36.8 -3.5 13.8 46.0 211 68 B L H XX S+ 0 0 2 -3,-0.5 3,-1.7 -4,-0.5 4,-0.8 0.968 109.5 51.7 -71.2 -42.4 -2.3 11.6 48.8 212 69 B H H >X S+ 0 0 80 -4,-2.0 3,-1.8 1,-0.3 4,-0.8 0.924 101.8 62.3 -52.8 -46.0 -4.4 13.5 51.3 213 70 B G H 3< S+ 0 0 7 -4,-1.7 4,-0.4 1,-0.3 -1,-0.3 0.670 99.4 54.4 -59.2 -15.8 -7.5 13.0 49.1 214 71 B L H < S+ 0 0 26 -4,-2.5 3,-0.7 2,-0.1 -2,-0.2 0.905 114.6 49.4 -70.4 -41.5 -9.2 5.2 53.7 219 76 B K H 3< S+ 0 0 172 -4,-3.8 2,-0.6 1,-0.3 -2,-0.2 0.962 123.8 28.3 -54.9 -58.9 -11.5 7.0 56.2 220 77 B N T >< S+ 0 0 74 -4,-3.3 3,-1.1 1,-0.2 -1,-0.3 -0.586 73.2 172.3-109.3 69.4 -14.7 5.9 54.4 221 78 B M T < S+ 0 0 12 -3,-0.7 3,-0.3 -2,-0.6 -1,-0.2 0.726 80.5 36.1 -45.3 -31.3 -13.6 2.6 52.8 222 79 B D T 3 S+ 0 0 94 1,-0.2 -1,-0.3 -3,-0.1 3,-0.2 0.519 109.4 59.2-114.2 -7.7 -17.1 1.8 51.7 223 80 B N <> + 0 0 68 -3,-1.1 4,-1.9 1,-0.1 -1,-0.2 -0.240 67.8 127.3-103.2 46.4 -18.5 5.2 50.8 224 81 B I H > + 0 0 7 -3,-0.3 4,-2.1 2,-0.2 5,-0.2 0.984 67.2 50.9 -66.4 -54.3 -15.8 5.8 48.2 225 82 B A H >> S+ 0 0 52 1,-0.3 4,-0.7 2,-0.2 3,-0.5 0.923 116.8 39.1 -46.0 -63.1 -18.1 6.7 45.3 226 83 B A H >4 S+ 0 0 57 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.891 111.5 65.0 -53.5 -38.3 -20.1 9.3 47.3 227 84 B T H 3< S+ 0 0 34 -4,-1.9 3,-0.3 1,-0.3 4,-0.2 0.900 108.4 33.7 -57.1 -43.2 -16.8 10.3 48.8 228 85 B Y H S+ 0 0 136 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.3 0.846 113.2 60.5 -66.1 -27.2 -17.5 16.5 44.0 231 88 B L H > S+ 0 0 43 -3,-0.4 4,-2.4 -4,-0.2 -1,-0.2 0.893 105.1 48.3 -66.9 -39.0 -13.8 15.7 43.2 232 89 B S H X S+ 0 0 0 -4,-2.3 4,-3.9 -3,-0.3 -2,-0.2 0.989 110.8 48.1 -58.3 -63.5 -14.8 14.0 40.0 233 90 B T H X>S+ 0 0 41 -4,-1.7 4,-1.9 1,-0.2 5,-0.5 0.849 111.4 54.8 -48.2 -40.0 -17.1 16.8 38.7 234 91 B L H X>S+ 0 0 72 -4,-2.2 5,-2.3 -5,-0.2 4,-1.9 0.995 113.1 37.9 -53.5 -66.6 -14.2 19.1 39.6 235 92 B H H <5S+ 0 0 26 -4,-2.4 6,-2.9 3,-0.2 -2,-0.2 0.842 122.3 51.7 -58.3 -34.6 -11.7 17.3 37.5 236 93 B S H X5S+ 0 0 11 -4,-3.9 4,-1.5 4,-0.2 -2,-0.2 0.980 118.5 21.6 -61.0 -86.1 -14.5 16.7 34.9 237 94 B E H <5S+ 0 0 115 -4,-1.9 -3,-0.2 50,-0.2 -2,-0.2 0.556 139.9 20.0 -78.4 -9.9 -16.2 20.0 34.1 238 95 B K T < - 0 0 2 -2,-0.4 3,-1.1 -3,-0.2 4,-0.2 -0.502 14.1-136.2 -65.7 133.8 -8.9 12.7 31.2 243 100 B P T >> S+ 0 0 25 0, 0.0 3,-2.2 0, 0.0 4,-0.6 0.828 103.3 64.2 -54.2 -40.2 -10.2 9.8 33.2 244 101 B D H >> S+ 0 0 51 1,-0.3 4,-1.3 2,-0.2 3,-0.6 0.849 89.1 71.5 -57.1 -30.7 -7.5 7.5 31.8 245 102 B N H <> S+ 0 0 14 -3,-1.1 4,-1.8 1,-0.2 -1,-0.3 0.715 88.0 65.1 -53.0 -24.9 -5.0 9.8 33.6 246 103 B F H <> S+ 0 0 21 -3,-2.2 4,-2.1 -4,-0.2 -1,-0.2 0.931 99.7 45.8 -71.5 -49.0 -6.2 8.3 36.9 247 104 B K H < S- 0 0 57 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.686 82.9-178.1-106.3 -18.1 8.9 0.1 50.8 262 119 B G G >< S- 0 0 18 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 -0.275 71.0 -4.0 59.2-144.6 11.3 -2.4 49.3 263 120 B H G 3 S+ 0 0 183 1,-0.3 -1,-0.3 -151,-0.1 -150,-0.0 0.694 125.5 71.3 -54.3 -25.5 10.8 -6.0 50.4 264 121 B A G < S+ 0 0 64 -3,-1.6 2,-0.4 1,-0.2 -1,-0.3 0.336 76.3 85.0 -82.2 11.5 8.0 -4.9 52.8 265 122 B F S < S- 0 0 0 -3,-1.9 -1,-0.2 -7,-0.2 -3,-0.1 -0.593 74.0-177.7-102.2 59.2 5.9 -4.3 49.7 266 123 B T > - 0 0 60 -2,-0.4 4,-1.5 1,-0.1 5,-0.1 0.100 42.0-104.8 -48.1 161.4 4.9 -7.9 49.5 267 124 B A H >> S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.969 123.6 54.4 -57.8 -49.2 2.6 -9.2 46.7 268 125 B E H 3> S+ 0 0 99 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.866 105.4 52.7 -54.8 -37.3 -0.3 -9.3 49.2 269 126 B T H 3> S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.905 107.2 53.0 -65.2 -33.5 0.3 -5.7 50.1 270 127 B Q H X S+ 0 0 54 -4,-3.2 4,-2.2 2,-0.2 3,-0.9 0.971 106.0 48.9 -47.4 -69.3 -8.7 1.1 41.6 279 136 B V H 3X S+ 0 0 31 -4,-2.0 4,-1.8 1,-0.3 -1,-0.2 0.805 113.9 48.5 -43.7 -39.0 -12.0 1.8 43.4 280 137 B V H 3X S+ 0 0 4 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.3 0.901 111.1 50.0 -70.3 -37.8 -10.8 5.4 43.9 281 138 B V H - 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0 0 121 2,-0.1 2,-0.9 -5,-0.1 7,-0.1 -0.661 58.1-151.4-169.1 115.4 -20.5 23.6 21.4 339 49 C V + 0 0 25 -3,-0.4 3,-0.1 -2,-0.2 -5,-0.0 -0.132 42.9 156.1 -79.4 37.6 -19.5 20.0 21.1 340 50 C T > - 0 0 59 -2,-0.9 3,-1.1 1,-0.2 2,-0.2 -0.052 56.9 -74.2 -54.5 168.0 -23.1 19.0 20.3 341 51 C P T 3 S- 0 0 90 0, 0.0 -1,-0.2 0, 0.0 -21,-0.1 -0.504 112.4 -7.0 -68.6 137.8 -23.5 15.7 18.3 342 52 C G T 3 S+ 0 0 13 -26,-0.3 5,-0.1 -2,-0.2 -2,-0.1 0.720 83.9 175.2 50.6 27.1 -22.5 16.0 14.7 343 53 C S <> - 0 0 12 -3,-1.1 4,-3.4 1,-0.1 -1,-0.1 -0.320 44.4-114.0 -53.0 150.5 -22.0 19.8 14.9 344 54 C P H > S+ 0 0 73 0, 0.0 4,-3.3 0, 0.0 5,-0.5 0.926 122.8 53.8 -62.2 -42.1 -20.6 20.9 11.5 345 55 C H H > S+ 0 0 121 1,-0.3 4,-1.5 2,-0.2 -6,-0.1 0.902 112.9 43.8 -53.0 -41.4 -17.4 21.8 13.2 346 56 C I H > S+ 0 0 0 2,-0.2 4,-0.6 3,-0.1 -1,-0.3 0.926 115.9 50.5 -61.1 -46.7 -17.6 18.2 14.5 347 57 C K H >X S+ 0 0 94 -4,-3.4 3,-3.1 2,-0.2 4,-1.1 0.976 111.0 44.0 -53.3 -74.9 -18.6 17.3 10.9 348 58 C A H >X S+ 0 0 36 -4,-3.3 