==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 07-AUG-79 1HCO . COMPND 2 MOLECULE: HEMOGLOBIN (CARBONMONOXY) (ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.BALDWIN . 287 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14454.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 69.7 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 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 45.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 2 0 0 2 0 0 1 1 0 0 2 0 3 1 0 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 0 168 0, 0.0 2,-1.4 0, 0.0 126,-0.0 0.000 360.0 360.0 360.0-141.0 5.7 17.2 7.3 2 2 A L - 0 0 32 71,-0.1 5,-0.2 4,-0.1 4,-0.1 -0.544 360.0-148.8 -91.4 69.0 9.0 17.7 5.6 3 3 A S >> - 0 0 44 -2,-1.4 3,-4.0 3,-0.1 4,-2.3 0.198 25.7 -94.2 -50.6 153.4 10.8 19.6 8.3 4 4 A P T 34 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.660 126.2 37.5 -23.1 -37.0 13.5 22.3 8.8 5 5 A A T 34 S+ 0 0 54 2,-0.1 4,-0.3 3,-0.1 -2,-0.1 0.375 108.0 56.2-105.6 1.5 15.9 19.5 9.2 6 6 A D T X> S+ 0 0 21 -3,-4.0 4,-1.6 2,-0.2 3,-0.7 0.725 104.4 59.7 -96.8 -36.6 14.9 16.7 6.8 7 7 A K T 3< S+ 0 0 67 -4,-2.3 -2,-0.1 1,-0.3 4,-0.1 0.423 107.3 48.5 -69.8 3.8 15.2 19.5 4.2 8 8 A T T 3> S+ 0 0 76 -5,-0.3 4,-0.8 2,-0.1 -1,-0.3 0.611 104.0 54.2-114.5 -24.8 18.8 19.6 5.3 9 9 A N H <> S+ 0 0 49 -3,-0.7 4,-1.3 -4,-0.3 -2,-0.2 0.747 116.4 41.5 -81.4 -25.7 19.7 16.0 5.3 10 10 A V H X S+ 0 0 5 -4,-1.6 4,-1.5 2,-0.2 5,-0.3 0.800 108.1 55.7 -88.8 -34.0 18.6 15.9 1.6 11 11 A K H 4 S+ 0 0 95 -5,-0.3 4,-0.3 1,-0.2 -2,-0.2 0.849 121.2 38.0 -65.7 -31.1 20.1 19.2 0.5 12 12 A A H X S+ 0 0 54 -4,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.744 111.1 50.7 -92.4 -25.6 23.2 17.5 1.9 13 13 A A H < S+ 0 0 8 -4,-1.3 4,-0.3 2,-0.2 -3,-0.2 0.746 118.1 42.5 -82.4 -27.2 23.0 13.8 1.0 14 14 A W T >X S+ 0 0 31 -4,-1.5 3,-1.2 2,-0.2 4,-1.2 0.787 103.7 71.5 -82.6 -32.1 22.3 14.9 -2.6 15 15 A G G >4 S+ 0 0 52 -5,-0.3 3,-1.4 -4,-0.3 -2,-0.2 0.950 107.6 34.9 -48.3 -66.4 25.1 17.6 -2.0 16 16 A K G 3< S+ 0 0 133 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.491 107.3 64.7 -66.2 -7.8 27.7 14.8 -2.1 17 17 A V G X4 S+ 0 0 1 -3,-1.2 3,-1.4 -4,-0.3 4,-0.5 0.588 79.2 121.2 -88.2 -13.6 26.1 12.5 -4.7 18 18 A G G X< + 0 0 32 -3,-1.4 2,-4.6 -4,-1.2 3,-3.0 0.708 60.7 36.9 -19.4-125.5 26.6 15.2 -7.3 19 19 A A G 3 S+ 0 0 114 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.539 124.2 53.9 -21.8 -9.2 28.7 14.6 -10.5 