==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 30-AUG-10 3OO5 . COMPND 2 MOLECULE: HEMOGLOBIN SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.YI,L.M.THORMAS,G.B.RICHTER-ADDO . 283 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13910.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 76.7 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 . 9 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 57.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 0 1 1 0 0 0 2 0 1 1 0 1 2 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A V 0 0 175 0, 0.0 2,-0.5 0, 0.0 130,-0.0 0.000 360.0 360.0 360.0 112.6 8.7 19.3 2.1 2 2 A L - 0 0 20 71,-0.1 122,-0.0 4,-0.0 0, 0.0 -0.872 360.0-141.1-102.5 131.2 7.6 20.9 5.4 3 3 A S > - 0 0 42 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.321 28.6-106.6 -79.8 165.4 6.1 24.4 5.4 4 4 A P H > S+ 0 0 99 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.833 124.1 52.5 -59.8 -32.8 6.8 27.1 8.0 5 5 A A H > S+ 0 0 58 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.933 108.9 47.8 -67.6 -47.4 3.2 26.4 9.3 6 6 A D H > S+ 0 0 18 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.942 109.6 54.6 -55.3 -50.1 3.9 22.6 9.6 7 7 A K H X S+ 0 0 50 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.873 111.1 43.6 -54.2 -41.5 7.2 23.3 11.4 8 8 A T H X S+ 0 0 86 -4,-1.5 4,-3.5 2,-0.2 -1,-0.2 0.923 112.4 53.1 -73.4 -42.1 5.5 25.5 14.0 9 9 A N H X S+ 0 0 41 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.929 111.4 45.7 -52.3 -50.6 2.6 23.0 14.4 10 10 A V H X S+ 0 0 3 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.889 114.8 47.6 -62.2 -43.1 5.0 20.1 15.0 11 11 A K H X S+ 0 0 95 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.936 112.7 49.8 -61.2 -48.9 7.1 22.3 17.5 12 12 A A H X S+ 0 0 41 -4,-3.5 4,-2.3 2,-0.2 -2,-0.2 0.962 112.5 46.1 -53.3 -56.3 3.9 23.3 19.2 13 13 A A H X S+ 0 0 1 -4,-3.0 4,-2.3 1,-0.3 5,-0.2 0.938 114.2 47.2 -58.2 -48.8 2.6 19.8 19.5 14 14 A W H X S+ 0 0 37 -4,-2.7 4,-1.7 1,-0.2 -1,-0.3 0.864 109.0 56.9 -60.2 -32.4 6.0 18.5 20.8 15 15 A G H < S+ 0 0 53 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.925 108.4 46.7 -58.8 -43.8 6.0 21.5 23.1 16 16 A K H < S+ 0 0 139 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.844 107.1 55.5 -70.6 -36.1 2.7 20.2 24.5 17 17 A V H >< S+ 0 0 5 -4,-2.3 3,-2.0 -5,-0.2 -1,-0.2 0.877 84.1 157.7 -58.1 -40.1 3.9 16.6 24.8 18 18 A G G >< - 0 0 37 -4,-1.7 3,-1.3 1,-0.3 -1,-0.1 -0.150 65.4 -4.5 49.9-134.4 6.7 18.0 27.0 19 19 A A G 3 S+ 0 0 111 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.411 118.8 79.3 -73.0 0.5 8.4 15.5 29.3 20 20 A H G <> + 0 0 94 -3,-2.0 4,-2.6 1,-0.2 5,-0.3 0.379 61.9 109.0 -83.7 4.1 5.9 12.8 28.5 21 21 A A H <> S+ 0 0 15 -3,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.908 78.0 43.3 -47.7 -58.2 7.9 12.1 25.2 