==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 28-MAR-02 1LA6 . COMPND 2 MOLECULE: HEMOGLOBIN ALPHA-1 CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TREMATOMUS NEWNESI; . AUTHOR A.RICCIO,L.VITAGLIANO,G.DI PRISCO,A.ZAGARI,L.MAZZARELLA . 274 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13864.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 79.9 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 . 6 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 59.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 2 0 0 0 1 1 0 0 1 0 1 3 0 0 1 4 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 0 148 0, 0.0 2,-0.3 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 153.6 4.9 -19.0 -4.5 2 2 A L - 0 0 30 72,-0.2 2,-0.1 126,-0.1 123,-0.0 -0.600 360.0-148.8 -79.2 133.0 8.6 -19.9 -4.6 3 3 A S > - 0 0 54 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.376 33.1-101.7 -87.8 174.2 9.8 -22.0 -7.6 4 4 A D H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.881 127.0 54.7 -65.7 -33.5 12.7 -24.4 -7.4 5 5 A K H > S+ 0 0 136 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 108.7 48.9 -64.5 -38.7 14.8 -21.7 -9.1 6 6 A D H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.921 110.8 48.9 -66.6 -44.6 13.8 -19.3 -6.3 7 7 A K H X S+ 0 0 29 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.889 111.7 49.5 -63.2 -39.2 14.6 -21.8 -3.5 8 8 A A H X S+ 0 0 51 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.923 110.5 50.6 -66.1 -43.3 18.0 -22.5 -5.0 9 9 A A H X S+ 0 0 28 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.903 111.9 46.5 -62.1 -43.5 18.8 -18.8 -5.3 10 10 A V H X S+ 0 0 4 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.897 114.5 47.0 -67.4 -40.4 17.9 -18.1 -1.7 11 11 A R H X S+ 0 0 114 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.933 114.0 48.0 -67.4 -42.2 19.9 -21.0 -0.4 12 12 A A H X S+ 0 0 46 -4,-3.0 4,-1.3 2,-0.2 -2,-0.2 0.922 115.5 44.0 -63.4 -44.9 22.9 -20.1 -2.6 13 13 A L H X S+ 0 0 9 -4,-2.6 4,-2.6 -5,-0.2 3,-0.5 0.932 113.1 50.7 -66.4 -45.1 22.7 -16.4 -1.5 14 14 A W H X S+ 0 0 51 -4,-2.8 4,-2.6 1,-0.3 -1,-0.2 0.882 105.1 58.7 -60.2 -35.6 22.2 -17.4 2.2 15 15 A S H < S+ 0 0 97 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.3 0.877 112.6 40.2 -59.1 -39.0 25.2 -19.7 1.8 16 16 A K H < S+ 0 0 102 -4,-1.3 3,-0.3 -3,-0.5 -2,-0.2 0.884 126.0 30.0 -79.6 -42.1 27.3 -16.7 0.9 17 17 A I H >< S+ 0 0 2 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.651 91.6 92.3 -95.5 -17.0 26.0 -14.0 3.2 18 18 A G G >< S+ 0 0 20 -4,-2.6 3,-1.9 -5,-0.3 4,-0.2 0.775 76.3 68.0 -47.4 -33.9 24.9 -16.1 6.2 19 19 A K G 3 S+ 0 0 166 1,-0.3 3,-0.3 -4,-0.3 -1,-0.3 0.781 103.2 44.5 -58.7 -29.7 28.4 -15.6 7.8 20 20 A S G X> S+ 0 0 38 -3,-2.2 4,-2.2 1,-0.2 3,-0.6 0.089 76.4 121.2-102.7 23.4 27.6 -11.9 8.4 21 21 A S H <> S+ 0 0 24 -3,-1.9 4,-2.7 1,-0.2 5,-0.2 0.827 70.3 55.7 -57.6 -35.8 24.1 -12.4 9.7 22 22 A D H 3> S+ 0 0 86 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.877 111.2 44.7 -63.0 -42.0 24.8 -10.7 13.0 23 23 A A H <> S+ 0 0 45 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.872 112.5 51.3 -69.4 -39.8 25.9 -7.6 11.2 24 24 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.928 111.4 48.0 -64.3 -44.8 23.0 -7.7 8.8 25 25 A G H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.931 112.7 47.2 -62.6 -46.6 20.5 -8.0 11.6 26 26 A N H X S+ 0 0 25 -4,-2.0 4,-2.3 -5,-0.2 26,-0.3 0.957 115.9 45.0 -60.1 -48.1 22.0 -5.2 13.6 27 27 A D H X S+ 0 0 30 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.918 112.7 50.3 -64.0 -44.2 22.1 -2.9 10.5 28 28 A A H X S+ 0 0 2 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.884 113.6 44.5 -63.8 -40.8 18.6 -3.7 9.3 29 29 A L H X S+ 0 0 5 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.900 111.1 55.0 -70.6 -39.8 17.0 -3.1 12.7 30 30 A S H X S+ 0 0 8 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.959 110.7 45.1 -56.2 -52.5 19.0 0.1 13.1 31 31 A R H X>S+ 0 0 6 -4,-2.6 4,-3.3 1,-0.2 5,-0.5 0.892 110.3 52.7 -58.9 -45.8 17.7 1.5 9.8 32 32 A M H X5S+ 0 0 11 -4,-2.0 4,-2.3 1,-0.2 7,-0.3 0.939 110.9 48.8 -57.7 -43.7 14.1 0.5 10.4 33 33 A I H <5S+ 0 0 3 -4,-2.4 7,-0.3 2,-0.2 -2,-0.2 0.914 119.9 36.5 -62.3 -44.0 14.3 2.3 13.8 34 34 A V H <5S+ 0 0 55 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.943 124.2 38.0 -76.2 -49.1 15.8 5.5 12.3 35 35 A V H <5S+ 0 0 23 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.802 125.5 36.4 -75.4 -30.2 14.0 5.6 8.9 36 36 A Y ><< + 0 0 41 -4,-2.3 3,-2.4 -5,-0.5 4,-0.3 -0.586 69.1 179.3-128.2 74.8 10.6 4.4 10.1 37 37 A P G > S+ 0 0 75 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.631 72.0 72.9 -46.9 -29.2 10.1 6.0 13.6 38 38 A Q G > S+ 0 0 121 1,-0.3 3,-0.6 2,-0.2 4,-0.2 0.762 89.8 61.7 -64.7 -19.9 6.7 4.5 14.1 39 39 A T G X S+ 0 0 1 -3,-2.4 3,-1.8 -7,-0.3 4,-0.4 0.773 83.5 80.4 -75.7 -22.7 8.3 1.1 14.6 40 40 A K G X S+ 0 0 105 -3,-1.2 3,-2.2 -4,-0.3 4,-0.2 0.842 76.9 70.9 -50.9 -39.7 10.2 2.4 17.6 41 41 A I G X S+ 0 0 113 -3,-0.6 3,-1.1 -4,-0.4 -1,-0.3 0.794 89.8 60.9 -52.6 -28.5 7.2 1.9 19.9 42 42 A Y G < S+ 0 0 68 -3,-1.8 -1,-0.3 1,-0.3 3,-0.2 0.735 110.6 39.5 -72.8 -20.8 7.6 -1.9 19.7 43 43 A F G X S+ 0 0 30 -3,-2.2 3,-2.1 -4,-0.4 -1,-0.3 0.156 78.8 115.7-114.5 18.7 11.0 -1.7 21.3 44 44 A S T < + 0 0 80 -3,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.689 65.8 68.7 -61.0 -23.5 10.2 1.0 23.8 45 45 A H T 3 S+ 0 0 139 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.502 84.0 88.2 -75.7 -4.7 10.8 -1.4 26.7 46 46 A W S < S- 0 0 44 -3,-2.1 3,-0.2 1,-0.1 -3,-0.0 -0.759 74.9-141.4 -92.8 145.3 14.5 -1.5 25.8 47 47 A P S S+ 0 0 124 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.916 91.7 40.8 -71.7 -39.3 16.7 1.2 27.4 48 48 A D + 0 0 59 1,-0.1 8,-0.4 -3,-0.1 7,-0.3 -0.892 55.6 158.8-117.3 104.6 18.9 1.8 24.3 49 49 A V + 0 0 29 -2,-0.6 -1,-0.1 -3,-0.2 -6,-0.1 -0.325 41.4 115.0-115.1 42.7 17.0 1.9 21.0 50 50 A T S > S- 0 0 74 1,-0.1 3,-1.9 -17,-0.0 6,-0.3 -0.775 80.3 -73.4-107.3 156.5 19.7 3.8 19.1 51 51 