20 20 A H G X> + 0 0 75 -2,-4.6 3,-2.8 -3,-1.4 4,-2.2 0.615 64.7 107.8-106.0 -15.9 27.0 11.1 -10.2 21 21 A A H <> S+ 0 0 19 -3,-3.0 4,-1.7 -4,-0.5 -1,-0.1 0.702 85.3 52.9 -34.2 -30.7 23.3 11.7 -10.0 22 22 A G H 34 S+ 0 0 23 -4,-0.2 -1,-0.3 2,-0.2 38,-0.2 0.702 105.9 46.5 -84.0 -22.4 23.0 10.3 -13.5 23 23 A E H <> S+ 0 0 126 -3,-2.8 4,-0.5 2,-0.1 3,-0.3 0.781 117.5 50.5 -85.7 -33.9 24.9 7.0 -13.1 24 24 A Y H X S+ 0 0 21 -4,-2.2 4,-1.5 1,-0.2 3,-0.4 0.871 103.2 52.9 -71.2 -40.3 22.8 6.6 -10.0 25 25 A G H < S+ 0 0 3 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.1 0.621 115.5 45.2 -72.3 -11.4 19.3 7.3 -11.4 26 26 A A H > S+ 0 0 8 -3,-0.3 4,-1.3 -4,-0.2 -1,-0.2 0.528 104.7 58.0-106.1 -12.1 20.1 4.7 -14.0 27 27 A E H X S+ 0 0 36 -4,-0.5 4,-1.4 -3,-0.4 -2,-0.2 0.755 108.9 51.6 -84.8 -28.7 21.5 2.1 -11.6 28 28 A A H < S+ 0 0 0 -4,-1.5 4,-0.5 2,-0.2 -1,-0.2 0.497 105.1 50.3 -85.2 -6.0 18.1 2.4 -9.9 29 29 A L H >> S+ 0 0 3 2,-0.2 4,-3.3 3,-0.1 3,-1.4 0.849 110.2 53.6 -90.9 -57.1 15.9 1.8 -13.0 30 30 A E H 3X S+ 0 0 41 -4,-1.3 4,-2.0 1,-0.3 -2,-0.2 0.857 110.3 47.3 -40.2 -46.4 18.1 -1.3 -13.6 31 31 A R H 3X S+ 0 0 3 -4,-1.4 4,-2.0 2,-0.2 -1,-0.3 0.776 113.6 45.4 -70.0 -29.1 17.3 -2.5 -10.1 32 32 A M H <> S+ 0 0 8 -3,-1.4 4,-1.8 -4,-0.5 7,-0.3 0.841 113.2 51.3 -82.4 -36.1 13.6 -1.9 -10.3 33 33 A F H < S+ 0 0 3 -4,-3.3 -2,-0.2 2,-0.2 7,-0.2 0.873 116.3 41.6 -67.6 -36.9 13.4 -3.5 -13.7 34 34 A L H < S+ 0 0 64 -4,-2.0 -2,-0.2 -5,-0.4 -3,-0.2 0.937 122.2 35.1 -76.3 -50.4 15.3 -6.5 -12.4 35 35 A S H < S+ 0 0 9 -4,-2.0 -3,-0.2 1,-0.3 -2,-0.2 0.814 125.0 34.8 -75.9 -34.9 13.6 -7.0 -9.0 36 36 A F S >< S- 0 0 41 -4,-1.8 3,-1.3 -5,-0.2 -1,-0.3 -0.838 70.9-177.7-122.1 86.5 10.0 -6.0 -9.6 37 37 A P G > + 0 0 70 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.736 68.2 82.2 -59.2 -24.6 9.7 -7.3 -13.2 38 38 A T G 3 S+ 0 0 97 1,-0.3 -5,-0.1 2,-0.2 -3,-0.0 0.411 80.6 62.0 -63.2 0.5 6.1 -5.9 -13.3 39 39 A T G X S+ 0 0 3 -3,-1.3 3,-1.6 -7,-0.3 4,-0.4 0.534 79.8 82.5-101.6 -11.7 7.3 -2.4 -14.1 40 40 A K G X + 0 0 87 -3,-1.9 3,-2.1 1,-0.3 -2,-0.2 0.868 69.2 86.2 -59.1 -35.7 8.8 -3.4 -17.4 41 41 A T G 3 S+ 0 0 102 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.728 90.0 47.1 -35.4 -33.7 5.3 -3.2 -18.8 42 42 A Y G < S+ 0 0 68 -3,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.678 104.9 54.6 -89.6 -19.2 5.9 0.6 -19.4 43 43 A F X + 0 0 39 -3,-2.1 3,-1.0 -4,-0.4 -1,-0.2 -0.582 58.6 141.8-115.4 63.6 9.4 0.7 -21.1 44 44 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.631 74.7 56.9 -74.3 -15.7 8.5 -1.7 -24.0 45 45 A H T 3 S+ 0 0 121 -3,-0.2 2,-0.3 2,-0.1 -2,-0.1 0.093 93.6 87.2-103.4 16.4 10.6 0.6 -26.1 46 46 A F S < S- 0 0 35 -3,-1.0 2,-0.8 -6,-0.1 -3,-0.0 -0.751 78.4-130.5-111.5 162.3 13.7 0.1 -23.8 47 47 A D - 0 0 89 -2,-0.3 8,-0.3 2,-0.2 7,-0.2 -0.971 28.2-161.1-108.5 122.0 16.6 -2.7 -24.0 48 48 A L + 0 0 49 -2,-0.8 2,-0.2 6,-0.1 -1,-0.1 -0.236 51.6 134.6-100.6 34.7 15.8 -2.9 -20.3 49 49 A S S S- 0 0 52 1,-0.1 6,-0.2 2,-0.0 -2,-0.2 -0.547 70.9-104.6 -90.7 151.0 19.2 -4.5 -20.9 50 50 A H S S+ 0 0 139 1,-0.2 -1,-0.1 -2,-0.2 -20,-0.0 0.426 113.9 26.6 -51.8 -16.4 22.2 -3.7 -18.8 51 51 A G S S+ 0 0 43 5,-0.0 -1,-0.2 0, 0.0 5,-0.2 0.487 89.2 150.0-117.9 -27.8 24.5 -1.4 -20.8 52 52 A S > - 0 0 11 1,-0.2 4,-1.0 3,-0.1 5,-0.1 0.394 43.8-148.1 -8.3 125.4 21.4 -0.2 -22.5 53 53 A A H > S+ 0 0 77 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.629 93.7 60.7 -83.5 -14.4 21.9 3.5 -23.5 54 54 A Q H > S+ 0 0 91 2,-0.2 4,-1.0 -7,-0.2 -1,-0.2 0.865 107.8 41.8 -78.9 -39.3 18.2 4.2 -23.1 55 55 A V H > S+ 0 0 9 -8,-0.3 4,-0.9 -6,-0.2 -2,-0.2 0.804 116.8 49.8 -75.9 -31.3 18.1 3.3 -19.4 56 56 A K H X S+ 0 0 118 -4,-1.0 4,-1.1 1,-0.2 3,-0.2 0.875 111.8 49.8 -72.8 -37.9 21.5 5.1 -19.0 57 57 A G H < S+ 0 0 36 -4,-1.5 4,-0.4 1,-0.2 -2,-0.2 0.719 111.0 48.2 -73.1 -22.2 19.9 8.1 -20.8 58 58 A H H X S+ 0 0 46 -4,-1.0 4,-2.0 2,-0.2 5,-0.3 0.624 97.8 66.7 -92.1 -16.8 16.8 8.0 -18.6 59 59 A G H X S+ 0 0 0 -4,-0.9 4,-3.4 -3,-0.2 3,-0.4 0.950 99.4 55.8 -66.4 -47.5 18.8 7.9 -15.3 60 60 A K H < S+ 0 0 141 -4,-1.1 4,-0.2 1,-0.2 -1,-0.2 0.831 110.4 44.8 -51.4 -36.3 19.9 11.3 -16.4 61 61 A K H > S+ 0 0 134 -4,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.788 113.2 45.5 -78.4 -32.9 16.2 12.3 -16.6 62 62 A V H X S+ 0 0 31 -4,-2.0 4,-0.9 -3,-0.4 -2,-0.2 0.866 116.7 49.6 -78.4 -38.4 15.0 10.8 -13.3 63 63 A A H X S+ 0 0 1 -4,-3.4 4,-0.8 -5,-0.3 -2,-0.2 0.581 106.7 54.0 -74.3 -12.1 18.0 12.3 -11.7 64 64 A D H > S+ 0 0 119 -4,-0.2 4,-0.7 -5,-0.2 -1,-0.2 0.761 111.8 44.6 -91.7 -29.9 17.4 15.7 -13.2 65 65 A A H X S+ 0 0 32 -4,-1.1 4,-0.6 2,-0.2 -2,-0.2 0.603 106.6 58.8 -86.1 -17.0 13.9 15.8 -11.8 66 66 A L H X S+ 0 0 12 -4,-0.9 4,-1.8 2,-0.2 3,-0.3 0.909 108.0 49.1 -76.4 -46.6 15.0 14.5 -8.4 67 67 A T H X S+ 0 0 54 -4,-0.8 4,-1.3 2,-0.2 -2,-0.2 0.728 104.1 54.2 -64.3 -27.9 17.3 17.5 -8.2 68 68 A N H < S+ 0 0 73 -4,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.768 111.8 50.1 -77.3 -26.4 14.8 20.2 -9.2 69 69 A A H < S+ 0 0 0 -4,-0.6 -2,-0.2 -3,-0.3 6,-0.2 0.866 107.3 50.3 -75.8 -38.6 12.7 18.7 -6.3 70 70 A V H < S+ 0 0 14 -4,-1.8 2,-0.6 1,-0.2 3,-0.4 0.811 116.4 48.1 -67.7 -28.8 15.7 18.9 -3.9 71 71 A A S < S+ 0 0 48 -4,-1.3 -1,-0.2 1,-0.2 0, 0.0 -0.970 121.3 27.7-113.1 124.0 15.9 22.4 -5.1 72 72 A H S > S+ 0 0 113 -2,-0.6 3,-1.6 7,-0.0 7,-0.2 0.493 81.0 139.2 95.4 8.5 12.4 23.8 -4.9 73 73 A V T 3 + 0 0 18 -3,-0.4 3,-0.5 1,-0.3 -2,-0.1 0.613 60.0 66.8 -60.9 -13.8 11.5 21.4 -2.1 74 74 A D T 3 S+ 0 0 119 1,-0.3 -1,-0.3 2,-0.1 -4,-0.1 0.249 119.5 24.7 -90.3 12.1 9.5 23.9 -0.1 75 75 A D <> + 0 0 65 -3,-1.6 4,-0.9 -6,-0.2 -1,-0.3 -0.259 64.0 155.9-175.1 75.5 7.2 23.7 -3.1 76 76 A M H > + 0 0 9 -3,-0.5 4,-2.4 2,-0.2 3,-0.4 0.910 68.6 75.5 -73.0 -43.4 7.2 20.5 -5.1 77 77 A P H > S+ 0 0 84 0, 0.0 4,-0.5 0, 0.0 3,-0.5 0.827 102.5 37.4 -28.9 -87.3 3.7 21.0 -6.3 78 78 A N H 4 S+ 0 0 123 1,-0.2 3,-0.3 2,-0.2 -2,-0.2 0.669 117.2 45.4 -37.6 -43.1 4.8 23.7 -8.8 79 79 A A H < S+ 0 0 35 -4,-0.9 3,-0.3 -3,-0.4 -1,-0.2 0.892 114.9 44.7 -77.3 -40.5 8.1 22.5 -10.0 80 80 A L H >X S+ 0 0 9 -4,-2.4 3,-1.5 -3,-0.5 4,-0.6 0.325 79.5 116.2 -87.6 9.1 7.2 18.9 -10.7 81 81 A S T >< S+ 0 0 73 -4,-0.5 3,-0.9 -3,-0.3 5,-0.2 0.816 71.4 46.1 -41.8 -56.2 3.8 19.6 -12.4 82 82 A A T 3> S+ 0 0 71 -3,-0.3 4,-0.6 1,-0.3 3,-0.3 0.461 112.2 52.5 -72.8 -3.5 4.3 18.3 -16.0 83 83 A L H <> S+ 0 0 66 -3,-1.5 4,-1.0 3,-0.2 -1,-0.3 0.453 107.0 57.5-105.3 -11.6 5.9 15.1 -14.7 84 84 A S H << S+ 0 0 12 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.1 -0.116 112.5 35.8-109.1 34.1 2.7 14.9 -12.6 85 85 A D H >>S+ 0 0 82 -3,-0.3 4,-3.9 3,-0.1 5,-1.7 0.242 118.0 51.7-146.9 -41.7 0.3 15.0 -15.5 86 86 A L H <>S+ 0 0 57 -4,-0.6 5,-2.5 3,-0.2 6,-0.4 0.972 116.2 40.2 -66.0 -53.8 2.6 13.0 -17.8 87 87 A H T <5S+ 0 0 50 -4,-1.0 6,-1.7 1,-0.2 5,-0.2 0.882 132.6 27.1 -61.0 -40.3 3.0 10.2 -15.2 88 88 A A T 45S+ 0 0 4 4,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.646 132.5 28.3 -99.7 -17.0 -0.7 10.5 -14.2 89 89 A H T <5S+ 0 0 84 -4,-3.9 -3,-0.2 3,-0.0 -2,-0.1 0.790 128.8 30.7-105.6 -67.7 -2.6 11.8 -17.2 90 90 A K T - 0 0 88 -2,-0.4 3,-2.2 1,-0.2 4,-0.1 -0.555 27.5-131.0 -67.4 128.1 0.0 2.5 -11.0 95 95 A P T >> S+ 0 0 64 0, 0.0 3,-0.8 0, 0.0 4,-0.6 0.481 100.9 74.6 -62.7 -4.6 1.1 4.5 -8.0 96 96 A V H 3> S+ 0 0 76 1,-0.2 4,-1.1 2,-0.2 -2,-0.1 0.626 86.2 70.5 -80.4 -14.7 