==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 16-FEB-11 3QQR . COMPND 2 MOLECULE: NON-LEGUME HEMOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARASPONIA ANDERSONII; . AUTHOR S.KAKAR,R.STURMS,A.SAVAGE,J.C.NIX,A.DISPIRITO,M.S.HARGROVE . 294 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 79.6 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 . 7 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 0 0 0 0 0 0 0 3 3 0 0 2 1 1 0 2 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 9 A V 0 0 181 0, 0.0 2,-0.5 0, 0.0 74,-0.1 0.000 360.0 360.0 360.0 132.4 6.8 -39.8 -20.7 2 10 A F - 0 0 18 72,-0.1 2,-0.2 76,-0.1 76,-0.1 -0.612 360.0-150.1 -77.9 122.9 10.3 -39.5 -19.2 3 11 A T > - 0 0 52 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.474 26.3-112.9 -97.1 161.1 12.8 -41.4 -21.4 4 12 A E H > S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.801 119.1 55.9 -58.3 -32.1 16.1 -43.2 -20.8 5 13 A E H > S+ 0 0 131 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.937 108.2 45.2 -66.3 -48.2 17.8 -40.4 -22.8 6 14 A Q H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.835 112.3 53.0 -64.1 -36.1 16.4 -37.6 -20.5 7 15 A E H X S+ 0 0 40 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.943 107.5 51.2 -63.6 -46.3 17.3 -39.7 -17.4 8 16 A A H X S+ 0 0 42 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.900 109.3 52.1 -56.8 -43.6 20.9 -40.0 -18.7 9 17 A L H X S+ 0 0 48 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.891 113.5 41.1 -61.2 -45.5 21.1 -36.3 -19.2 10 18 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.948 115.9 51.0 -69.7 -47.3 20.0 -35.4 -15.7 11 19 A V H X S+ 0 0 53 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.930 115.9 39.3 -56.6 -52.6 22.1 -38.2 -14.1 12 20 A K H X S+ 0 0 130 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.939 114.9 52.1 -64.7 -48.3 25.3 -37.2 -15.9 13 21 A A H X S+ 0 0 0 -4,-2.0 4,-3.3 -5,-0.3 5,-0.2 0.919 113.5 45.1 -53.6 -46.1 24.8 -33.4 -15.6 14 22 A W H X S+ 0 0 21 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.957 110.1 54.8 -65.2 -48.3 24.2 -33.8 -11.9 15 23 A A H < S+ 0 0 53 -4,-2.8 4,-0.4 -5,-0.2 -2,-0.2 0.898 114.7 41.4 -44.5 -49.4 27.2 -36.2 -11.7 16 24 A V H >< S+ 0 0 51 -4,-3.0 3,-1.4 1,-0.2 4,-0.3 0.980 118.9 42.9 -63.7 -58.3 29.3 -33.4 -13.2 17 25 A M H >< S+ 0 0 10 -4,-3.3 3,-1.8 1,-0.3 7,-0.2 0.763 98.4 73.7 -62.1 -32.4 27.8 -30.4 -11.3 18 26 A K G >< S+ 0 0 129 -4,-3.1 3,-1.0 1,-0.3 -1,-0.3 0.673 82.6 70.9 -58.6 -22.4 27.8 -32.3 -7.9 19 27 A K G < S+ 0 0 169 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.828 112.1 28.4 -63.8 -33.1 31.6 -31.8 -7.8 20 28 A N G <> S+ 0 0 102 -3,-1.8 4,-2.0 -4,-0.3 -1,-0.2 -0.267 74.8 141.0-120.1 45.1 31.0 -28.1 -7.1 21 29 A S H <> + 0 0 33 -3,-1.0 4,-2.5 1,-0.2 5,-0.2 0.706 68.5 62.1 -65.2 -17.3 27.6 -28.1 -5.4 22 30 A A H > S+ 0 0 60 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.983 109.2 38.0 -68.9 -59.8 28.8 -25.3 -3.0 23 31 A E H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.844 118.1 55.5 -51.7 -38.2 29.4 -22.7 -5.8 24 32 A L H X S+ 0 0 9 -4,-2.0 4,-2.2 -7,-0.2 -2,-0.2 0.890 105.8 47.9 -69.0 -44.8 26.2 -24.2 -7.4 25 33 A G H X S+ 0 0 4 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.898 112.7 48.6 -62.4 -44.2 23.9 -23.7 -4.4 26 34 A L H X S+ 0 0 98 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.937 111.9 48.9 -62.2 -49.0 25.0 -20.1 -3.9 27 35 A Q H X S+ 0 0 80 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.915 109.8 53.8 -54.9 -46.9 24.5 -19.3 -7.6 28 36 A F H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 3,-0.2 0.923 112.6 41.0 -55.1 -55.2 21.0 -20.9 -7.6 29 37 A F H X S+ 0 0 13 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.859 110.8 56.3 -67.8 -35.7 19.8 -18.8 -4.6 30 38 A L H X S+ 0 0 85 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.824 109.7 48.5 -60.0 -32.9 21.4 -15.6 -5.9 31 39 A K H X S+ 0 0 24 -4,-1.6 4,-1.8 -3,-0.2 -2,-0.2 0.937 109.2 52.3 -73.4 -44.2 19.4 -16.2 -9.1 32 40 A I H X S+ 0 0 7 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.911 115.9 39.7 -55.0 -45.9 16.2 -16.8 -7.1 33 41 A F H < S+ 0 0 12 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.665 107.4 60.9 -85.8 -17.8 16.5 -13.5 -5.2 34 42 A E H < S+ 0 0 88 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.892 114.9 37.8 -67.5 -39.3 17.8 -11.5 -8.1 35 43 A I H < S+ 0 0 0 -4,-1.8 226,-0.4 1,-0.2 -2,-0.2 0.901 138.1 13.5 -74.1 -49.2 14.4 -12.3 -9.8 36 44 A A >< + 0 0 0 -4,-2.4 3,-2.7 -5,-0.2 4,-0.4 -0.671 61.6 177.1-137.6 79.4 12.2 -12.1 -6.8 37 45 A P G > S+ 0 0 46 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.839 82.6 64.7 -46.3 -39.3 13.9 -10.5 -3.8 38 46 A S G > S+ 0 0 12 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.547 80.1 77.6 -68.1 -11.8 10.6 -10.9 -1.9 39 47 A A G X S+ 0 0 6 -3,-2.7 3,-1.1 1,-0.2 4,-0.5 0.766 81.0 73.2 -64.0 -25.5 10.9 -14.7 -2.0 40 48 A K G X S+ 0 0 52 -3,-2.0 3,-1.6 -4,-0.4 6,-0.3 0.888 84.7 64.7 -50.7 -44.2 13.4 -14.1 0.8 41 49 A N G < S+ 0 0 115 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.800 88.7 67.4 -52.1 -34.8 10.5 -13.3 3.0 42 50 A L G < S+ 0 0 38 -3,-1.1 2,-1.2 -4,-0.4 -1,-0.3 0.761 87.8 68.6 -60.0 -31.0 9.2 -16.9 2.7 43 51 A F S X S- 0 0 40 -3,-1.6 3,-2.9 -4,-0.5 4,-0.3 -0.744 76.8-163.9 -90.0 85.9 12.3 -18.3 4.6 44 52 A S G > S+ 0 0 105 -2,-1.2 3,-0.7 1,-0.3 -1,-0.2 0.709 81.4 64.6 -49.0 -31.4 11.2 -16.8 8.0 45 53 A Y G 3 S+ 0 0 83 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.434 82.4 80.3 -72.9 -2.1 14.8 -17.2 9.4 46 54 A L G < 0 0 42 -3,-2.9 -1,-0.2 -6,-0.3 -2,-0.2 0.883 360.0 360.0 -74.1 -39.7 16.2 -14.8 6.9 47 55 A K < 0 0 222 -3,-0.7 -2,-0.2 -4,-0.3 -1,-0.2 0.932 360.0 360.0 -53.5 360.0 15.1 -11.7 8.9 48 ! 