4,-1.5 1,-0.3 3,-0.5 0.809 110.3 59.3 -34.5 -45.9 -15.8 19.1 9.1 349 59 C H H 3X S+ 0 0 38 -4,-1.5 4,-2.3 -5,-0.5 -1,-0.3 0.686 97.8 58.1 -67.8 -17.7 -13.4 17.7 11.7 350 60 C G H X S+ 0 0 31 -4,-2.3 3,-1.2 2,-0.2 4,-0.9 0.972 119.6 36.6 -57.4 -58.5 -10.0 12.5 11.0 354 64 C M H 3X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.3 3,-0.3 0.800 110.6 65.5 -64.7 -32.0 -11.1 10.2 8.2 355 65 C G H 3X S+ 0 0 41 -4,-3.7 4,-1.3 -5,-0.3 -1,-0.3 0.770 100.1 51.0 -52.4 -37.9 -8.8 12.3 6.0 356 66 C G H X S+ 0 0 33 -4,-1.7 4,-1.9 1,-0.2 3,-0.7 0.970 111.4 51.0 -59.1 -56.5 -6.8 7.6 3.8 359 69 C L H 3X S+ 0 0 70 -4,-1.3 4,-2.5 1,-0.3 -1,-0.2 0.853 109.3 51.0 -32.2 -53.6 -3.3 9.1 4.3 360 70 C A H 3< S+ 0 0 0 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.784 104.9 59.5 -65.7 -26.5 -2.5 6.1 6.6 361 71 C V H X< S+ 0 0 22 -4,-1.5 3,-1.8 -3,-0.7 4,-0.2 0.993 110.1 38.4 -64.2 -56.7 -3.8 3.9 3.9 362 72 C S H >< S+ 0 0 71 -4,-1.9 3,-0.6 1,-0.3 -2,-0.2 0.918 120.4 46.1 -63.4 -44.0 -1.2 5.0 1.3 363 73 C K G >< S+ 0 0 103 -4,-2.5 3,-1.9 1,-0.2 -1,-0.3 0.189 81.2 117.9 -79.7 19.9 1.5 5.2 3.9 364 74 C I G < + 0 0 4 -3,-1.8 3,-0.4 1,-0.3 -1,-0.2 0.872 59.7 67.8 -58.1 -35.9 0.3 1.8 5.2 365 75 C D G < S+ 0 0 96 -3,-0.6 -1,-0.3 1,-0.3 2,-0.2 0.752 124.6 7.0 -63.6 -17.5 3.7 0.2 4.4 366 76 C D <> + 0 0 77 -3,-1.9 4,-1.1 -6,-0.1 -1,-0.3 -0.651 62.4 175.6-161.4 104.1 5.1 2.3 7.2 367 77 C L H > S+ 0 0 17 -3,-0.4 4,-2.5 2,-0.2 5,-0.1 0.778 75.1 69.6 -84.2 -26.1 2.9 4.5 9.5 368 78 C K H 4 S+ 0 0 97 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.980 112.3 30.8 -50.4 -63.3 5.7 5.7 11.8 369 79 C T H >4 S+ 0 0 102 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.896 119.7 62.1 -54.7 -40.5 7.3 7.8 9.1 370 80 C G H 3< S+ 0 0 8 -4,-1.1 -2,-0.2 -7,-0.3 -1,-0.2 0.735 111.0 28.4 -67.6 -32.4 3.8 8.3 7.7 371 81 C L T >X S+ 0 0 2 -4,-2.5 4,-3.0 -3,-0.5 3,-0.7 0.219 75.9 117.5-120.3 17.8 2.0 10.0 10.5 372 82 C M H <> S+ 0 0 34 -3,-0.9 4,-0.6 -4,-0.4 -1,-0.1 0.737 77.2 56.1 -63.8 -20.6 4.7 12.0 12.4 373 83 C E H 3> S+ 0 0 133 -4,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.901 114.3 39.4 -75.1 -36.6 3.0 15.3 11.6 374 84 C L H <> S+ 0 0 43 -3,-0.7 4,-2.8 2,-0.2 -2,-0.2 0.804 112.2 56.2 -77.5 -34.6 -0.2 14.0 13.1 375 85 C S H < S+ 0 0 0 -4,-3.0 5,-0.3 2,-0.2 -1,-0.2 0.672 110.3 48.5 -67.0 -17.2 1.8 12.3 15.9 376 86 C E H ><>S+ 0 0 75 -4,-0.6 5,-1.5 -5,-0.3 3,-0.7 0.900 113.4 43.1 -88.9 -49.0 3.2 15.8 16.5 377 87 C Q H 3<>S+ 0 0 102 -4,-2.1 5,-2.4 1,-0.2 6,-0.3 0.945 116.6 47.8 -51.8 -57.8 -0.1 17.7 