==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 31-AUG-94 2HBF . COMPND 2 MOLECULE: HEMOGLOBIN A (N-PROPYL ISOCYANIDE) (ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.A.JOHNSON,J.S.OLSON,G.N.PHILLIPS JR. . 287 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 80.5 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 . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 0 1 0 0 0 0 0 0 2 1 2 1 0 1 3 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 0 173 0, 0.0 127,-0.0 0, 0.0 126,-0.0 0.000 360.0 360.0 360.0 -53.5 36.4 47.7 2.1 2 2 A L - 0 0 18 4,-0.1 122,-0.0 125,-0.0 5,-0.0 0.923 360.0-131.4 52.9 94.1 34.6 48.8 5.2 3 3 A S > - 0 0 43 1,-0.1 4,-1.8 4,-0.0 5,-0.2 -0.030 28.6 -96.0 -67.8 179.5 33.3 52.3 4.8 4 4 A P H > S+ 0 0 101 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.898 125.3 53.2 -69.9 -33.2 33.8 55.0 7.3 5 5 A A H > S+ 0 0 59 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.903 106.7 51.6 -59.5 -48.9 30.4 54.4 8.9 6 6 A D H > S+ 0 0 10 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.924 108.9 50.6 -55.1 -48.9 31.1 50.6 9.3 7 7 A K H X S+ 0 0 45 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.854 111.2 48.0 -55.1 -47.9 34.4 51.3 11.1 8 8 A T H X S+ 0 0 95 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.923 113.9 48.8 -57.9 -45.8 32.6 53.7 13.5 9 9 A N H X S+ 0 0 37 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.956 111.7 46.5 -63.7 -44.0 29.9 51.1 14.0 10 10 A V H X S+ 0 0 3 -4,-3.4 4,-2.9 1,-0.2 5,-0.3 0.951 112.9 51.2 -67.5 -36.8 32.3 48.2 14.7 11 11 A K H X S+ 0 0 100 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.935 111.8 47.4 -66.8 -38.8 34.3 50.4 17.0 12 12 A A H X S+ 0 0 34 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.931 114.2 43.8 -66.5 -51.5 31.2 51.4 18.9 13 13 A A H X S+ 0 0 4 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.919 113.7 50.0 -67.2 -38.1 29.7 48.0 19.3 14 14 A W H >X S+ 0 0 32 -4,-2.9 4,-2.1 -5,-0.3 3,-1.2 0.971 107.4 58.2 -66.4 -39.4 33.1 46.4 20.3 15 15 A G H 3< S+ 0 0 50 -4,-2.6 3,-0.4 -5,-0.3 -2,-0.2 0.913 104.4 47.8 -52.8 -56.3 33.3 49.2 22.7 16 16 A K H 3< S+ 0 0 109 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.771 106.0 59.8 -48.0 -34.7 30.1 48.2 24.5 17 17 A V H X< S+ 0 0 1 -4,-1.3 3,-2.0 -3,-1.2 -1,-0.2 0.898 81.7 143.6 -71.9 -35.4 31.3 44.6 24.5 18 18 A G G >< + 0 0 42 -4,-2.1 3,-2.0 -3,-0.4 -1,-0.1 0.065 69.1 1.7 43.6-137.3 34.3 45.8 26.5 19 19 A A G 3 S+ 0 0 107 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.675 123.5 70.8 -60.3 -15.2 35.6 43.5 29.3 20 20 A H G <> + 0 0 90 -3,-2.0 4,-2.9 1,-0.2 3,-0.3 0.468 66.9 103.5 -76.8 4.7 33.0 40.9 28.3 21 21 A A H <> S+ 0 0 10 -3,-2.0 4,-2.7 1,-0.3 -1,-0.2 0.927 82.0 44.9 -57.7 -47.0 34.8 40.1 25.0 22 22 A G H > S+ 0 0 11 -3,-0.4 4,-1.6 2,-0.2 -1,-0.3 0.841 113.0 49.1 -61.0 -38.3 36.3 36.9 26.3 23 23 A E H > S+ 