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -24,-0.1 -0.159 117.2 9.6 -50.5 140.3 21.7 2.3 16.2 52 52 A G T 3 S+ 0 0 31 -26,-0.3 -25,-0.1 1,-0.2 -26,-0.0 0.527 90.8 152.2 66.7 6.2 24.4 -0.2 17.2 53 53 A S <> - 0 0 4 -3,-1.9 4,-2.5 1,-0.1 5,-0.2 -0.223 59.9-110.6 -63.2 158.8 23.1 -0.4 20.7 54 54 A P H > S+ 0 0 92 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.850 117.9 52.1 -61.6 -33.8 23.6 -3.7 22.7 55 55 A N H > S+ 0 0 43 -7,-0.3 4,-2.4 2,-0.2 5,-0.2 0.917 112.2 44.6 -68.4 -44.7 19.8 -4.4 22.6 56 56 A I H > S+ 0 0 1 -8,-0.4 4,-2.5 -6,-0.3 -1,-0.2 0.902 111.7 51.8 -67.8 -40.8 19.6 -3.9 18.8 57 57 A K H X S+ 0 0 101 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.949 112.2 48.2 -60.4 -45.1 22.7 -5.9 18.1 58 58 A A H >X S+ 0 0 56 -4,-2.1 4,-1.3 1,-0.2 3,-0.8 0.928 113.2 45.8 -60.7 -48.5 21.3 -8.8 20.2 59 59 A H H 3X S+ 0 0 43 -4,-2.4 4,-2.8 1,-0.3 -1,-0.2 0.828 102.3 64.9 -66.3 -33.1 17.9 -8.7 18.5 60 60 A G H 3X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.3 0.811 101.2 52.5 -58.0 -31.1 19.5 -8.5 15.1 61 61 A K H < S+ 0 0 13 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.941 111.9 45.4 -61.8 -44.2 15.5 -20.6 4.6 72 72 A S H 3< S+ 0 0 82 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.829 118.3 42.8 -69.4 -30.3 15.7 -24.1 6.1 73 73 A K T >< S+ 0 0 107 -4,-2.1 3,-2.6 -5,-0.2 7,-0.3 0.136 78.3 128.5 -99.2 20.6 11.8 -24.4 6.1 74 74 A I T < + 0 0 5 -3,-1.3 3,-0.5 1,-0.3 -1,-0.2 0.769 61.9 63.6 -48.7 -31.0 11.7 -22.8 2.6 75 75 A D T 3 S+ 0 0 105 -3,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.697 121.9 15.7 -71.8 -16.7 9.5 -25.6 1.3 76 76 A D <> + 0 0 79 -3,-2.6 4,-2.2 -6,-0.2 -1,-0.3 -0.549 63.8 169.3-157.3 86.6 6.6 -24.7 3.7 77 77 A L H > S+ 0 0 19 -3,-0.5 4,-2.8 1,-0.2 5,-0.1 0.860 76.7 62.7 -69.8 -34.5 6.9 -21.3 5.3 78 78 A K H 4 S+ 0 0 96 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.931 113.6 33.3 -56.4 -50.8 3.4 -21.4 6.7 79 79 A T H >4 S+ 0 0 90 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.898 118.3 55.5 -72.7 -41.0 4.1 -24.4 8.9 80 80 A G H 3< S+ 0 0 21 -4,-2.2 3,-0.2 -7,-0.3 -2,-0.2 0.847 116.6 33.0 -62.2 -37.2 7.7 -23.4 9.5 81 81 A L T 3X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.211 82.6 113.0-107.5 16.7 6.9 -19.9 10.9 82 82 A M H <> S+ 0 0 56 -3,-0.9 4,-2.5 1,-0.2 5,-0.2 0.862 78.9 49.1 -54.3 -43.9 3.6 -20.7 12.6 83 83 A E H > S+ 0 0 167 -4,-0.3 4,-2.0 -3,-0.2 -1,-0.2 0.861 111.4 49.1 -66.9 -37.2 5.1 -20.1 16.1 84 84 A L H > S+ 0 0 50 2,-0.2 4,-2.7 -3,-0.2 -2,-0.2 0.861 110.6 51.6 -69.8 -34.3 6.6 -16.8 15.1 85 85 A S H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.959 110.8 46.9 -65.5 -49.3 3.3 -15.8 13.5 86 86 A E H X>S+ 0 0 76 -4,-2.5 4,-2.6 1,-0.2 5,-0.9 0.888 113.3 50.9 -57.8 -40.7 1.4 -16.6 16.7 87 87 A Q H <>S+ 0 0 79 -4,-2.0 5,-3.2 3,-0.2 6,-0.5 0.942 113.8 41.7 -65.6 -46.7 4.0 -14.7 18.7 88 88 A H H <5S+ 0 0 44 -4,-2.7 6,-2.6 3,-0.2 5,-0.5 0.907 120.7 43.3 -70.2 -36.6 3.9 -11.6 16.6 89 89 A A H <5S+ 0 0 0 -4,-3.0 -2,-0.2 4,-0.2 -3,-0.2 0.916 131.1 