16.5 378 88 C H T 3<5S+ 0 0 50 -4,-2.8 6,-1.1 3,-0.2 -1,-0.2 0.395 124.8 32.1 -75.9 6.0 -1.7 15.0 18.7 379 89 C A T <>5S+ 0 0 4 -3,-0.7 4,-2.7 4,-0.2 -3,-0.2 0.477 124.7 24.1-120.6 -91.8 1.3 15.0 21.0 380 90 C Y T 45S+ 0 0 135 -4,-0.5 -3,-0.2 -5,-0.3 -2,-0.1 0.801 134.5 37.3 -56.2 -28.7 3.3 18.1 21.7 381 91 C K T 4 - 0 0 2 -2,-0.2 3,-1.3 -3,-0.2 4,-0.4 -0.328 18.9-131.2 -57.5 130.2 -4.2 10.6 25.8 386 96 C P T >> S+ 0 0 34 0, 0.0 4,-0.9 0, 0.0 3,-0.7 0.681 97.8 82.8 -53.9 -21.4 -3.5 7.5 23.7 387 97 C A H >> S+ 0 0 22 1,-0.2 4,-1.1 2,-0.2 3,-0.7 0.892 85.3 52.1 -43.3 -56.0 -6.6 6.0 25.3 388 98 C N H <> S+ 0 0 9 -3,-1.3 4,-3.6 1,-0.3 5,-0.3 0.681 93.9 70.1 -71.7 -20.5 -9.1 7.7 23.0 389 99 C F H <> S+ 0 0 22 -3,-0.7 4,-3.4 -4,-0.4 -1,-0.3 0.943 103.6 44.0 -60.4 -45.2 -7.4 6.5 19.8 390 100 C K H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 3,-1.1 0.974 114.2 45.4 -51.6 -64.2 -19.7 3.1 11.7 400 110 C I H 3X S+ 0 0 3 -4,-2.1 4,-2.7 1,-0.3 8,-0.2 0.862 110.6 57.7 -45.6 -43.4 -18.2 1.3 8.7 401 111 C S H 3< S+ 0 0 2 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.873 109.8 42.8 -55.9 -40.9 -20.0 -1.8 10.1 402 112 C T H << S+ 0 0 7 -4,-1.9 -1,-0.2 -3,-1.1 -2,-0.2 0.797 118.7 44.6 -77.1 -31.6 -23.3 0.1 9.9 403 113 C M H < S+ 0 0 51 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.771 127.4 23.0 -84.8 -27.0 -22.5 1.5 6.5 404 114 C F X + 0 0 36 -4,-2.7 4,-3.2 -5,-0.2 -1,-0.2 -0.388 58.5 154.6-144.6 57.7 -21.1 -1.6 4.8 405 115 C P T 4 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.774 81.4 54.4 -59.2 -27.0 -22.2 -4.9 6.4 406 116 C K T 4 S+ 0 0 182 1,-0.1 3,-0.1 -3,-0.1 -2,-0.1 0.973 117.0 33.8 -73.0 -45.3 -21.6 -6.6 3.1 407 117 C E T 4 S+ 0 0 54 1,-0.2 2,-3.5 2,-0.1 5,-0.2 0.871 99.1 79.7 -75.4 -38.5 -18.0 -5.5 2.7 408 118 C F < + 0 0 2 -4,-3.2 -1,-0.2 -8,-0.2 5,-0.1 -0.226 67.7 169.5 -73.9 60.6 -17.0 -5.4 6.4 409 119 C T - 0 0 55 -2,-3.5 4,-0.1 -3,-0.1 5,-0.1 -0.045 50.6-103.1 -54.6 168.9 -16.4 -9.2 6.5 410 120 C P S >> S+ 0 0 17 0, 0.0 3,-2.9 0, 0.0 4,-2.0 0.993 124.8 49.2 -54.7 -61.6 -14.7 -10.8 9.5 411 121 C E H 3> S+ 0 0 59 1,-0.3 4,-1.6 2,-0.2 5,-0.3 0.865 109.8 50.8 -42.6 -48.1 -11.5 -11.1 7.5 412 122 C A H 34 S+ 0 0 10 1,-0.2 4,-0.4 -5,-0.2 -1,-0.3 0.503 109.9 55.5 -75.2 1.3 -11.7 -7.5 6.4 413 123 C H H <> S+ 0 0 0 -3,-2.9 4,-3.3 3,-0.1 -2,-0.2 0.806 103.3 48.6 -96.0 -43.9 -12.2 -6.7 10.1 414 124 C V H X S+ 0 0 14 -4,-2.0 4,-4.2 2,-0.2 5,-0.2 0.959 116.6 43.4 -67.0 -44.0 -9.1 -8.3 11.6 415 125 C S H X S+ 0 0 6 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.941 