0 0 123 -3,-0.3 4,-1.7 -4,-0.3 -1,-0.2 0.877 112.1 52.7 -71.1 -28.1 33.1 35.7 27.9 24 24 A Y H X S+ 0 0 22 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.925 107.7 49.1 -74.7 -36.9 31.5 36.5 24.6 25 25 A G H X S+ 0 0 4 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.906 108.2 52.8 -64.7 -41.1 33.9 34.5 22.6 26 26 A A H X S+ 0 0 7 -4,-1.6 4,-2.3 1,-0.3 -1,-0.2 0.916 110.8 49.1 -70.3 -27.9 33.6 31.4 24.8 27 27 A E H X S+ 0 0 37 -4,-1.7 4,-2.4 1,-0.2 -1,-0.3 0.859 107.9 52.8 -77.1 -34.9 29.8 31.6 24.3 28 28 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.887 108.6 51.0 -67.7 -37.1 30.2 32.0 20.5 29 29 A L H X S+ 0 0 9 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.950 109.3 51.1 -66.3 -43.4 32.3 28.8 20.4 30 30 A E H X S+ 0 0 34 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.903 109.1 49.6 -54.6 -45.1 29.7 27.0 22.4 31 31 A R H X S+ 0 0 4 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.927 114.0 47.5 -68.9 -30.1 26.9 28.0 20.1 32 32 A M H X S+ 0 0 15 -4,-2.1 4,-2.5 2,-0.2 7,-0.3 0.863 109.5 49.5 -74.0 -47.4 29.0 26.9 17.1 33 33 A F H < S+ 0 0 11 -4,-2.8 7,-0.2 1,-0.2 -1,-0.2 0.909 119.7 40.0 -62.7 -37.1 30.1 23.5 18.5 34 34 A L H < S+ 0 0 81 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.916 120.9 40.1 -74.3 -50.4 26.5 22.8 19.3 35 35 A S H < S+ 0 0 13 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.854 125.7 34.7 -69.6 -32.9 24.7 24.2 16.3 36 36 A F >< + 0 0 36 -4,-2.5 3,-1.8 -5,-0.2 4,-0.3 -0.703 64.7 178.4-129.4 78.9 27.3 23.0 13.8 37 37 A P G > S+ 0 0 82 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.767 74.8 72.9 -56.6 -23.2 28.7 19.6 14.9 38 38 A T G > S+ 0 0 98 1,-0.3 3,-1.5 2,-0.2 4,-0.1 0.878 87.7 61.9 -66.7 -24.2 30.9 19.3 11.8 39 39 A T G X S+ 0 0 3 -3,-1.8 3,-1.7 1,-0.3 -1,-0.3 0.701 84.8 76.6 -72.3 -18.5 33.2 22.0 13.2 40 40 A K G X S+ 0 0 99 -3,-1.7 3,-2.6 -4,-0.3 -1,-0.3 0.820 74.4 82.4 -69.6 -13.3 34.1 19.8 16.2 41 41 A T G < S+ 0 0 107 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.610 87.8 52.4 -61.5 -22.9 36.3 17.9 13.8 42 42 A Y G < S+ 0 0 70 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.456 108.3 51.1 -91.7 -2.5 39.0 20.5 14.3 43 43 A F X + 0 0 45 -3,-2.6 3,-1.4 -4,-0.2 -1,-0.2 -0.332 57.1 139.5-133.3 55.8 39.0 20.2 18.1 44 44 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.782 73.3 59.8 -80.3 -12.9 39.3 16.5 18.9 45 45 A H T 3 S+ 0 0 127 -3,-0.2 2,-0.4 2,-0.1 -2,-0.0 0.337 93.1 85.8 -88.9 5.3 41.6 17.3 21.7 46 46 A F S < S- 0 0 33 -3,-1.4 2,-0.7 -6,-0.2 -3,-0.1 -0.834 74.6-129.2-106.4 158.0 39.1 19.5 23.6 47 47 A D - 0 0 86 -2,-0.4 8,-0.5 1,-0.1 7,-0.2 -0.885 27.0-172.1-100.0 119.8 36.5 18.9 26.1 48 48 A L + 0 0 45 -2,-0.7 -1,-0.1 6,-0.1 2,-0.1 0.057 35.5 128.5-106.5 17.9 33.7 20.7 24.5 49 49 A S S > S- 0 0 60 1,-0.1 3,-2.6 2,-0.0 6,-0.2 -0.389 77.1 -86.9 -73.7 163.9 31.1 20.4 27.3 50 50 A H T 3 