22 22 A G H > S+ 0 0 16 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.900 113.8 51.3 -53.5 -47.1 9.4 8.8 26.3 23 23 A E H > S+ 0 0 102 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.877 110.1 48.1 -62.3 -42.0 6.1 7.5 27.8 24 24 A Y H X S+ 0 0 19 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.874 108.6 55.6 -68.3 -35.6 4.1 8.3 24.6 25 25 A G H X S+ 0 0 3 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.940 108.3 47.5 -60.1 -49.5 6.8 6.6 22.5 26 26 A A H X S+ 0 0 13 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.898 112.2 49.8 -57.0 -44.6 6.4 3.4 24.5 27 27 A E H X S+ 0 0 31 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.866 107.5 54.1 -64.2 -41.2 2.6 3.5 24.2 28 28 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.928 108.4 50.6 -55.6 -44.9 2.9 4.1 20.5 29 29 A L H X S+ 0 0 3 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.925 109.6 48.9 -61.5 -44.2 5.0 0.9 20.3 30 30 A E H X S+ 0 0 37 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.911 110.5 51.5 -64.5 -41.9 2.5 -1.1 22.3 31 31 A R H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.931 111.6 48.1 -57.0 -44.7 -0.2 0.1 20.0 32 32 A M H X S+ 0 0 11 -4,-2.6 4,-2.7 2,-0.2 7,-0.3 0.934 111.4 48.4 -62.9 -46.9 1.8 -0.9 17.0 33 33 A F H < S+ 0 0 5 -4,-2.8 7,-0.2 1,-0.2 -2,-0.2 0.908 117.6 41.7 -62.9 -41.0 2.6 -4.4 18.4 34 34 A L H < S+ 0 0 76 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.925 121.4 38.4 -71.4 -46.3 -1.0 -5.1 19.3 35 35 A S H < S+ 0 0 15 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.844 128.8 31.3 -75.0 -32.7 -2.7 -3.7 16.2 36 36 A F >< + 0 0 36 -4,-2.7 3,-2.6 -5,-0.3 4,-0.3 -0.680 68.4 179.4-129.2 76.4 -0.0 -4.9 13.7 37 37 A P G > S+ 0 0 72 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.685 73.5 71.0 -60.5 -24.1 1.4 -8.1 15.0 38 38 A T G > S+ 0 0 98 1,-0.3 3,-0.9 2,-0.2 4,-0.1 0.690 87.6 67.8 -62.8 -17.4 3.8 -8.7 12.1 39 39 A T G X S+ 0 0 3 -3,-2.6 3,-1.9 -7,-0.3 -1,-0.3 0.815 84.6 71.6 -71.9 -25.8 5.8 -5.8 13.5 40 40 A K G X S+ 0 0 91 -3,-1.4 3,-2.5 -4,-0.3 -1,-0.2 0.745 78.0 76.2 -63.5 -22.2 6.7 -7.9 16.5 41 41 A T G < S+ 0 0 105 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.1 0.663 87.4 61.1 -68.5 -12.3 9.0 -10.1 14.4 42 42 A Y G < S+ 0 0 63 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.517 107.7 45.9 -85.3 -7.0 11.6 -7.3 14.4 43 43 A F X + 0 0 37 -3,-2.5 3,-1.3 -4,-0.2 -1,-0.2 -0.373 63.3 140.9-130.2 54.7 11.7 -7.6 18.2 44 44 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.814 77.5 51.6 -66.8 -27.6 12.0 -11.3 18.9 45 45 A H T 3 S+ 0 0 143 -3,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.336 95.5 85.4 -93.7 1.2 14.4 -10.6 21.7 46 46 A F S < S- 0 0 39 -3,-1.3 2,-0.6 -6,-0.2 -3,-0.1 -0.777 78.8-127.5 -93.4 148.7 12.2 -8.1 23.5 47 47 A D - 0 0 80 -2,-0.3 8,-0.4 1,-0.1 7,-0.2 -0.883 26.8-172.5 -82.5 