15.6 -74.6 -45.1 0.1 -11.6 16.3 90 90 A Y T <5S+ 0 0 103 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.910 131.3 32.8-100.0 -51.0 -0.8 -12.4 19.9 91 91 A K T - 0 0 79 -2,-0.5 3,-2.3 1,-0.2 4,-0.2 -0.447 23.8-135.2 -60.2 122.6 0.9 -4.5 13.4 96 96 A P G > S+ 0 0 54 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.625 96.6 75.8 -57.2 -13.9 1.3 -6.7 10.3 97 97 A S G 3 S+ 0 0 49 1,-0.2 4,-0.4 2,-0.1 3,-0.4 0.742 85.8 65.8 -72.2 -16.9 1.9 -3.7 8.1 98 98 A N G X> S+ 0 0 13 -3,-2.3 4,-1.8 1,-0.2 3,-0.5 0.684 79.9 76.8 -77.7 -19.2 5.4 -3.5 9.5 99 99 A F H <> S+ 0 0 21 -3,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.916 93.2 52.5 -58.8 -42.4 6.7 -6.8 8.1 100 100 A K H 3> S+ 0 0 143 -4,-0.5 4,-1.6 -3,-0.4 -1,-0.2 0.782 106.4 56.2 -64.1 -25.6 7.1 -5.2 4.7 101 101 A I H <> S+ 0 0 22 -3,-0.5 4,-1.9 -4,-0.4 -1,-0.2 0.953 108.1 43.8 -71.0 -51.6 9.1 -2.4 6.2 102 102 A L H X S+ 0 0 30 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.889 109.7 58.2 -61.0 -40.7 11.8 -4.6 7.8 103 103 A N H X S+ 0 0 19 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.924 105.8 49.6 -56.3 -44.4 12.0 -6.7 4.7 104 104 A H H X S+ 0 0 16 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.906 110.1 49.9 -61.1 -43.5 12.9 -3.5 2.8 105 105 A C H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.891 107.6 55.0 -63.7 -36.9 15.6 -2.6 5.3 106 106 A I H X S+ 0 0 6 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.928 108.2 49.0 -61.2 -43.8 17.0 -6.1 5.1 107 107 A L H X S+ 0 0 4 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.915 111.0 50.0 -62.8 -41.8 17.3 -5.7 1.3 108 108 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.954 111.9 47.5 -61.2 -49.9 19.1 -2.3 1.7 109 109 A V H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 5,-0.2 0.933 111.4 49.6 -59.0 -47.3 21.6 -3.8 4.2 110 110 A I H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.905 110.8 52.2 -59.7 -37.6 22.3 -6.8 2.1 111 111 A S H < S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.882 108.2 49.7 -66.3 -39.3 22.9 -4.4 -0.8 112 112 A T H < S+ 0 0 6 -4,-2.3 -1,-0.2 1,-0.2 141,-0.2 0.836 120.7 35.7 -70.3 -30.2 25.3 -2.2 1.1 113 113 A M H < S+ 0 0 42 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.740 127.5 28.6 -95.4 -27.2 27.4 -5.3 2.2 114 114 A F X + 0 0 17 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 -0.480 63.4 152.8-134.3 62.1 27.3 -7.7 -0.7 115 115 A P T 4 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.869 76.3 52.5 -60.6 -35.7 26.9 -5.5 -3.8 116 116 A K T 4 S+ 0 0 177 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.899 117.8 35.4 -69.0 -39.3 28.7 -8.1 -6.0 117 117 A E T 4 S+ 0 0 69 1,-0.2 2,-2.3 2,-0.1 -1,-0.2 0.770 97.6 80.6 -86.9 -28.5 26.4 -11.0 -4.9 118 118 A F < + 0 0 2 -4,-2.7 -1,-0.2 -8,-0.2 131,-0.1 -0.422 67.4 166.2 -80.6 68.3 23.1 -9.1 -4.5 119 119 A T > - 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0 0 19 -2,-0.8 2,-0.2 4,-0.0 3,-0.0 -0.845 18.1-140.9-106.2 145.1 13.2 20.2 5.0 147 4 B T > - 0 0 71 