S+ 0 0 137 1,-0.3 -1,-0.1 -2,-0.1 -20,-0.1 0.695 123.6 30.2 -38.4 -45.1 29.3 23.4 28.7 51 51 A G T 3 S+ 0 0 50 4,-0.0 -1,-0.3 5,-0.0 -3,-0.1 0.270 79.9 150.2-106.2 11.5 31.9 24.4 31.3 52 52 A S <> - 0 0 6 -3,-2.6 4,-2.0 1,-0.2 5,-0.1 -0.212 40.2-151.4 -47.5 124.7 35.0 23.3 29.6 53 53 A A H > S+ 0 0 79 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.796 97.1 62.3 -67.4 -22.5 37.9 25.5 30.7 54 54 A Q H > S+ 0 0 79 -7,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.948 103.8 46.7 -68.0 -41.3 39.4 24.7 27.3 55 55 A V H > S+ 0 0 10 -8,-0.5 4,-3.3 1,-0.2 -2,-0.2 0.959 113.3 50.2 -61.9 -43.0 36.5 26.4 25.5 56 56 A K H X S+ 0 0 101 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.932 111.2 47.5 -55.4 -49.5 36.7 29.4 27.9 57 57 A G H X S+ 0 0 34 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.815 114.7 47.6 -69.2 -27.7 40.4 29.7 27.3 58 58 A H H X S+ 0 0 53 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.910 104.8 57.4 -81.1 -42.7 39.9 29.5 23.7 59 59 A G H X S+ 0 0 0 -4,-3.3 4,-2.8 2,-0.2 -2,-0.2 0.888 106.5 50.9 -41.2 -47.9 37.0 32.0 23.6 60 60 A K H X S+ 0 0 107 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.902 108.7 52.5 -63.0 -41.3 39.4 34.6 25.2 61 61 A K H X S+ 0 0 135 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.913 111.5 44.7 -59.0 -39.8 41.9 33.8 22.5 62 62 A V H X S+ 0 0 29 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.976 113.5 51.9 -69.9 -43.9 39.3 34.4 19.7 63 63 A A H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.877 109.5 48.8 -61.6 -44.0 38.1 37.6 21.4 64 64 A D H X S+ 0 0 108 -4,-2.8 4,-3.0 1,-0.3 -1,-0.2 0.918 108.5 52.5 -65.1 -43.4 41.6 39.0 21.7 65 65 A A H X S+ 0 0 24 -4,-2.0 4,-1.5 1,-0.2 -1,-0.3 0.842 111.6 47.4 -57.0 -40.1 42.4 38.3 18.1 66 66 A L H X S+ 0 0 16 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.904 109.6 52.7 -70.5 -36.9 39.2 40.2 17.1 67 67 A T H X S+ 0 0 54 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.938 107.0 52.7 -63.6 -44.3 40.0 43.0 19.4 68 68 A N H X S+ 0 0 63 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.865 109.6 49.7 -52.8 -42.1 43.4 43.3 17.7 69 69 A A H < S+ 0 0 0 -4,-1.5 6,-0.2 1,-0.2 -2,-0.2 0.856 111.0 48.2 -63.2 -51.0 41.6 43.4 14.3 70 70 A V H >< S+ 0 0 12 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.823 112.4 49.2 -54.0 -43.8 39.2 46.2 15.4 71 71 A A H 3< S+ 0 0 67 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.722 122.9 33.7 -73.0 -21.7 42.2 48.1 16.8 72 72 A H T >< S+ 0 0 90 -4,-0.9 3,-2.3 -5,-0.2 -1,-0.2 -0.160 75.5 144.4-127.6 49.9 44.0 47.7 13.5 73 73 A V G X + 0 0 16 -3,-0.8 3,-0.5 1,-0.3 -1,-0.1 0.690 69.7 52.2 -72.3 -15.5 41.1 47.8 11.2 74 74 A D G 3 S+ 0 0 128 1,-0.2 -1,-0.3 -3,-0.1 -4,-0.1 0.320 119.7 35.5-101.7 12.8 43.0 49.6 8.4 75 75 A D G <> + 0 0 73 -3,-2.3 4,-2.5 -6,-0.2 -1,-0.2 -0.155 69.1 141.0-155.1 43.9 45.8 47.1 8.4 76 76 A M H <> S+ 0 0 10 -3,-0.5 4,-3.5 1,-0.2 5,-0.3 0.901 70.2 58.9 -62.3 -44.8 44.2 43.7 9.2 77 77 A P H > S+ 0 0 82 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.956 113.7 38.6 -50.9 -46.6 46.4 41.7 6.8 78 78 A N H >4 S+ 0 0 114 1,-0.2 3,-1.6 2,-0.2 4,-0.4 0.994 117.6 51.2 -67.5 -50.9 49.6 42.8 8.7 79 79 A A H 3< S+ 0 0 31 -4,-2.5 -1,-0.2 1,-0.3 -3,-0.2 0.756 124.4 26.1 -48.3 -50.0 47.8 42.6 12.1 80 80 A L H >X S+ 0 0 4 -4,-3.5 4,-2.1 1,-0.1 3,-1.6 0.315 83.1 115.3-104.5 9.0 46.6 39.0 11.5 81 81 A S H XX S+ 0 0 57 -3,-1.6 4,-2.6 -4,-1.2 3,-0.5 0.908 79.6 50.6 -47.2 -49.1 49.2 37.6 9.1 82 82 A A H 3> S+ 0 0 70 -4,-0.4 4,-1.7 1,-0.3 -1,-0.3 0.733 108.6 50.4 -56.3 -39.5 50.4 35.1 11.6 83 83 A L H <> S+ 0 0 59 -3,-1.6 4,-2.3 2,-0.2 -1,-0.3 0.757 108.2 55.6 -76.2 -22.6 46.9 33.8 12.3 84 84 A S H S+ 0 0 10 -4,-2.1 4,-3.0 -3,-0.5 5,-1.0 0.991 105.9 49.3 -64.6 -57.2 46.4 33.5 8.6 85 85 A D H X>S+ 0 0 83 -4,-2.6 4,-1.2 1,-0.3 5,-0.9 0.908 115.9 45.1 -45.5 -57.2 49.5 31.3 8.3 86 86 A L H X>S+ 0 0 55 -4,-1.7 5,-2.7 3,-0.2 4,-0.9 0.913 121.6 34.8 -48.0 -56.7 48.2 29.2 11.2 87 87 A H H <5S+ 0 0 43 -4,-2.3 6,-2.3 3,-0.2 5,-0.2 0.970 132.8 25.9 -77.9 -42.2 44.6 28.9 10.0 88 88 A A H <5S+ 0 0 2 -4,-3.0 -3,-0.2 48,-0.3 -2,-0.1 0.943 130.8 36.1 -84.8 -45.6 45.1 28.7 6.3 89 89 A H H < - 0 0 78 -2,-0.3 3,-1.8 1,-0.2 4,-0.3 -0.520 23.3-136.5 -47.9 124.5 37.8 24.7 5.8 95 95 A P T >> S+ 0 0 67 0, 0.0 3,-1.3 0, 0.0 4,-0.7 0.713 98.2 70.0 -57.8 -34.5 36.7 28.2 4.8 96 96 A V H >> S+ 0 0 68 1,-0.2 4,-1.2 2,-0.2 3,-1.0 0.875 89.9 65.2 -56.3 -24.5 33.0 27.4 5.2 97 97 A N H <> S+ 0 0 18 -3,-1.8 4,-1.7 1,-0.3 -1,-0.2 0.700 88.8 63.5 -73.4 -26.2 33.6 27.2 8.9 98 98 A F H <> S+ 0 0 18 -3,-1.3 4,-2.0 -4,-0.3 -1,-0.3 0.805 102.1 52.1 -68.1 -31.7 34.5 30.9 9.2 99 99 A K H X S+ 0 0 9 -4,-2.6 4,-1.7 1,-0.3 3,-0.8 0.907 112.0 49.7 -62.1 -41.6 26.3 39.9 20.2 110 110 A A H 3< S+ 0 0 1 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.835 108.5 55.4 -65.0 -29.9 22.5 40.1 19.4 111 111 A A H 3< S+ 0 0 1 -4,-1.9 151,-0.3 -3,-0.3 -1,-0.2 0.707 120.3 28.3 -76.7 -16.8 21.8 38.1 22.6 112 112 A H H << S+ 0 0 61 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.471 118.6 50.1-121.4 -21.2 23.8 40.6 24.8 113 113 A L X + 0 0 10 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 -0.478 55.2 158.5-123.5 66.7 23.6 44.0 23.2 114 114 A P T 4 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.845 76.7 48.6 -71.7 -25.1 19.9 44.6 22.4 115 115 A A T 4 S+ 0 0 76 1,-0.1 3,-0.1 -3,-0.1 -2,-0.1 0.935 117.3 38.9 -72.7 -43.6 20.3 48.4 22.2 116 116 A E T 4 S+ 0 0 52 1,-0.2 2,-2.3 -3,-0.1 5,-0.2 0.696 91.0 87.4 -88.2 -6.5 23.4 48.4 19.8 117 117 A F < + 0 0 2 -4,-1.9 -1,-0.2 -8,-0.2 -4,-0.0 -0.321 59.9 152.9 -91.8 69.8 22.5 45.6 17.5 118 118 A T > - 0 0 63 -2,-2.3 4,-2.7 1,-0.1 5,-0.3 -0.323 62.9 -94.9 -82.2 177.4 20.5 47.7 15.0 119 119 A P H > S+ 0 0 19 