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 49 60 A P 0 0 154 0, 0.0 4,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 24.5 -10.8 4.7 50 ! 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 51 62 A E 0 0 100 0, 0.0 -18,-0.1 0, 0.0 -22,-0.0 0.000 360.0 360.0 360.0 22.0 21.7 -13.7 1.9 52 63 A Q + 0 0 150 4,-0.0 5,-0.1 5,-0.0 -26,-0.0 0.520 360.0 154.7 -87.5 -9.3 24.5 -15.9 3.3 53 64 A N >> - 0 0 32 -4,-0.2 3,-0.9 1,-0.1 4,-0.8 0.250 46.1-136.1 -39.4 136.9 22.2 -18.1 5.4 54 65 A P T >4 S+ 0 0 104 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.878 101.3 55.8 -57.4 -47.1 23.3 -21.7 6.4 55 66 A K T 3> S+ 0 0 138 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.639 95.0 67.6 -62.8 -21.2 19.9 -23.3 5.7 56 67 A L H <> S+ 0 0 6 -3,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.925 92.1 59.9 -71.6 -40.5 19.7 -22.0 2.1 57 68 A K H S+ 0 0 63 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.870 109.6 56.8 -69.6 -32.5 21.0 -27.6 1.7 59 70 A H H X S+ 0 0 64 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.925 107.7 50.1 -58.9 -42.4 17.6 -26.4 0.2 60 71 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.953 113.9 42.8 -58.1 -54.2 19.4 -25.8 -3.0 61 72 A T H X S+ 0 0 39 -4,-2.0 4,-3.3 1,-0.2 5,-0.2 0.818 109.4 57.7 -67.5 -31.8 21.1 -29.2 -3.1 62 73 A T H X S+ 0 0 67 -4,-2.9 4,-3.5 2,-0.2 5,-0.4 0.954 106.2 50.3 -58.7 -49.2 17.9 -31.0 -2.0 63 74 A V H X S+ 0 0 18 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.935 114.6 44.5 -53.5 -50.5 16.2 -29.5 -5.1 64 75 A F H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.930 116.8 44.1 -58.9 -50.1 19.0 -30.7 -7.2 65 76 A V H X S+ 0 0 43 -4,-3.3 4,-2.8 1,-0.2 -2,-0.2 0.899 115.7 45.7 -66.2 -45.8 19.2 -34.2 -5.7 66 77 A M H X S+ 0 0 31 -4,-3.5 4,-2.3 -5,-0.2 -1,-0.2 0.861 111.9 52.8 -69.4 -33.3 15.5 -34.9 -5.6 67 78 A T H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.4 -2,-0.2 0.973 111.9 45.1 -63.1 -53.7 15.1 -33.6 -9.2 68 79 A C H X S+ 0 0 14 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.924 113.2 51.8 -54.3 -45.7 17.8 -36.0 -10.4 69 80 A E H X S+ 0 0 92 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.876 106.0 53.5 -57.2 -40.8 16.2 -38.8 -8.3 70 81 A S H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.900 105.4 55.1 -60.9 -41.3 12.8 -38.1 -9.9 71 82 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.919 110.5 45.5 -53.5 -48.1 14.4 -38.5 -13.3 72 83 A V H X S+ 0 0 56 