116.8 45.4 -62.2 -48.7 -6.9 -6.7 9.1 416 126 C L H > S+ 0 0 9 -4,-0.4 4,-2.3 -5,-0.3 -2,-0.2 0.892 115.7 51.3 -64.0 -30.6 -8.7 -3.3 9.4 417 127 C D H X S+ 0 0 22 -4,-3.3 4,-1.7 2,-0.2 -2,-0.2 0.994 111.3 43.4 -62.0 -60.9 -8.4 -4.0 13.1 418 128 C K H X S+ 0 0 28 -4,-4.2 4,-2.0 1,-0.2 -2,-0.2 0.840 113.6 55.7 -53.4 -36.2 -4.7 -4.7 13.1 419 129 C F H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.937 103.9 49.5 -64.2 -53.2 -4.2 -1.7 10.8 420 130 C L H X S+ 0 0 2 -4,-2.3 4,-3.2 1,-0.2 -1,-0.2 0.877 108.1 57.0 -55.6 -33.5 -5.9 0.9 13.0 421 131 C S H X S+ 0 0 63 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.962 106.4 46.8 -65.7 -48.1 -3.8 -0.4 15.9 422 132 C G H X S+ 0 0 25 -4,-2.0 4,-1.7 1,-0.2 5,-0.2 0.928 113.5 50.6 -54.8 -42.0 -0.6 0.3 13.9 423 133 C V H X S+ 0 0 8 -4,-2.9 4,-1.6 1,-0.2 3,-0.3 0.938 108.8 51.5 -59.8 -40.6 -2.2 3.6 13.2 424 134 C A H X S+ 0 0 18 -4,-3.2 4,-0.7 1,-0.2 -2,-0.2 0.922 111.8 47.2 -58.8 -42.6 -2.8 4.0 16.9 425 135 C L H < S+ 0 0 83 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.656 106.7 55.2 -74.4 -26.5 0.8 3.3 17.7 426 136 C A H >< S+ 0 0 5 -4,-1.7 3,-0.5 -3,-0.3 4,-0.3 0.779 104.5 54.5 -81.8 -29.9 2.3 5.6 15.1 427 137 C L H 3< S+ 0 0 22 -4,-1.6 3,-0.5 -5,-0.2 -2,-0.2 0.794 105.5 54.5 -66.7 -28.6 0.4 8.5 16.5 428 138 C A T >X S+ 0 0 27 -4,-0.7 3,-2.9 1,-0.2 4,-0.5 0.635 81.7 96.8 -73.6 -19.1 1.9 7.6 19.9 429 139 C E T <4 S+ 0 0 28 -3,-0.5 3,-0.2 1,-0.3 -1,-0.2 0.796 86.9 40.6 -44.6 -46.2 5.4 7.9 18.3 430 140 C R T 34 S+ 0 0 90 -3,-0.5 -1,-0.3 -4,-0.3 -50,-0.2 0.079 93.0 91.0 -93.8 22.7 6.0 11.4 19.5 431 141 C Y T <4 0 0 14 -3,-2.9 -1,-0.2 1,-0.3 -2,-0.1 0.980 360.0 360.0 -81.9 -54.6 4.5 11.1 22.9 432 142 C R < 0 0 77 -4,-0.5 -1,-0.3 -3,-0.2 -255,-0.1 -0.943 360.0 360.0-149.5 360.0 7.5 10.0 25.1 433 !* 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 0.0 434 1 D V 0 0 87 0, 0.0 2,-0.4 0, 0.0 79,-0.0 0.000 360.0 360.0 360.0 117.5 -26.8 0.2 39.5 435 2 D E + 0 0 163 1,-0.0 2,-0.4 0, 0.0 77,-0.0 -0.640 360.0 171.0 -87.6 131.3 -28.0 3.3 37.6 436 3 D W - 0 0 16 -2,-0.4 5,-0.0 4,-0.0 -1,-0.0 -0.911 20.7-149.7-134.1 105.4 -30.4 2.8 34.7 437 4 D T > - 0 0 85 -2,-0.4 4,-1.4 1,-0.1 0, 0.0 -0.276 28.6-115.3 -64.7 172.6 -32.1 5.7 33.0 438 5 D D H > S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.812 113.4 55.2 -86.6 -33.3 -35.5 4.8 31.5 439 6 D K H > S+ 0 0 121 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.893 106.9 55.6 -60.3 -39.2 -34.6 5.4 27.8 440 7 D E H > S+ 0 0 28 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.939 