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.911 125.5 47.7 -55.6 -46.2 20.1 46.8 11.4 120 120 A A H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.838 113.9 45.0 -64.8 -44.8 23.1 49.1 10.4 121 121 A V H > S+ 0 0 13 2,-0.2 4,-2.8 -5,-0.2 5,-0.2 0.878 110.8 54.3 -66.0 -38.2 25.4 47.8 13.1 122 122 A H H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.950 110.5 48.0 -60.0 -44.2 24.4 44.2 12.2 123 123 A A H X S+ 0 0 10 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.916 114.6 44.6 -64.3 -50.9 25.4 45.0 8.6 124 124 A S H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.847 112.5 51.2 -53.4 -49.3 28.7 46.6 9.6 125 125 A L H X S+ 0 0 4 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.931 109.2 51.5 -63.8 -38.0 29.5 43.8 12.0 126 126 A D H X S+ 0 0 34 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.891 112.0 46.4 -64.5 -38.5 28.8 41.2 9.2 127 127 A K H X S+ 0 0 91 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.858 110.5 52.4 -72.1 -42.7 31.1 43.0 6.9 128 128 A F H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.951 111.6 45.8 -56.5 -53.4 33.8 43.3 9.5 129 129 A L H X S+ 0 0 7 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.868 109.2 56.8 -63.8 -31.1 33.7 39.5 10.2 130 130 A A H X S+ 0 0 49 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.923 109.0 47.0 -64.5 -34.8 33.7 38.8 6.5 131 131 A S H X S+ 0 0 31 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.856 109.4 50.8 -72.8 -46.1 36.9 40.7 6.2 132 132 A V H X S+ 0 0 12 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.963 112.3 49.9 -56.7 -43.6 38.6 39.0 9.1 133 133 A S H X S+ 0 0 17 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.764 107.5 53.1 -59.2 -45.7 37.6 35.7 7.5 134 134 A T H >< S+ 0 0 70 -4,-1.7 3,-0.5 2,-0.2 4,-0.4 0.911 110.8 46.7 -55.3 -50.0 39.0 36.7 4.1 135 135 A V H >< S+ 0 0 13 -4,-2.3 3,-1.6 1,-0.2 4,-0.2 0.960 111.8 52.0 -60.9 -41.4 42.3 37.6 5.7 136 136 A L H 3< S+ 0 0 18 -4,-2.7 -48,-0.3 1,-0.3 -1,-0.2 0.683 114.9 39.7 -67.0 -28.3 42.3 34.3 7.7 137 137 A T T XX S+ 0 0 18 -4,-0.9 3,-1.1 -3,-0.5 4,-0.7 0.352 85.9 114.5 -96.5 7.4 41.7 32.2 4.5 138 138 A S T <4 + 0 0 43 -3,-1.6 3,-0.2 -4,-0.4 -2,-0.1 0.664 67.2 58.4 -56.5 -39.5 44.1 34.4 2.6 139 139 A K T 34 S+ 0 0 107 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.906 95.8 64.1 -49.5 -56.2 46.7 31.7 2.0 140 140 A Y T <4 0 0 87 -3,-1.1 -2,-0.2 1,-0.3 -1,-0.2 0.861 360.0 360.0 -38.4 -41.7 44.1 29.6 0.2 141 141 A R < 0 0 210 -4,-0.7 -1,-0.3 -3,-0.2 -4,-0.1 -0.846 360.0 360.0-117.2 360.0 44.0 32.5 -2.3 142 !