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.918 117.0 43.5 -62.0 -48.7 15.7 -41.9 -12.3 73 84 A Q H X>S+ 0 0 32 -4,-2.5 4,-3.8 2,-0.2 6,-0.7 0.876 109.7 56.2 -67.9 -42.4 12.3 -43.0 -10.8 74 85 A L H X5S+ 0 0 14 -4,-3.3 4,-1.6 4,-0.2 -1,-0.2 0.924 113.9 40.4 -53.5 -48.7 10.3 -41.6 -13.7 75 86 A R H <5S+ 0 0 117 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.935 121.0 43.9 -67.3 -45.9 12.3 -43.7 -16.1 76 87 A K H <5S+ 0 0 179 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.919 136.7 6.8 -65.4 -46.7 12.4 -46.8 -13.8 77 88 A A H <5S- 0 0 58 -4,-3.8 -3,-0.2 2,-0.3 -2,-0.2 0.430 93.5-115.1-125.9 -3.6 8.8 -46.8 -12.6 78 89 A G S <> - 0 0 148 1,-0.1 4,-1.9 -2,-0.1 3,-0.5 -0.116 35.5-123.3 -41.8 129.7 8.0 -42.2 -0.0 84 95 A E H 3> S+ 0 0 117 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.779 110.7 49.7 -43.3 -35.6 4.4 -41.2 0.6 85 96 A S H 3> S+ 0 0 61 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.811 105.4 51.9 -84.2 -37.0 5.4 -39.7 4.0 86 97 A D H <> S+ 0 0 69 -3,-0.5 4,-2.2 2,-0.2 5,-0.2 0.880 112.3 50.6 -60.4 -39.0 8.4 -37.6 2.8 87 98 A L H X S+ 0 0 18 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.834 108.5 49.1 -71.3 -39.6 6.0 -36.1 0.3 88 99 A K H X S+ 0 0 89 -4,-1.4 4,-2.0 -5,-0.2 -1,-0.2 0.899 113.7 48.2 -64.3 -40.5 3.3 -35.3 2.8 89 100 A R H X S+ 0 0 150 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.883 115.1 42.3 -69.7 -43.3 5.9 -33.6 5.0 90 101 A I H X S+ 0 0 25 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.915 114.8 53.4 -68.1 -43.2 7.5 -31.5 2.3 91 102 A G H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.853 107.3 49.8 -60.3 -39.6 4.1 -30.7 0.9 92 103 A A H X S+ 0 0 43 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.911 108.9 50.2 -71.6 -41.5 2.8 -29.4 4.2 93 104 A I H X S+ 0 0 92 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.919 111.5 48.3 -64.9 -41.2 5.7 -27.1 5.0 94 105 A H H X>S+ 0 0 32 -4,-1.9 5,-2.5 1,-0.2 4,-0.6 0.903 111.5 50.7 -64.2 -42.8 5.5 -25.4 1.5 95 106 A F H <5S+ 0 0 97 -4,-1.8 3,-0.3 -5,-0.2 -1,-0.2 0.867 112.8 46.4 -56.7 -41.2 1.8 -25.0 1.9 96 107 A K H <5S+ 0 0 155 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.732 109.0 51.3 -84.7 -22.9 2.1 -23.3 5.3 97 108 A T H <5S- 0 0 55 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.547 118.3-107.3 -87.6 -4.4 5.0 -20.9 4.5 98 109 A G T <5 + 0 0 32 -4,-0.6 2,-0.6 -3,-0.3 -3,-0.2 0.793 54.0 169.0 86.0 31.3 3.0 -19.6 1.5 99 110 A V < - 0 0 21 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.2 -0.685 17.0-177.6 -72.6 119.2 5.1 -21.1 -1.3 100 111 A V >> - 0 0 72 -2,-0.6 4,-1.8 1,-0.0 3,-1.0 -0.609 43.1 -86.2-114.8 179.6 2.8 -20.5 -4.3 101 112 A N H 3> S+ 0 0 61 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.882 124.7 