104.2 52.5 -56.0 -53.9 -31.8 3.0 28.5 441 8 D R H X S+ 0 0 74 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.929 111.9 45.0 -43.8 -56.6 -34.2 0.3 29.7 442 9 D S H >X S+ 0 0 75 -4,-2.0 4,-4.0 2,-0.2 3,-1.0 0.961 110.0 54.1 -60.2 -55.5 -36.3 0.6 26.6 443 10 D I H 3X S+ 0 0 18 -4,-2.6 4,-3.7 1,-0.3 5,-0.3 0.899 111.2 44.9 -42.1 -55.8 -33.4 0.6 24.1 444 11 D I H 3X S+ 0 0 1 -4,-2.7 4,-1.6 1,-0.2 -1,-0.3 0.791 117.1 48.7 -66.5 -20.3 -32.0 -2.6 25.6 445 12 D S H X S+ 0 0 85 -4,-4.0 4,-1.9 1,-0.2 3,-1.2 0.965 115.8 48.8 -49.6 -55.0 -36.2 -2.7 21.9 447 14 D I H 3X S+ 0 0 7 -4,-3.7 4,-1.0 1,-0.3 -1,-0.2 0.930 111.1 47.7 -55.0 -50.4 -32.8 -4.2 20.9 448 15 D F H 3< S+ 0 0 17 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.539 109.6 56.9 -75.1 -4.2 -33.5 -7.5 22.7 449 16 D S H << S+ 0 0 87 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.883 111.5 36.4 -85.6 -47.0 -36.9 -7.8 21.1 450 17 D H H < S+ 0 0 135 -4,-1.9 2,-0.4 -5,-0.2 -2,-0.2 0.603 90.0 114.4 -82.9 -8.9 -35.9 -7.5 17.4 451 18 D M < - 0 0 12 -4,-1.0 2,-1.2 -5,-0.2 3,-0.0 -0.512 61.0-138.8 -89.2 127.0 -32.7 -9.5 17.5 452 19 D D >> - 0 0 89 -2,-0.4 4,-1.3 1,-0.2 3,-0.9 -0.586 15.0-169.3 -75.4 91.1 -32.3 -12.8 15.7 453 20 D Y T 34 S+ 0 0 24 -2,-1.2 4,-0.2 1,-0.3 -1,-0.2 0.715 84.7 55.0 -63.1 -16.1 -30.4 -14.9 18.2 454 21 D D T 34 S+ 0 0 118 3,-0.1 -1,-0.3 2,-0.1 5,-0.1 0.856 116.3 35.2 -86.3 -31.4 -29.9 -17.6 15.6 455 22 D D T <> S+ 0 0 57 -3,-0.9 4,-1.7 2,-0.1 -2,-0.2 0.971 123.1 37.7 -77.1 -76.9 -28.3 -15.2 13.1 456 23 D I H >X S+ 0 0 0 -4,-1.3 4,-1.7 1,-0.2 3,-1.0 0.893 109.6 59.2 -33.1 -79.8 -26.3 -12.8 15.2 457 24 D G H 3> S+ 0 0 1 -5,-0.3 4,-2.1 1,-0.3 5,-0.3 0.726 109.7 41.1 -27.6 -60.0 -25.0 -15.1 17.9 458 25 D P H 3> S+ 0 0 17 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.910 115.7 52.9 -62.3 -40.4 -23.1 -17.5 15.6 459 26 D K H < S+ 0 0 28 -4,-1.3 3,-2.4 -5,-0.2 4,-0.3 -0.597 71.8 178.0-141.2 70.8 -9.2 -12.5 18.3 469 36 D P G > S+ 0 0 14 0, 0.0 3,-0.7 0, 0.0 -4,-0.1 0.604 71.8 72.1 -62.9 -8.8 -7.9 -15.9 17.5 470 37 D W G > S+ 0 0 18 1,-0.2 3,-1.6 2,-0.1 -5,-0.1 0.871 85.7 65.8 -71.9 -27.5 -6.6 -16.4 21.0 471 38 D T G X S+ 0 0 8 -3,-2.4 3,-1.1 -7,-0.4 -1,-0.2 0.712 81.1 82.0 -67.0 -14.9 -10.1 -16.8 22.3 472 39 D Q G X + 0 0 11 -3,-0.7 3,-1.4 -4,-0.3 -1,-0.3 0.504 62.3 94.2 -62.6 -5.7 -10.3 -20.0 20.2 473 40 D R G < S+ 0 0 85 -3,-1.6 -1,-0.3 1,-0.3 3,-0.2 0.594 89.5 42.9 -71.1 -6.7 -8.5 -21.8 23.1 474 41 D H G < S+ 0 0 49 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.387 