128.6 9.6 -8.9 26.0 48 48 A L + 0 0 41 -2,-0.6 3,-0.1 6,-0.1 -1,-0.1 0.224 36.8 126.4-111.9 10.8 6.7 -7.0 24.5 49 49 A S S > S- 0 0 64 1,-0.2 3,-1.8 2,-0.1 6,-0.2 -0.198 76.5 -76.5 -65.3 160.2 4.2 -7.6 27.3 50 50 A H T 3 S+ 0 0 153 1,-0.3 -1,-0.2 5,-0.1 -2,-0.0 -0.352 120.5 20.0 -59.2 135.4 2.5 -4.6 28.9 51 51 A G T 3 S+ 0 0 40 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.480 84.0 164.6 83.7 2.5 4.8 -2.7 31.2 52 52 A S <> - 0 0 7 -3,-1.8 4,-2.7 1,-0.2 -1,-0.3 -0.320 37.2-145.7 -54.5 122.8 7.9 -4.2 29.7 53 53 A A H > S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.803 101.0 56.2 -59.1 -29.4 11.0 -2.2 30.7 54 54 A Q H > S+ 0 0 99 2,-0.2 4,-2.5 -7,-0.2 -1,-0.2 0.880 108.2 45.4 -72.4 -39.6 12.4 -2.9 27.3 55 55 A V H > S+ 0 0 13 -8,-0.4 4,-2.9 -3,-0.2 5,-0.2 0.951 115.0 48.1 -65.3 -50.5 9.4 -1.4 25.5 56 56 A K H X S+ 0 0 127 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.934 113.5 48.1 -51.0 -50.9 9.6 1.6 27.9 57 57 A G H X S+ 0 0 35 -4,-2.6 4,-1.4 -5,-0.2 3,-0.3 0.921 113.5 47.1 -57.7 -45.2 13.3 1.9 27.3 58 58 A H H X S+ 0 0 45 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.861 105.6 58.0 -69.1 -35.1 12.8 1.7 23.5 59 59 A G H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.827 104.5 53.5 -62.7 -32.0 10.0 4.2 23.4 60 60 A K H X S+ 0 0 105 -4,-1.4 4,-2.6 -3,-0.3 -1,-0.2 0.908 108.7 47.8 -69.1 -43.1 12.3 6.7 25.0 61 61 A K H X S+ 0 0 140 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.917 113.5 48.1 -61.6 -44.3 14.9 6.2 22.3 62 62 A V H X S+ 0 0 27 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.935 113.2 47.4 -62.9 -47.8 12.3 6.5 19.6 63 63 A A H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.902 111.4 51.6 -61.1 -38.5 10.9 9.7 21.1 64 64 A D H X S+ 0 0 66 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.908 108.2 51.3 -65.0 -39.6 14.4 11.1 21.5 65 65 A A H X S+ 0 0 28 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.897 110.7 49.3 -64.6 -38.0 15.1 10.4 17.8 66 66 A L H X S+ 0 0 13 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.914 110.7 48.9 -66.3 -44.1 11.9 12.2 16.9 67 67 A T H X S+ 0 0 47 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.911 108.2 54.8 -61.5 -43.1 12.7 15.2 19.1 68 68 A N H X S+ 0 0 66 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.862 109.2 48.6 -57.4 -35.9 16.2 15.4 17.5 69 69 A A H < S+ 0 0 0 -4,-1.5 3,-0.3 2,-0.2 -2,-0.2 0.872 111.1 48.3 -74.5 -38.0 14.5 15.5 14.1 70 70 A V H >< S+ 0 0 13 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.910 110.1 53.9 -58.9 -44.3 12.1 18.3 15.2 71 71 A A H 3< S+ 0 0 68 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.667 123.0 28.3 -67.3 -18.9 15.2 20.1 16.6 72 72 A H T >< S+ 0 0 99 -4,-0.6 3,-1.4 -3,-0.3 -1,-0.3 -0.309 76.1 146.8-137.0 48.4 16.9 19.9 13.2 73 73 A V G X S+ 0 0 20 -3,-1.3 3,-0.7 1,-0.3 -2,-0.1 0.805 70.7 56.9 -60.7 -30.3 13.8 19.8 11.0 74 74 A D G 3 S+ 0 0 130 1,-0.2 -1,-0.3 -4,-0.2 -4,-0.1 0.671 116.7 32.3 -78.6 -18.1 15.7 21.6 8.2 75 75 A D G <> S+ 0 0 80 -3,-1.4 4,-2.4 -6,-0.2 -1,-0.2 -0.297 70.3 143.6-133.7 54.6 18.5 19.0 8.0 76 76 A M H <> + 0 0 13 -3,-0.7 4,-3.4 2,-0.2 5,-0.2 0.866 67.0 61.8 -61.6 -41.5 16.9 15.7 8.8 77 77 A P H 4 S+ 0 0 79 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.943 112.6 37.6 -51.0 -52.9 18.9 13.6 6.4 78 78 A N H >4 S+ 0 0 111 2,-0.2 3,-1.2 1,-0.2 4,-0.4 0.941 117.6 50.7 -62.0 -48.5 22.1 14.5 8.2 79 79 A A H 3< S+ 0 0 32 -4,-2.4 3,-0.3 1,-0.3 4,-0.2 0.892 120.0 35.8 -57.6 -40.2 20.5 14.4 11.6 80 80 A L T 3X S+ 0 0 4 -4,-3.4 4,-2.9 1,-0.2 5,-0.3 0.275 84.2 109.5 -99.8 8.6 19.0 10.9 11.0 81 81 A S H <> S+ 0 0 40 -3,-1.2 4,-2.2 -4,-0.4 5,-0.2 0.909 79.5 46.9 -55.0 -51.7 21.8 9.4 8.9 82 82 A A H > S+ 0 0 80 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.2 0.899 115.1 48.2 -58.1 -41.2 23.1 6.9 11.5 83 83 A L H > S+ 0 0 52 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.890 109.3 50.6 -68.0 -42.7 19.5 5.8 12.1 84 84 A S H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.4 0.869 110.7 51.9 -63.0 -33.9 18.6 5.4 8.5 85 85 A D H X>S+ 0 0 59 -4,-2.2 4,-1.5 -5,-0.3 5,-1.1 0.930 111.1 46.9 -65.8 -45.2 21.7 3.3 8.1 86 86 A L H <>S+ 0 0 75 -4,-2.2 5,-2.5 -5,-0.2 6,-0.3 0.928 116.7 43.0 -58.9 -46.2 20.7 1.1 11.0 87 87 A H H <5S+ 0 0 40 -4,-2.7 6,-2.4 3,-0.2 5,-0.3 0.923 122.3 33.9 -76.7 -40.4 17.1 0.7 9.8 88 88 A A H <5S+ 0 0 0 -4,-2.4 4,-0.2 4,-0.2 -3,-0.2 0.958 128.7 28.5 -76.3 -51.6 17.7 0.0 6.1 89 89 A H T <5S+ 0 0 89 -4,-1.5 -3,-0.2 -5,-0.4 -2,-0.1 0.960 130.3 24.5 -81.3 -57.5 21.0 -1.9 6.1 90 90 A K T - 0 0 78 -2,-0.3 3,-2.2 1,-0.1 4,-0.4 -0.489 20.3-131.6 -61.3 125.8 10.1 -3.2 5.6 95 95 A P T >> S+ 0 0 63 0, 0.0 3,-1.3 0, 0.0 4,-0.7 0.787 103.6 68.2 -53.4 -31.2 9.2 0.4 4.6 96 96 A V H 3> S+ 0 0 79 1,-0.3 4,-1.3 2,-0.2 3,-0.4 0.782 88.2 66.0 -57.6 -29.1 5.5 -0.3 5.2 97 97 A N H <> S+ 0 0 18 -3,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.792 90.6 63.1 -71.1 -22.8 6.2 -0.6 8.9 98 98 A F H <> S+ 0 0 20 -3,-1.3 4,-2.6 -4,-0.4 -1,-0.2 0.890 101.1 51.5 -65.8 -39.9 7.1 3.1 9.0 99 99 A K H X S+ 0 0 122 -4,-0.7 4,-2.4 -3,-0.4 -1,-0.2 0.895 110.2 50.2 -60.0 -41.4 3.5 3.9 8.0 100 100 A L H X S+ 0 0 21 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.918 113.9 42.7 -65.5 -45.0 2.2 1.6 10.8 101 101 A L H X S+ 0 0 35 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.909 112.5 54.0 -71.1 -40.0 4.4 3.2 13.5 102 102 A S H X S+ 0 0 14 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.941 108.7 50.0 -56.9 -47.1 3.7 6.7 12.2 103 103 A H H X S+ 0 0 12 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.940 110.5 48.6 -57.9 -47.1 -0.0 5.9 12.5 104 104 A C H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.827 108.5 53.9 -64.7 -33.3 0.3 4.6 16.1 105 105 A L H X S+ 0 0 18 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.897 110.8 46.8 -66.1 -39.3 2.4 7.7 17.1 106 106 A L H X S+ 0 0 2 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.928 111.7 50.4 -65.4 -45.3 -0.5 9.9 15.7 107 107 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.940 111.1 50.0 -54.8 -49.8 -3.1 7.8 17.6 108 108 A T H X S+ 0 0 1 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.909 112.3 45.8 -55.2 -49.8 -1.0 8.2 20.8 109 109 A L H >X S+ 0 0 17 -4,-2.3 4,-2.2 1,-0.2 3,-1.3 0.931 111.9 52.0 -62.0 -45.7 -0.8 12.0 20.4 110 110 A A H 3< S+ 0 0 1 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.864 108.7 52.3 -55.1 -37.7 -4.5 12.3 19.6 111 111 A A H 3< S+ 0 0 9 -4,-2.1 -1,-0.3 -5,-0.2 150,-0.2 0.627 119.6 33.8 -75.8 -13.3 -5.2 10.3 22.7 112 112 A H H << S+ 0 0 50 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.2 0.555 115.8 50.2-121.3 -16.0 -3.2 12.6 24.9 113 113 A L X + 0 0 20 -4,-2.2 4,-2.2 1,-0.1 -1,-0.2 -0.622 54.7 165.5-126.9 73.4 -3.6 16.0 23.4 114 114 A P T 4 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.910 82.2 38.2 -56.9 -42.9 -7.3 16.7 22.9 115 115 A A T 4 S+ 0 0 92 1,-0.2 3,-0.1 3,-0.0 -2,-0.1 0.879 118.2 48.4 -73.9 -38.0 -6.8 20.5 22.4 116 116 A E T 4 S+ 0 0 38 1,-0.2 2,-2.4 -7,-0.1 -1,-0.2 0.801 89.9 80.7 -77.2 -30.6 -3.6 20.3 20.4 117 117 A F < + 0 0 4 -4,-2.2 -1,-0.2 -8,-0.2 140,-0.0 -0.303 61.8 156.5 -82.2 60.2 -4.6 17.6 17.9 118 118 A T > - 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0 0 12 -3,-1.4 2,-1.3 -4,-0.2 -3,-0.0 -0.591 68.1-134.1 -81.9 127.2 -20.2 7.4 19.7 160 19 B N >> - 0 0 70 -2,-0.4 4,-2.2 1,-0.2 3,-1.9 -0.639 20.7-167.7 -71.4 94.2 -22.0 10.5 18.6 161 20 B V T 34 S+ 0 0 65 -2,-1.3 4,-0.2 1,-0.3 -1,-0.2 0.540 80.0 63.3 -66.2 -8.3 -23.0 9.2 15.1 162 21 B D T 34 S+ 0 0 71 3,-0.1 -1,-0.3 2,-0.1 44,-0.1 0.618 118.3 20.5 -86.0 -14.0 -24.0 12.8 14.0 163 22 B E T <> S+ 0 0 89 -3,-1.9 4,-2.1 2,-0.1 3,-0.3 0.725 108.3 66.2-127.0 -44.9 -20.5 14.2 14.4 164 23 B V H X S+ 0 0 6 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.892 101.4 53.2 -56.4 -45.9 -17.7 11.5 14.3 165 24 B G H > S+ 0 0 1 -5,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.874 111.3 46.3 -55.6 -39.3 -18.4 10.6 10.6 166 25 B G H > S+ 0 0 7 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.833 112.0 50.9 -76.5 -33.4 -18.1 14.3 9.6 167 26 B E H X S+ 0 0 53 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.904 111.7 47.7 -66.3 -45.1 -14.9 14.7 11.6 168 27 B A H X S+ 0 0 5 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.962 116.2 42.2 -63.6 -50.4 -13.4 11.6 10.0 169 28 B L H X S+ 0 0 4 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.931 114.5 52.4 -63.4 -45.1 -14.3 12.6 6.5 170 29 B G H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.926 110.1 47.8 -52.7 -50.0 -13.3 16.2 7.1 