57.7 -54.4 -43.8 3.1 -21.4 -8.0 102 113 A E H 3> S+ 0 0 32 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.806 105.9 51.1 -57.7 -33.1 5.1 -18.3 -8.8 103 114 A H H <> S+ 0 0 18 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.942 111.3 45.1 -69.5 -50.4 7.8 -19.4 -6.3 104 115 A F H X S+ 0 0 17 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.796 116.8 49.6 -54.9 -29.8 8.1 -22.9 -7.7 105 116 A E H X S+ 0 0 27 -4,-1.8 4,-2.3 -5,-0.3 -2,-0.2 0.895 108.2 48.3 -85.8 -43.7 8.2 -21.3 -11.1 106 117 A V H X S+ 0 0 5 -4,-2.8 4,-3.1 2,-0.2 -2,-0.2 0.919 113.7 51.4 -58.7 -41.6 10.8 -18.7 -10.3 107 118 A T H X S+ 0 0 24 -4,-2.4 4,-3.7 2,-0.2 -2,-0.2 0.899 106.6 51.4 -64.9 -42.9 12.8 -21.6 -8.9 108 119 A R H X S+ 0 0 61 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.959 113.9 45.4 -54.2 -49.4 12.4 -23.7 -12.0 109 120 A F H X S+ 0 0 8 -4,-2.3 4,-2.6 75,-0.4 -2,-0.2 0.911 114.8 46.8 -63.7 -45.8 13.7 -20.8 -14.0 110 121 A A H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.928 110.9 53.6 -60.6 -46.2 16.5 -20.1 -11.6 111 122 A L H X S+ 0 0 0 -4,-3.7 4,-2.6 2,-0.2 -2,-0.2 0.946 110.3 46.3 -52.6 -51.1 17.4 -23.8 -11.6 112 123 A L H X S+ 0 0 7 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.936 113.9 47.5 -63.1 -44.5 17.6 -23.9 -15.3 113 124 A E H X S+ 0 0 28 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.860 111.1 51.7 -58.0 -42.6 19.8 -20.7 -15.5 114 125 A T H X S+ 0 0 4 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.904 112.9 45.5 -63.0 -43.9 22.0 -22.1 -12.7 115 126 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.902 111.5 51.5 -65.1 -42.6 22.5 -25.3 -14.7 116 127 A K H < S+ 0 0 95 -4,-2.8 -2,-0.2 1,-0.2 7,-0.2 0.913 114.2 44.6 -63.1 -40.0 23.1 -23.4 -18.0 117 128 A E H < S+ 0 0 100 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.765 115.4 48.6 -72.8 -24.2 25.7 -21.3 -16.3 118 129 A A H < S+ 0 0 45 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.2 0.911 128.2 17.5 -88.3 -46.2 27.4 -24.2 -14.5 119 130 A V >X + 0 0 4 -4,-2.5 3,-3.0 1,-0.1 4,-0.9 -0.470 69.6 157.0-120.4 60.3 27.7 -26.7 -17.3 120 131 A P T 34 S+ 0 0 81 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.795 74.6 63.7 -55.9 -25.5 27.3 -24.4 -20.4 121 132 A E T 34 S+ 0 0 138 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.515 108.3 38.2 -74.7 -10.1 29.3 -27.2 -22.2 122 133 A M T <4 S+ 0 0 53 -3,-3.0 -1,-0.2 -6,-0.1 5,-0.1 0.374 91.6 121.4-113.8 -5.3 26.4 -29.7 -21.7 123 134 A W < + 0 0 67 -4,-0.9 -7,-0.0 -3,-0.4 3,-0.0 -0.329 26.1 135.7 -67.1 141.9 23.7 -27.2 -22.1 124 135 A S > - 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0 0 28 -5,-2.1 2,-0.3 -6,-0.2 -1,-0.2 -0.473 11.9-174.4 -63.1 130.3 -0.6 -8.2 -8.0 252 111 B V >> - 0 0 68 -2,-0.2 