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.638 25.7-115.3 -98.6 160.6 16.0 20.6 7.4 148 5 B D H > S+ 0 0 137 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.897 120.0 54.6 -59.6 -37.5 19.3 22.2 6.5 149 6 B K H > S+ 0 0 121 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.911 107.0 48.8 -62.6 -43.3 20.8 18.8 7.2 150 7 B E H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.883 110.3 51.6 -63.8 -40.1 18.5 17.0 4.8 151 8 B R H X S+ 0 0 81 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.894 112.3 46.5 -62.6 -41.3 19.3 19.6 2.1 152 9 B S H X S+ 0 0 80 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.927 113.3 47.7 -67.7 -47.5 23.0 19.0 2.6 153 10 B I H X S+ 0 0 25 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.966 114.8 45.1 -58.2 -54.6 22.7 15.2 2.6 154 11 B I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.889 114.6 49.5 -58.3 -40.6 20.5 15.2 -0.6 155 12 B S H X S+ 0 0 64 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.907 112.3 48.2 -64.1 -42.4 22.9 17.7 -2.2 156 13 B D H X S+ 0 0 87 -4,-2.8 4,-0.8 2,-0.2 -2,-0.2 0.914 110.1 51.6 -63.8 -47.4 25.9 15.5 -1.2 157 14 B I H >< S+ 0 0 8 -4,-3.0 3,-0.9 1,-0.2 -2,-0.2 0.938 112.1 46.2 -56.0 -51.7 24.3 12.3 -2.6 158 15 B F H >< S+ 0 0 9 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.809 108.4 55.1 -64.4 -30.9 23.5 13.9 -5.9 159 16 B S H 3< S+ 0 0 85 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.615 114.0 41.0 -79.4 -10.9 26.9 15.5 -6.3 160 17 B H T << S+ 0 0 142 -3,-0.9 2,-0.5 -4,-0.8 -1,-0.2 0.158 94.7 103.0-118.0 17.1 28.6 12.1 -5.9 161 18 B M < - 0 0 17 -3,-0.8 2,-0.9 -5,-0.1 3,-0.1 -0.875 61.9-148.0-106.2 128.6 26.1 10.2 -8.0 162 19 B D >> - 0 0 84 -2,-0.5 4,-2.7 1,-0.2 3,-1.5 -0.864 8.9-161.8 -94.9 104.2 27.0 9.1 -11.5 163 20 B Y H 3> S+ 0 0 32 -2,-0.9 4,-1.8 1,-0.3 38,-0.2 0.808 87.5 58.5 -57.4 -33.9 23.7 9.2 -13.4 164 21 B D H 34 S+ 0 0 105 2,-0.2 -1,-0.3 3,-0.2 34,-0.1 0.665 115.1 37.4 -71.3 -17.0 24.9 7.1 -16.2 165 22 B D H <> S+ 0 0 43 -3,-1.5 4,-1.4 3,-0.1 -2,-0.2 0.856 122.7 38.7 -97.3 -51.9 25.7 4.3 -13.7 166 23 B I H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.892 110.8 56.9 -68.7 -46.1 22.8 4.6 -11.3 167 24 B G H X S+ 0 0 1 -4,-1.8 4,-2.1 -5,-0.3 5,-0.2 0.949 111.0 40.2 -51.9 -60.1 20.0 5.3 -13.7 168 25 B P H > S+ 0 0 20 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.884 116.3 51.0 -57.6 -43.6 20.4 2.2 -15.9 169 26 B K H X S+ 0 0 112 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.891 110.7 47.8 -64.1 -41.5 21.1 -0.1 -13.0 170 27 B A H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.899 115.6 43.4 -67.5 -44.5 18.0 1.1 -11.0 171 28 B L H X S+ 0 0 7 -4,-2.1 4,-2.3 -5,-0.3 5,-0.2 0.936 113.6 52.0 -67.6 -43.8 15.6 0.7 -14.0 172 29 B S H X S+ 0 0 7 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.923 110.6 48.5 -56.0 -48.0 17.1 -2.6 -15.0 173 30 B R H X S+ 0 0 28 -4,-2.2 4,-3.1 1,-0.2 3,-0.5 0.921 109.1 53.4 -60.7 -42.1 16.7 -4.0 -11.5 174 31 B C H X S+ 0 0 4 -4,-2.0 4,-2.5 1,-0.3 7,-0.3 0.890 107.6 50.0 -61.4 -40.9 13.1 -2.7 -11.4 175 32 B L H < S+ 0 0 5 -4,-2.3 -1,-0.3 1,-0.2 7,-0.2 0.760 116.1 43.3 -70.0 -25.3 12.2 -4.5 -14.7 176 33 B V H < S+ 0 0 25 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.871 119.0 40.6 -86.1 -40.4 13.7 -7.8 -13.3 177 34 B V H < S+ 0 0 6 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.863 130.7 27.2 -77.1 -36.1 12.3 -7.6 -9.8 178 35 B Y S >< S- 0 0 26 -4,-2.5 3,-2.1 -5,-0.3 -1,-0.3 -0.668 76.6-178.2-127.5 74.5 8.8 -6.3 -10.8 179 36 B P G > S+ 0 0 58 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.589 70.5 76.0 -49.1 -24.4 8.5 -7.8 -14.4 180 37 B W G 3 S+ 0 0 141 1,-0.3 3,-0.5 2,-0.2 4,-0.1 0.600 85.9 62.9 -68.9 -11.3 5.1 -6.3 -15.1 181 38 B T G X S+ 0 0 7 -3,-2.1 3,-0.9 -7,-0.3 -1,-0.3 0.470 82.4 80.8 -87.9 -5.4 6.8 -2.9 -15.5 182 39 B Q G X S+ 0 0 85 -3,-1.7 3,-1.7 -7,-0.2 -1,-0.2 0.755 75.9 75.5 -67.8 -24.5 8.7 -4.4 -18.5 183 40 B R G 3 S+ 0 0 176 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.1 0.786 84.9 60.8 -59.4 -29.5 5.5 -3.8 -20.5 184 41 B Y G < 0 0 61 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.628 360.0 360.0 -73.9 -13.6 6.2 -0.0 -20.7 185 42 B F < 0 0 106 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.138 360.0 360.0-116.4 360.0 9.4 -0.8 -22.6 186 ! 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 0.0 187 54 B I > 0 0 71 0, 0.0 3,-0.6 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 -39.2 17.0 -5.9 -19.9 188 55 B M T 3 + 0 0 105 1,-0.2 -16,-0.1 -16,-0.1 -15,-0.1 0.927 360.0 39.5 -63.4 -46.0 20.5 -5.0 -18.6 189 56 B S T 3 S+ 0 0 119 -17,-0.1 2,-0.7 4,-0.0 -1,-0.2 0.345 83.1 119.2 -88.6 4.4 21.9 -4.3 -22.0 190 57 B N <> - 0 0 63 -3,-0.6 4,-2.2 1,-0.2 3,-0.3 -0.624 50.7-157.2 -77.6 115.4 18.9 -2.5 -23.6 191 58 B A H > S+ 0 0 76 -2,-0.7 4,-2.7 1,-0.2 -1,-0.2 0.809 92.0 57.4 -60.5 -31.5 19.9 1.0 -24.5 192 59 B N H > S+ 0 0 118 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 108.4 45.9 -67.6 -40.9 16.3 2.3 -24.4 193 60 B V H > S+ 0 0 5 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.913 113.2 50.8 -65.9 -42.2 16.0 1.1 -20.8 194 61 B A H X S+ 0 0 28 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.913 108.9 52.3 -60.5 -43.8 19.4 2.7 -20.0 195 62 B A H X S+ 0 0 45 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.922 112.0 43.0 -60.2 -50.8 18.3 6.0 -21.6 196 63 B H H X S+ 0 0 47 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.846 109.4 59.8 -66.3 -31.1 15.1 6.3 -19.6 197 64 B G H X S+ 0 0 1 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.921 107.4 45.3 -60.9 -44.0 17.0 5.2 -16.5 198 65 B I H X S+ 0 0 38 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.926 109.7 55.7 -64.9 -43.8 19.3 8.3 -17.0 199 66 B K H X S+ 0 0 141 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.843 102.6 56.9 -57.8 -37.7 16.2 10.5 -17.6 200 67 B V H X S+ 0 0 30 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.953 108.7 44.7 -60.0 -49.4 14.7 9.4 -14.3 201 68 B L H X S+ 0 0 2 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.897 112.1 