120.8 41.6-117.5 -1.2 -11.9 -22.9 24.4 475 42 D F S < S+ 0 0 28 -3,-1.4 3,-0.2 -4,-0.1 -1,-0.2 -0.495 79.7 121.5-136.7 59.5 -13.2 -23.8 20.9 476 43 D S > + 0 0 63 -3,-0.2 2,-2.0 1,-0.1 3,-0.6 0.932 69.2 41.8 -83.3 -76.8 -10.3 -25.5 19.4 477 44 D G T 3 S+ 0 0 78 1,-0.3 -1,-0.1 3,-0.1 3,-0.1 0.059 82.3 103.4 -68.8 30.8 -11.2 -29.0 18.3 478 45 D F T 3 S- 0 0 60 -2,-2.0 14,-0.4 1,-0.4 -1,-0.3 0.410 99.8 -56.5 -92.7 1.3 -14.6 -28.0 16.9 479 46 D G S < S- 0 0 40 -3,-0.6 -1,-0.4 11,-0.1 2,-0.4 -0.625 93.4 -26.3 136.3 163.9 -13.4 -28.3 13.3 480 47 D N - 0 0 93 -2,-0.2 7,-0.3 1,-0.2 6,-0.2 -0.171 51.1-178.9 -43.8 94.8 -10.6 -26.8 11.2 481 48 D L + 0 0 25 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.408 69.7 88.5 -81.8 3.5 -10.0 -23.5 13.0 482 49 D Y S S+ 0 0 224 2,-0.0 2,-0.3 5,-0.0 -1,-0.2 -0.262 87.2 65.3 -84.7 44.7 -7.4 -22.9 10.3 483 50 D N > - 0 0 65 -2,-0.4 4,-1.5 1,-0.1 5,-0.1 -0.880 59.3-160.7-170.0 130.0 -10.4 -21.4 8.4 484 51 D A H > S+ 0 0 22 -2,-0.3 4,-3.6 2,-0.2 5,-0.3 0.969 100.4 50.0 -67.8 -62.7 -12.8 -18.5 8.6 485 52 D E H > S+ 0 0 120 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.778 115.9 44.1 -50.9 -36.9 -15.4 -20.0 6.3 486 53 D A H 4 S+ 0 0 31 2,-0.2 -1,-0.2 -6,-0.2 -2,-0.2 0.948 113.5 48.9 -71.4 -55.0 -15.3 -23.2 8.3 487 54 D I H >< S+ 0 0 5 -4,-1.5 3,-2.1 -7,-0.3 -2,-0.2 0.929 110.6 52.1 -47.6 -55.2 -15.4 -21.5 11.7 488 55 D I H 3< S+ 0 0 65 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.894 119.2 37.0 -41.1 -52.2 -18.3 -19.4 10.4 489 56 D G T 3< S+ 0 0 64 -4,-1.3 2,-0.6 -5,-0.3 -1,-0.3 -0.089 86.3 123.7-101.9 27.5 -20.0 -22.6 9.5 490 57 D N <> - 0 0 20 -3,-2.1 4,-2.0 1,-0.2 3,-0.4 -0.869 52.2-151.3 -89.3 123.2 -18.8 -24.7 12.4 491 58 D A H > S+ 0 0 72 -2,-0.6 4,-2.2 1,-0.2 3,-0.3 0.929 93.5 58.3 -48.0 -63.7 -21.8 -26.2 14.2 492 59 D N H > S+ 0 0 81 -14,-0.4 4,-1.6 1,-0.3 -1,-0.2 0.784 111.4 43.3 -34.8 -46.5 -20.1 -26.3 17.6 493 60 D V H > S+ 0 0 0 -3,-0.4 4,-1.7 2,-0.2 -1,-0.3 0.843 106.6 58.3 -80.1 -42.1 -19.5 -22.6 17.4 494 61 D A H X S+ 0 0 32 -4,-2.0 4,-1.1 -3,-0.3 -2,-0.2 0.935 108.2 50.7 -47.5 -50.7 -23.0 -21.6 16.1 495 62 D A H >X S+ 0 0 57 -4,-2.2 4,-1.9 1,-0.2 3,-1.2 0.943 108.2 44.9 -61.1 -60.9 -24.4 -23.2 19.2 496 63 D H H 3X S+ 0 0 36 -4,-1.6 4,-2.7 1,-0.3 -1,-0.2 0.830 107.0 62.8 -59.7 -29.0 -22.4 -21.7 22.0 497 64 D G H 3X S+ 0 0 2 -4,-1.7 4,-1.6 1,-0.2 -1,-0.3 0.896 105.3 45.9 -62.2 -35.2 -22.9 -18.3 20.4 498 65 D I H X S+ 0 0 5 -4,-1.6 4,-1.1 1,-0.2 3,-0.5 0.949 116.0 46.8 -76.1 -43.2 -27.1 -14.5 23.5 502 69 D H H >X