4,-1.6 1,-0.0 3,-1.3 -0.789 40.8 -93.1-123.5 170.5 2.2 -8.8 -5.4 253 112 B N H 3> S+ 0 0 67 1,-0.3 4,-2.4 -2,-0.3 5,-0.2 0.850 122.5 59.2 -47.2 -43.9 5.8 -7.7 -5.0 254 113 B E H 3> S+ 0 0 26 1,-0.2 4,-3.3 2,-0.2 -1,-0.3 0.858 104.5 52.5 -61.2 -34.1 7.1 -10.9 -6.7 255 114 B H H <> S+ 0 0 16 -3,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.945 110.7 45.6 -60.8 -52.2 5.1 -9.8 -9.8 256 115 B F H X S+ 0 0 18 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.797 117.1 47.5 -57.2 -34.6 6.7 -6.4 -9.8 257 116 B E H X S+ 0 0 28 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.895 110.4 47.4 -77.3 -48.5 10.0 -8.1 -9.2 258 117 B V H X S+ 0 0 3 -4,-3.3 4,-3.0 -5,-0.2 5,-0.2 0.932 114.6 51.7 -54.0 -43.9 9.7 -10.8 -11.9 259 118 B T H X S+ 0 0 22 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.914 108.3 48.7 -61.1 -46.6 8.6 -7.9 -14.2 260 119 B R H X S+ 0 0 74 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.922 113.2 48.2 -56.0 -46.3 11.6 -5.8 -13.3 261 120 B F H X S+ 0 0 13 -4,-2.4 4,-2.9 -226,-0.4 -2,-0.2 0.945 113.6 46.5 -61.3 -48.9 13.9 -8.7 -14.0 262 121 B A H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.860 111.2 53.0 -61.0 -41.4 12.1 -9.5 -17.3 263 122 B L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.953 112.2 43.5 -58.8 -52.8 12.3 -5.8 -18.3 264 123 B L H X S+ 0 0 7 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.933 114.8 48.8 -64.8 -44.0 16.0 -5.5 -17.8 265 124 B E H X S+ 0 0 34 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.903 111.9 51.3 -57.7 -43.5 16.6 -8.9 -19.5 266 125 B T H X S+ 0 0 0 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.859 112.4 45.1 -60.5 -39.3 14.4 -7.6 -22.3 267 126 B I H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.928 111.1 52.9 -71.6 -43.7 16.4 -4.3 -22.6 268 127 B K H < S+ 0 0 108 -4,-3.1 -2,-0.2 1,-0.3 7,-0.2 0.934 115.3 41.7 -55.1 -50.7 19.8 -6.2 -22.4 269 128 B E H < S+ 0 0 100 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.720 115.5 51.4 -66.4 -26.1 18.6 -8.4 -25.3 270 129 B A H < S+ 0 0 32 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.2 0.923 128.3 14.2 -82.8 -44.5 17.1 -5.5 -27.2 271 130 B V >X + 0 0 2 -4,-2.9 3,-0.8 1,-0.1 4,-0.8 -0.646 67.5 162.1-125.0 75.0 20.1 -3.1 -27.2 272 131 B P T 34 S+ 0 0 81 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.828 76.7 62.1 -62.9 -26.4 23.1 -5.2 -26.1 273 132 B E T 34 S+ 0 0 138 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.1 0.788 108.6 40.1 -67.1 -33.0 25.3 -2.4 -27.5 274 133 B M T <4 S+ 0 0 58 -3,-0.8 -1,-0.2 -6,-0.1 5,-0.2 0.484 91.3 117.2 -92.8 -5.1 24.0 0.1 -25.0 275 134 B W < + 0 0 58 -4,-0.8 3,-0.1 -3,-0.3 -7,-0.0 -0.414 31.2 134.1 -70.7 142.9 23.9 -2.4 -22.2 276 135 B S S > S- 0 0 25 -2,-0.1 4,-2.2 1,-0.1 5,-0.3 -0.928 71.6 -91.7-173.6 157.9 26.2 -1.5 -19.2 277 136 B P H > S+ 0 0 106 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.894 128.9 53.6 -51.8 -37.7 25.8 -1.5 -15.5 278 137 B E H > S+ 0 0 94 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.920 106.6 50.6 -63.8 -42.9 24.8 2.1 -15.8 279 138 B M H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.957 113.1 45.2 -59.1 -53.6 22.1 1.2 -18.4 280 139 B K H X S+ 0 0 76 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.883 115.8 48.5 -52.4 -45.4 20.6 -1.5 -16.1 281 140 B N H X S+ 0 0 84 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.909 107.7 52.3 -66.9 -43.7 20.8 0.9 -13.1 282 141 B A H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.920 117.1 38.9 -63.4 -43.7 19.2 3.9 -14.8 283 142 B W H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.875 111.2 60.0 -69.4 -39.6 16.2 1.8 -15.8 284 143 B G H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.931 111.2 41.0 -50.8 -48.4 16.2 -0.1 -12.5 285 144 B V H X S+ 0 0 36 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.832 111.2 52.6 -76.0 -41.3 15.7 3.2 -10.7 286 145 B A H X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.910 114.5 46.8 -59.6 -37.5 13.2 4.8 -13.0 287 146 B Y H X S+ 0 0 11 -4,-2.5 4,-3.1 2,-0.2 3,-0.2 0.960 111.6 47.6 -69.2 -52.4 11.2 1.5 -12.6 288 147 B D H X S+ 0 0 59 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.924 110.4 53.3 -55.1 -46.9 11.4 1.3 -8.8 289 148 B Q H X S+ 0 0 88 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.850 113.7 42.3 -59.0 -38.1 10.5 4.9 -8.5 290 149 B L H X S+ 0 0 8 -4,-1.5 4,-2.6 -3,-0.2 -1,-0.2 0.862 112.0 53.1 -72.9 -41.5 7.3 4.4 -10.6 291 150 B V H X S+ 0 0 12 -4,-3.1 4,-3.4 2,-0.2 -2,-0.2 0.912 108.5 52.9 -59.5 -42.7 6.5 1.1 -8.9 292 151 B A H X S+ 0 0 52 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.923 109.5 46.9 -57.6 -49.2 6.8 3.0 -5.6 293 152 B A H X S+ 0 0 22 -4,-1.7 4,-0.7 1,-0.2 -2,-0.2 0.896 115.9 45.7 -62.9 -38.5 4.3 5.7 -6.8 294 153 B I H >< S+ 0 0 12 -4,-2.6 3,-1.4 2,-0.2 -2,-0.2 0.946 109.1 54.7 -67.3 -46.4 1.9 2.9 -8.1 295 154 B K H >< S+ 0 0 79 -4,-3.4 3,-2.3 1,-0.3 -2,-0.2 0.877 99.3 62.2 -55.5 -41.8 2.2 0.8 -4.9 296 155 B F H 3< S+ 0 0 158 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.791 108.7 43.2 -54.2 -31.3 1.2 3.9 -2.8 297 156 B E T << S+ 0 0 22 -3,-1.4 2,-1.5 -4,-0.7 -1,-0.3 0.289 83.4 107.4 -98.7 9.0 -2.2 3.8 -4.6 298 157 B M < + 0 0 36 -3,-2.3 -54,-0.1 -4,-0.2 -1,-0.1 -0.700 56.7 108.4 -86.9 87.4 -2.5 -0.0 -4.4 299 158 B K 0 0 111 -2,-1.5 -51,-0.1 -59,-0.2 -52,-0.1 -0.970 360.0 360.0-159.7 155.9 -5.3 0.1 -1.8 300 159 B P 0 0 145 0, 0.0 -56,-0.1 0, 0.0 -57,-0.0 -0.244 360.0 360.0 -61.5 360.0 -9.1 -0.6 -1.7