* 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 59 0, 0.0 79,-0.0 0, 0.0 132,-0.0 0.000 360.0 360.0 360.0 151.1 14.3 17.2 10.4 144 2 B H - 0 0 162 77,-0.0 76,-0.0 130,-0.0 77,-0.0 0.983 360.0-176.8 -82.1 -70.7 14.2 15.0 13.5 145 3 B L - 0 0 11 4,-0.1 126,-0.0 75,-0.0 75,-0.0 0.758 23.8-119.9 70.1 121.8 14.2 17.0 16.7 146 4 B T > - 0 0 48 1,-0.1 4,-2.8 4,-0.0 5,-0.4 -0.558 32.6 -97.6 -88.8 160.1 14.2 15.3 20.1 147 5 B P H > S+ 0 0 105 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.847 127.9 43.8 -40.0 -41.4 11.5 15.8 22.7 148 6 B E H > S+ 0 0 141 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.891 111.1 52.2 -82.2 -30.9 13.7 18.4 24.4 149 7 B E H > S+ 0 0 38 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.908 113.6 45.5 -66.7 -40.4 14.6 20.2 21.2 150 8 B K H X S+ 0 0 95 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.848 110.4 53.0 -66.7 -46.5 11.0 20.4 20.3 151 9 B S H X S+ 0 0 79 -4,-1.9 4,-3.0 -5,-0.4 5,-0.3 0.992 112.5 46.4 -49.9 -48.5 10.2 21.5 23.8 152 10 B A H X S+ 0 0 24 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.835 115.4 44.1 -68.9 -34.4 12.8 24.2 23.3 153 11 B V H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.930 116.6 46.9 -77.6 -34.8 11.6 25.3 19.9 154 12 B T H X S+ 0 0 72 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.895 106.7 53.0 -85.8 -35.7 8.0 25.3 20.8 155 13 B A H X S+ 0 0 50 -4,-3.0 4,-0.8 -5,-0.3 -1,-0.2 0.934 115.1 43.8 -61.1 -34.7 8.1 27.1 24.1 156 14 B L H >< S+ 0 0 5 -4,-1.0 3,-0.9 -5,-0.3 4,-0.2 0.931 108.9 54.6 -81.3 -40.4 9.9 30.0 22.4 157 15 B W H >< S+ 0 0 35 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.823 101.0 59.4 -66.0 -40.6 7.9 30.2 19.2 158 16 B G H 3< S+ 0 0 70 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.844 105.3 52.2 -46.6 -32.7 4.7 30.6 21.2 159 17 B K T << S+ 0 0 109 -3,-0.9 2,-0.3 -4,-0.8 -1,-0.2 0.440 85.3 116.6 -85.5 -5.4 6.2 33.7 22.7 160 18 B V S < S- 0 0 14 -3,-1.5 2,-1.7 -4,-0.2 -3,-0.0 -0.518 70.2-126.4 -76.8 132.5 7.1 35.2 19.3 161 19 B N >> - 0 0 63 -2,-0.3 3,-1.7 1,-0.2 4,-1.4 -0.536 24.2-166.5 -71.0 95.8 5.5 38.5 18.2 162 20 B V T 34 S+ 0 0 59 -2,-1.7 -1,-0.2 1,-0.3 49,-0.1 0.081 79.3 58.1 -71.8 26.1 4.2 37.2 14.9 163 21 B D T 34 S+ 0 0 100 -2,-1.0 -1,-0.3 47,-0.0 44,-0.1 0.527 118.5 20.7-122.1 -20.1 3.5 40.8 13.8 164 22 B E T X> S+ 0 0 126 -3,-1.7 3,-2.2 2,-0.1 4,-2.0 0.816 110.1 62.1-122.2 -48.1 6.9 42.3 14.0 165 23 B V H 3X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.3 5,-0.2 0.863 102.3 58.8 -51.3 -44.4 9.7 39.6 14.0 166 24 B G H 3> S+ 0 0 4 -5,-0.4 4,-0.8 1,-0.2 -1,-0.3 0.772 109.2 43.0 -62.1 -26.5 8.6 38.6 10.6 167 25 B G H <> S+ 0 0 8 -3,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.846 110.0 56.0 -87.0 -33.3 9.2 42.1 9.3 168 26 B E H X S+ 0 0 48 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.769 106.2 51.4 -62.6 -38.3 12.5 42.6 11.1 169 27 B A H X S+ 0 0 6 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.896 113.9 42.1 -67.3 -45.0 14.0 39.4 9.5 170 28 B L H X S+ 0 0 9 -4,-0.8 4,-2.6 -5,-0.2 5,-0.2 0.963 114.7 51.6 -68.4 -45.2 13.1 40.5 6.0 171 29 B G H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.3 -2,-0.2 0.910 113.3 43.9 -56.6 -53.8 14.2 44.1 6.7 172 30 B R H X S+ 0 0 1 -4,-2.1 4,-3.2 2,-0.2 5,-0.4 0.860 108.8 58.1 -59.6 -40.1 17.6 42.9 8.0 173 31 B L H X S+ 0 0 16 -4,-2.3 4,-2.9 2,-0.2 7,-0.2 0.974 110.9 44.2 -50.4 -49.5 17.9 40.4 5.1 174 32 B L H < S+ 0 0 0 -4,-2.6 7,-0.3 1,-0.2 -2,-0.2 0.906 117.6 44.1 -63.9 -42.0 17.6 43.4 2.6 175 33 B V H < S+ 0 0 20 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.958 121.5 36.0 -71.4 -47.8 19.9 45.6 4.6 176 34 B V H < S+ 0 0 13 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.857 128.6 33.9 -79.4 -36.7 22.7 43.1 5.3 177 35 B Y S >< S+ 0 0 26 -4,-2.9 3,-2.6 -5,-0.4 -1,-0.3 -0.526 72.4 179.3-120.8 72.9 22.5 41.2 2.0 178 36 B P G > S+ 0 0 65 0, 0.0 3,-2.6 0, 0.0 4,-0.5 0.674 70.7 73.6 -47.5 -30.9 21.6 44.0 -0.5 179 37 B W G > S+ 0 0 143 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.845 87.9 63.4 -51.7 -34.6 21.6 41.7 -3.5 180 38 B T G X S+ 0 0 6 -3,-2.6 3,-1.2 1,-0.3 -1,-0.3 0.596 83.3 77.8 -67.7 -17.4 18.3 40.3 -2.3 181 39 B Q G X S+ 0 0 56 -3,-2.6 3,-3.8 -7,-0.3 -1,-0.3 0.891 76.0 76.8 -60.7 -32.0 16.8 43.8 -2.8 182 40 B R G X S+ 0 0 172 -3,-1.4 3,-0.7 -4,-0.5 -1,-0.2 0.781 92.9 51.5 -44.5 -32.9 16.6 43.0 -6.5 183 41 B F G < S+ 0 0 88 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.562 114.1 41.8 -84.9 -8.1 13.6 40.8 -5.8 184 42 B F G X + 0 0 39 -3,-3.8 3,-2.0 -4,-0.2 4,-0.3 -0.075 66.6 125.1-132.7 22.0 11.8 43.6 -3.9 185 43 B E G X S+ 0 0 141 -3,-0.7 3,-1.0 1,-0.3 -1,-0.1 0.749 72.7 64.3 -61.4 -21.6 12.4 46.7 -5.9 186 44 B S G 3 S+ 0 0 99 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.624 84.5 74.9 -72.3 -19.9 8.6 47.1 -6.1 187 45 B F G < S- 0 0 21 -3,-2.0 2,-0.3 1,-0.2 14,-0.3 0.673 94.5-153.6 -65.4 -25.2 8.6 47.6 -2.3 188 46 B G < + 0 0 38 -3,-1.0 -1,-0.2 -4,-0.3 2,-0.1 -0.656 56.7 47.7 100.6-153.7 10.0 51.0 -2.9 189 47 B D + 0 0 124 -2,-0.3 10,-0.1 1,-0.2 -3,-0.0 -0.298 60.5 141.0 -33.7 97.6 12.1 53.4 -0.9 190 48 B L + 0 0 15 -2,-0.1 -1,-0.2 5,-0.1 6,-0.1 0.097 25.1 113.4-132.9 27.2 14.9 51.0 0.2 191 49 B S S S+ 0 0 116 1,-0.0 -2,-0.1 4,-0.0 3,-0.0 0.728 79.8 32.4 -76.1 -21.8 18.1 53.2 -0.1 192 50 B T S > S- 0 0 69 1,-0.1 4,-2.4 0, 0.0 5,-0.2 -0.961 84.0-112.7-130.2 163.1 18.8 53.3 3.6 193 51 B P H > S+ 0 0 39 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.862 119.3 50.5 -61.9 -33.7 18.3 50.9 6.6 194 52 B D H > S+ 0 0 132 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.941 108.1 53.7 -73.9 -40.8 15.7 53.3 8.1 195 53 B A H >4 S+ 0 0 18 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.969 113.8 42.5 -40.3 -69.7 13.9 53.4 4.8 196 54 B V H >< S+ 0 0 1 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.870 111.9 52.5 -50.2 -46.9 13.7 49.6 4.7 197 55 B M H 3< S+ 0 0 56 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.855 113.3 43.5 -71.6 -25.8 12.8 49.1 8.3 198 56 B G T << S+ 0 0 60 -4,-2.2 -1,-0.3 -3,-0.5 -2,-0.2 0.365 