S+ 0 0 92 -4,-3.9 4,-1.3 1,-0.2 3,-0.7 0.909 110.5 57.1 -57.0 -37.3 -29.7 -16.3 25.4 503 70 D G H 3< S+ 0 0 12 -4,-3.0 4,-0.5 -5,-0.4 -1,-0.2 0.782 103.4 51.3 -62.9 -29.4 -27.4 -15.9 28.4 504 71 D L H << S+ 0 0 23 -4,-1.3 4,-0.5 -3,-0.5 -1,-0.3 0.699 101.0 65.3 -81.8 -20.7 -27.4 -12.2 28.0 505 72 D D H XX S+ 0 0 65 -4,-1.1 3,-1.4 -3,-0.7 4,-1.3 0.897 90.9 61.7 -61.3 -50.5 -31.2 -12.3 27.9 506 73 D R H 3X S+ 0 0 115 -4,-1.3 4,-1.4 1,-0.3 -1,-0.2 0.807 108.2 44.7 -51.7 -30.7 -31.3 -13.5 31.5 507 74 D G H 34 S+ 0 0 0 -4,-0.5 -1,-0.3 2,-0.2 -2,-0.2 0.669 99.3 69.8 -89.1 -15.1 -29.6 -10.2 32.5 508 75 D V H <4 S+ 0 0 23 -3,-1.4 3,-0.3 -4,-0.5 -2,-0.2 0.783 107.2 39.6 -73.0 -25.1 -31.9 -8.2 30.2 509 76 D K H < S+ 0 0 164 -4,-1.3 2,-3.3 1,-0.2 -2,-0.2 0.930 111.7 53.0 -79.1 -62.0 -34.7 -9.0 32.7 510 77 D N >< + 0 0 74 -4,-1.4 3,-1.8 1,-0.2 -1,-0.2 -0.098 68.7 158.1 -73.8 51.9 -32.9 -8.7 36.0 511 78 D M T 3 + 0 0 15 -2,-3.3 -1,-0.2 -3,-0.3 3,-0.2 0.521 69.7 45.9 -58.9 -5.8 -31.7 -5.2 35.0 512 79 D D T 3 S+ 0 0 92 1,-0.2 -1,-0.3 -3,-0.2 2,-0.1 0.553 118.7 37.0-117.4 -11.8 -31.1 -4.2 38.7 513 80 D N <> + 0 0 100 -3,-1.8 4,-0.9 -6,-0.1 -1,-0.2 -0.561 64.3 144.2-134.9 75.9 -29.3 -7.3 39.9 514 81 D I H > + 0 0 9 -3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.820 68.8 59.4 -78.4 -33.2 -27.0 -8.5 37.1 515 82 D A H >> S+ 0 0 46 2,-0.2 4,-2.8 1,-0.2 3,-0.5 0.985 107.2 41.9 -60.3 -65.7 -24.2 -9.7 39.3 516 83 D A H 3> S+ 0 0 59 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.859 113.7 58.6 -49.4 -38.6 -26.1 -12.2 41.4 517 84 D T H 3< S+ 0 0 22 -4,-0.9 4,-0.4 1,-0.2 3,-0.3 0.945 117.5 28.3 -53.8 -50.2 -27.7 -13.2 38.1 518 85 D Y H S+ 0 0 38 -4,-0.4 4,-2.5 1,-0.3 -2,-0.2 0.846 117.7 51.0 -49.9 -38.1 -22.1 -18.4 35.1 522 89 D S H X S+ 0 0 0 -4,-4.2 4,-1.1 1,-0.2 -1,-0.3 0.910 109.1 47.6 -67.8 -44.5 -19.3 -16.2 36.3 523 90 D T H X S+ 0 0 47 -4,-3.4 4,-0.9 -5,-0.3 5,-0.4 0.741 114.1 53.6 -68.4 -17.7 -18.1 -18.8 38.8 524 91 D L H X>S+ 0 0 69 -4,-1.9 4,-2.6 -5,-0.2 5,-0.9 0.975 101.8 50.3 -77.8 -58.5 -18.4 -21.3 36.0 525 92 D H H <5S+ 0 0 30 -4,-2.5 6,-2.0 3,-0.2 -2,-0.1 0.766 117.3 43.3 -58.2 -28.2 -16.3 -19.8 33.2 526 93 D S H X5S+ 0 0 10 -4,-1.1 4,-1.6 4,-0.3 -1,-0.2 0.973 123.7 26.5 -78.6 -74.1 -13.4 -19.3 35.6 527 94 D E H <5S+ 0 0 132 -4,-0.9 -2,-0.2 50,-0.3 -3,-0.2 0.842 130.2 42.6 -63.5 -33.2 -13.0 -22.4 37.8 528 95 D K T <5S+ 0 0 137 -4,-2.6 -3,-0.2 -5,-0.4 -1,-0.1 0.994 134.9 8.0 -79.4 -62.5 -14.6 -24.7 35.2 529 96 D L T 4 - 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