52.4 -64.0 -37.2 17.8 10.6 -12.3 202 69 B H H X S+ 0 0 98 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.824 107.7 53.1 -66.6 -27.8 17.8 13.8 -14.3 203 70 B G H X S+ 0 0 10 -4,-1.8 4,-0.8 -5,-0.2 -1,-0.2 0.827 108.7 48.3 -73.6 -32.1 14.2 14.2 -13.4 204 71 B L H >X S+ 0 0 9 -4,-1.7 4,-1.8 2,-0.2 3,-0.5 0.872 103.2 62.9 -72.0 -38.6 15.1 13.8 -9.7 205 72 B D H 3X S+ 0 0 27 -4,-2.3 4,-1.9 1,-0.3 3,-0.3 0.906 98.2 56.3 -50.7 -46.4 17.9 16.3 -10.2 206 73 B R H 3X S+ 0 0 98 -4,-1.4 4,-0.9 1,-0.2 -1,-0.3 0.862 109.4 45.1 -55.5 -41.8 15.2 18.9 -11.1 207 74 B G H << S+ 0 0 0 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.758 108.4 57.1 -75.2 -27.2 13.5 18.3 -7.7 208 75 B M H >< S+ 0 0 34 -4,-1.8 3,-0.6 -3,-0.3 -2,-0.2 0.840 105.2 52.7 -70.7 -32.9 16.8 18.4 -5.9 209 76 B K H 3< S+ 0 0 150 -4,-1.9 2,-0.2 1,-0.3 -2,-0.2 0.790 122.6 27.2 -74.6 -27.8 17.4 21.9 -7.2 210 77 B N T >< S+ 0 0 76 -4,-0.9 3,-0.7 -5,-0.2 -1,-0.3 -0.642 70.2 163.0-136.1 73.4 14.1 23.3 -6.1 211 78 B M G X S+ 0 0 10 -3,-0.6 3,-0.6 1,-0.2 4,-0.1 0.653 72.0 61.2 -66.7 -18.8 13.2 21.2 -3.0 212 79 B D G 3 S+ 0 0 97 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 0.796 108.5 41.5 -81.3 -25.2 10.6 23.7 -1.8 213 80 B N G X> S+ 0 0 75 -3,-0.7 4,-1.7 1,-0.2 3,-0.6 0.040 71.2 132.9-109.1 25.8 8.5 23.4 -5.0 214 81 B I H <> S+ 0 0 9 -3,-0.6 4,-0.6 1,-0.2 3,-0.3 0.851 71.0 54.6 -46.5 -41.0 8.7 19.6 -5.4 215 82 B A H >4 S+ 0 0 54 -3,-0.2 3,-0.7 1,-0.2 -1,-0.2 0.922 113.8 37.7 -61.2 -47.6 4.9 19.4 -6.0 216 83 B D H X4 S+ 0 0 113 -3,-0.6 3,-0.7 1,-0.2 4,-0.2 0.616 103.0 72.6 -81.0 -14.5 4.7 21.9 -8.8 217 84 B A H 3< S+ 0 0 24 -4,-1.7 -1,-0.2 -3,-0.3 4,-0.2 0.694 98.4 47.7 -74.5 -17.4 8.0 20.9 -10.5 218 85 B Y T S+ 0 0 68 -3,-0.7 4,-2.0 1,-0.2 5,-0.2 0.908 82.9 48.0 -52.0 -49.3 3.2 18.7 -13.3 220 87 B D H > S+ 0 0 93 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.914 118.3 40.3 -59.9 -43.6 4.4 18.1 -16.9 221 88 B L H > S+ 0 0 36 2,-0.2 4,-2.5 -4,-0.2 5,-0.3 0.830 109.6 58.2 -74.3 -36.2 5.8 14.6 -16.0 222 89 B S H X S+ 0 0 10 -4,-3.3 4,-1.7 1,-0.2 5,-0.2 0.937 112.6 41.9 -59.5 -45.4 2.9 13.6 -13.8 223 90 B T H X>S+ 0 0 83 -4,-2.0 4,-1.5 -5,-0.3 5,-1.2 0.874 112.5 54.0 -70.6 -39.9 0.5 14.2 -16.7 224 91 B L H X>S+ 0 0 61 -4,-1.7 5,-3.0 -5,-0.2 4,-0.9 0.982 114.3 39.2 -58.6 -58.8 2.9 12.6 -19.3 225 92 B H H <5S+ 0 0 30 -4,-2.5 6,-2.8 3,-0.2 5,-0.3 0.834 125.2 41.2 -60.9 -34.3 3.3 9.3 -17.4 226 93 B S H X5S+ 0 0 70 -4,-1.7 4,-1.0 -5,-0.3 -3,-0.2 0.983 126.3 22.9 -77.2 -75.2 -0.4 9.3 -16.4 227 94 B E H <5S+ 0 0 131 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.1 0.915 137.1 27.4 -64.3 -46.0 -2.5 10.5 -19.4 228 95 B K T < - 0 0 83 -2,-0.4 3,-1.6 1,-0.1 4,-0.2 -0.501 21.4-128.5 -64.5 133.1 0.1 2.7 -12.9 233 100 B P T >> S+ 0 0 77 0, 0.0 3,-1.9 0, 0.0 4,-0.7 0.770 102.7 69.8 -52.4 -35.0 1.0 4.9 -10.0 234 101 B D H >> S+ 0 0 96 1,-0.3 4,-1.3 2,-0.2 3,-0.6 0.818 88.6 67.6 -58.4 -26.3 2.1 2.0 -7.8 235 102 B N H <> S+ 0 0 14 -3,-1.6 4,-2.1 1,-0.2 -1,-0.3 0.690 86.8 65.7 -69.5 -17.5 5.0 1.5 -10.1 236 103 B F H <> S+ 0 0 26 -3,-1.9 4,-2.2 -4,-0.2 -1,-0.2 0.892 102.8 47.8 -71.3 -36.1 6.6 4.8 -9.0 237 104 B K H < S- 0 0 55 -4,-2.7 3,-2.1 1,-0.2 -2,-0.2 0.655 84.7-179.7 -77.3 -20.6 27.7 4.0 -1.5 252 119 B G G >< S- 0 0 16 -4,-1.7 3,-2.1 1,-0.3 -1,-0.2 -0.217 70.1 -2.2 56.1-133.6 28.2 0.9 0.7 253 120 B H G 3 S+ 0 0 135 1,-0.3 -1,-0.3 -141,-0.2 -2,-0.1 0.671 125.6 71.0 -66.3 -12.6 28.7 1.9 4.4 254 121 B A G < S+ 0 0 63 -3,-2.1 2,-1.9 1,-0.2 -1,-0.3 0.634 77.6 84.6 -75.6 -16.0 28.5 5.6 3.5 255 122 B F S < S- 0 0 0 -3,-2.1 -1,-0.2 -7,-0.2 -143,-0.1 -0.566 73.4-179.9 -86.1 71.5 24.8 5.0 2.9 256 123 B T > - 0 0 63 -2,-1.9 4,-2.8 1,-0.1 5,-0.2 -0.154 44.3-101.8 -68.1 169.6 24.0 5.4 6.6 257 124 B A H > S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.909 125.2 52.2 -59.0 -41.7 20.5 5.2 8.0 258 125 B E H > S+ 0 0 93 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.864 109.8 48.4 -63.0 -38.5 20.3 9.0 8.2 259 126 B T H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.918 111.5 50.4 -67.4 -42.7 21.3 9.2 4.5 260 127 B Q H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.903 109.1 52.9 -60.9 -43.4 18.7 6.6 3.7 261 128 B G H X S+ 0 0 21 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.953 110.6 44.1 -58.4 -52.8 16.1 8.6 5.6 262 129 B A H X S+ 0 0 5 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.922 115.9 49.0 -58.9 -45.1 16.7 11.9 3.8 263 130 B F H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.904 110.8 48.8 -63.5 -42.9 16.8 10.1 0.5 264 131 B Q H X S+ 0 0 23 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.919 111.2 50.4 -65.9 -38.5 13.6 8.1 1.1 265 132 B K H X S+ 0 0 73 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.924 110.7 50.8 -63.6 -41.0 11.8 11.3 2.2 266 133 B F H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.946 113.4 43.8 -61.2 -49.3 13.0 13.0 -1.0 267 134 B L H X S+ 0 0 4 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.866 109.6 56.4 -66.1 -34.5 11.8 10.2 -3.2 268 135 B A H X S+ 0 0 53 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.936 108.1 49.4 -62.5 -41.1 8.5 10.0 -1.3 269 136 B A H X S+ 0 0 19 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.883 112.9 46.1 -64.2 -41.4 7.9 13.7 -2.1 270 137 B V H X S+ 0 0 7 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.929 110.4 53.0 -68.5 -44.0 8.7 13.1 -5.8 271 138 B V H X S+ 0 0 33 -4,-3.1 4,-1.6 2,-0.2 -2,-0.2 0.925 109.6 49.0 -57.3 -45.1 6.5 10.0 -6.0 272 139 B S H >X S+ 0 0 84 -4,-2.3 4,-1.5 1,-0.2 3,-0.6 0.949 108.9 52.3 -60.1 -47.9 3.6 12.0 -4.6 273 140 B A H 3< S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.840 109.5 51.5 -57.6 -32.7 4.2 14.8 -7.0 274 141 B L H 3< S+ 0 0 25 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.788 113.4 41.7 -76.8 -28.1 4.1 12.2 -9.8 275 142 B G H << 0 0 51 -4,-1.6 -1,-0.2 -3,-0.6 -2,-0.2 0.564 360.0 360.0 -92.5 -8.1 0.8 10.7 -8.8 276 143 B K < 0 0 120 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.1 0.790 360.0 360.0 -41.4 360.0 -0.6 14.1 -8.1