171 30 B R H X S+ 0 0 2 -4,-2.6 4,-3.4 1,-0.2 5,-0.4 0.860 107.1 57.4 -64.8 -34.9 -9.8 15.1 8.5 172 31 B L H X S+ 0 0 10 -4,-2.1 4,-2.6 1,-0.2 7,-0.3 0.935 108.5 45.7 -56.3 -47.7 -9.3 12.8 5.5 173 32 B L H < S+ 0 0 0 -4,-2.0 7,-0.3 1,-0.2 -1,-0.2 0.761 117.9 44.6 -71.9 -26.5 -9.7 15.7 3.0 174 33 B V H < S+ 0 0 16 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.922 120.5 36.1 -80.1 -50.7 -7.5 17.9 5.1 175 34 B V H < S+ 0 0 4 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.854 128.8 34.1 -73.9 -35.8 -4.7 15.4 5.8 176 35 B Y S >< S- 0 0 23 -4,-2.6 3,-2.4 -5,-0.4 -1,-0.3 -0.700 73.4-177.3-122.0 79.2 -4.8 13.7 2.4 177 36 B P G > S+ 0 0 60 0, 0.0 3,-2.4 0, 0.0 4,-0.3 0.704 72.6 70.8 -59.1 -28.1 -5.7 16.5 -0.0 178 37 B W G > S+ 0 0 144 1,-0.3 3,-2.1 2,-0.2 4,-0.2 0.824 87.6 69.2 -55.4 -28.9 -5.9 14.3 -3.2 179 38 B T G X S+ 0 0 2 -3,-2.4 3,-1.4 1,-0.3 -1,-0.3 0.730 80.8 74.0 -65.4 -18.3 -9.0 12.9 -1.7 180 39 B Q G X S+ 0 0 56 -3,-2.4 3,-2.2 -7,-0.3 -1,-0.3 0.755 78.7 78.8 -62.1 -22.0 -10.7 16.3 -2.2 181 40 B R G < S+ 0 0 172 -3,-2.1 3,-0.5 -4,-0.3 -1,-0.3 0.737 90.5 49.7 -61.7 -26.6 -10.8 15.3 -5.9 182 41 B F G < S+ 0 0 57 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.357 115.8 45.9 -90.2 6.4 -13.8 13.0 -5.4 183 42 B F X + 0 0 33 -3,-2.2 3,-1.6 -4,-0.1 -2,-0.2 0.037 64.0 121.2-139.5 27.0 -15.5 15.9 -3.5 184 43 B E G > S+ 0 0 140 -3,-0.5 3,-0.9 1,-0.3 -3,-0.1 0.751 74.9 63.9 -66.4 -21.5 -15.1 19.0 -5.6 185 44 B S G 3 S+ 0 0 80 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.626 84.7 76.8 -72.9 -15.0 -18.9 19.3 -5.8 186 45 B F G < S- 0 0 34 -3,-1.6 2,-0.5 1,-0.2 14,-0.4 0.495 96.9-130.1 -80.7 -6.0 -19.1 19.8 -2.1 187 46 B G < + 0 0 54 -3,-0.9 2,-0.7 -4,-0.1 -1,-0.2 -0.833 66.3 31.3 112.2-125.8 -18.0 23.4 -2.2 188 47 B D + 0 0 93 -2,-0.5 3,-0.1 1,-0.1 -4,-0.0 -0.739 51.2 147.9 -88.4 114.7 -15.3 25.3 -0.2 189 48 B L + 0 0 19 -2,-0.7 -1,-0.1 5,-0.1 6,-0.1 0.010 33.1 115.5-131.0 22.6 -12.3 23.1 0.7 190 49 B S S S+ 0 0 95 4,-0.0 3,-0.1 5,-0.0 -1,-0.1 0.510 81.2 23.2 -81.2 -5.8 -9.6 25.7 0.6 191 50 B T S > S- 0 0 69 1,-0.2 4,-3.8 -3,-0.1 5,-0.2 -0.981 76.9-113.3-149.3 164.0 -8.9 25.3 4.4 192 51 B P H > S+ 0 0 38 0, 0.0 4,-4.5 0, 0.0 5,-0.3 0.977 122.2 46.1 -55.5 -59.5 -9.3 23.0 7.4 193 52 B D H > S+ 0 0 141 1,-0.2 4,-2.8 2,-0.2 -3,-0.0 0.904 114.5 51.3 -52.6 -40.8 -11.8 25.3 9.0 194 53 B A H 4 S+ 0 0 14 2,-0.2 -1,-0.2 1,-0.2 -6,-0.1 0.980 116.6 37.5 -58.1 -59.4 -13.4 25.5 5.6 195 54 B V H >< S+ 0 0 1 -4,-3.8 3,-0.9 1,-0.2 -2,-0.2 0.929 120.2 47.2 -56.8 -51.7 -13.5 21.7 5.2 196 55 B M H 3< S+ 0 0 42 -4,-4.5 2,-1.4 1,-0.3 6,-0.2 0.970 115.3 44.6 -59.1 -55.5 -14.4 21.0 8.8 197 56 B G T 3< S+ 0 0 68 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.1 -0.317 89.7 114.6 -85.0 54.1 -17.1 23.7 9.0 198 57 B N X> - 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