81.6 122.0 -93.7 2.3 9.8 51.5 8.1 199 57 B N X> - 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0 0 95 -2,-0.3 3,-2.1 1,-0.2 4,-0.3 -0.641 20.6-130.5 -75.9 132.4 19.5 30.8 -5.4 242 100 B P T >> S+ 0 0 41 0, 0.0 4,-1.3 0, 0.0 3,-1.2 0.685 100.7 75.5 -60.6 -23.0 18.9 28.4 -2.5 243 101 B E H 3> S+ 0 0 55 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.824 89.0 59.2 -56.7 -33.2 21.8 29.9 -0.6 244 102 B N H <> S+ 0 0 25 -3,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.693 96.2 60.4 -72.1 -17.0 19.6 32.8 0.2 245 103 B F H <> S+ 0 0 20 -3,-1.2 4,-2.4 -4,-0.3 -1,-0.2 0.912 105.4 50.2 -68.1 -42.4 17.1 30.5 1.9 246 104 B R H X S+ 0 0 135 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.947 109.4 50.5 -60.1 -42.8 20.0 29.7 4.3 247 105 B L H X S+ 0 0 25 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.906 109.6 48.6 -69.1 -38.6 20.8 33.4 4.9 248 106 B L H X S+ 0 0 34 -4,-1.8 4,-3.1 1,-0.2 -1,-0.2 0.927 110.2 54.1 -66.0 -39.3 17.2 34.3 5.7 249 107 B G H X S+ 0 0 3 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.951 111.8 44.1 -57.2 -53.1 17.2 31.3 8.1 250 108 B N H X S+ 0 0 33 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.828 110.6 50.9 -67.2 -34.0 20.2 32.6 9.8 251 109 B V H X S+ 0 0 2 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.943 108.1 57.1 -70.1 -29.7 19.1 36.3 10.0 252 110 B L H X S+ 0 0 7 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.923 104.8 51.1 -59.1 -43.0 15.8 34.8 11.5 253 111 B V H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.3 -1,-0.2 0.922 109.2 50.3 -61.6 -44.5 18.0 33.1 14.2 254 112 B C H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.824 107.6 54.1 -55.5 -46.0 19.7 36.5 15.0 255 113 B V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.936 109.2 46.7 -59.3 -44.2 16.4 38.2 15.3 256 114 B L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.882 112.0 51.7 -63.5 -36.7 15.2 35.7 17.9 257 115 B A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.941 111.1 48.5 -63.0 -36.5 18.5 36.1 19.7 258 116 B H H < S+ 0 0 37 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.928 116.4 41.8 -76.3 -36.7 17.9 39.8 19.7 259 117 B H H < S+ 0 0 91 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.795 124.5 32.6 -73.1 -42.4 14.4 39.6 20.9 260 118 B F H >< S- 0 0 27 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.548 83.1-174.8-104.2 -9.5 14.8 36.9 23.6 261 119 B G G >< S+ 0 0 6 -4,-2.4 3,-3.2 -5,-0.3 -1,-0.2 -0.215 70.7 5.0 57.5-137.3 18.3 37.6 24.8 262 120 B K G 3 S+ 0 0 154 1,-0.3 -1,-0.3 -151,-0.3 3,-0.1 0.729 121.1 72.6 -61.4 -18.4 19.7 35.1 27.3 263 121 B E G < S+ 0 0 103 -3,-1.8 2,-1.6 1,-0.2 -1,-0.3 0.719 83.4 73.7 -62.4 -21.7 16.6 33.0 26.9 264 122 B F S < S+ 0 0 0 -3,-3.2 -1,-0.2 -7,-0.2 -3,-0.1 -0.540 77.0 174.8 -97.0 63.4 18.1 32.1 23.5 265 123 B T > - 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