2.4 1.5 -6.1 97 97 A N H <> S+ 0 0 18 -3,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.596 89.5 56.8 -77.5 -12.0 5.3 1.8 -8.6 98 98 A F H <> S+ 0 0 17 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.775 99.8 59.9 -87.0 -30.2 6.6 5.0 -7.0 99 99 A K H X S+ 0 0 127 -4,-0.6 4,-1.4 1,-0.2 -2,-0.2 0.939 109.0 45.3 -61.3 -45.9 7.0 3.1 -3.8 100 100 A L H X S+ 0 0 32 -4,-1.1 4,-0.9 2,-0.2 -1,-0.2 0.665 112.8 43.3 -72.7 -22.3 9.3 0.8 -5.5 101 101 A L H >X S+ 0 0 35 -4,-0.7 4,-3.2 2,-0.2 3,-0.7 0.859 110.6 61.4 -85.7 -46.1 11.6 3.1 -7.5 102 102 A S H 3X S+ 0 0 20 -4,-2.1 4,-1.0 1,-0.3 -2,-0.2 0.874 108.8 42.9 -41.5 -45.0 11.6 5.1 -4.3 103 103 A H H 3X S+ 0 0 13 -4,-1.4 4,-0.9 2,-0.2 -1,-0.3 0.755 111.6 48.9 -76.6 -28.2 13.1 2.0 -2.7 104 104 A C H << S+ 0 0 0 -4,-0.9 4,-0.5 -3,-0.7 -2,-0.2 0.797 106.9 59.9 -80.2 -30.2 15.7 1.0 -5.3 105 105 A L H X S+ 0 0 12 -4,-3.2 4,-1.2 1,-0.2 3,-0.3 0.889 109.0 43.2 -63.5 -38.5 16.8 4.7 -5.3 106 106 A L H X S+ 0 0 2 -4,-1.0 4,-1.7 -5,-0.3 -1,-0.2 0.708 105.7 59.1 -80.0 -21.4 17.6 4.3 -1.6 107 107 A V H X S+ 0 0 0 -4,-0.9 4,-0.8 1,-0.2 -1,-0.2 0.577 112.0 47.9 -80.7 -9.0 19.3 0.9 -2.1 108 108 A T H > S+ 0 0 0 -4,-0.5 4,-0.6 -3,-0.3 -2,-0.2 0.756 106.6 47.7-100.4 -31.2 21.4 3.0 -4.3 109 109 A L H >X S+ 0 0 8 -4,-1.2 4,-2.7 2,-0.2 3,-2.4 0.980 116.4 53.5 -69.0 -61.7 22.3 6.0 -2.2 110 110 A A H 3< S+ 0 0 1 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.786 108.7 44.6 -33.5 -53.0 23.0 3.3 0.3 111 111 A A H 3< S+ 0 0 6 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.505 123.0 34.4 -78.3 -5.3 25.4 1.3 -1.9 112 112 A H H << S+ 0 0 41 -3,-2.4 -2,-0.2 -4,-0.6 -1,-0.2 0.474 122.5 47.8-121.3 -15.9 27.4 4.2 -3.2 113 113 A L X + 0 0 21 -4,-2.7 4,-1.2 -5,-0.2 3,-0.5 -0.227 55.9 155.2-131.6 55.9 27.2 6.3 -0.0 114 114 A P T 4 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.512 71.1 42.1 -48.9 -28.1 28.0 4.7 3.4 115 115 A A T 4 S+ 0 0 82 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 0.738 118.0 44.8 -94.9 -28.5 29.1 7.3 5.9 116 116 A E T 4 S+ 0 0 42 -3,-0.5 2,-1.8 1,-0.2 5,-0.1 0.659 96.0 82.9 -86.9 -19.8 26.6 10.0 4.9 117 117 A F < + 0 0 3 -4,-1.2 -1,-0.2 -7,-0.1 -4,-0.0 -0.397 63.4 156.2 -83.9 60.6 23.9 7.3 4.9 118 118 A T > - 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0 0 55 -3,-0.4 2,-0.5 11,-0.1 -1,-0.1 -0.815 67.0 -21.4 125.8-165.4 13.4 1.8 26.2 189 47 B D + 0 0 100 -2,-0.3 3,-0.0 6,-0.2 -4,-0.0 -0.724 56.8 164.3 -81.9 129.4 14.0 5.3 25.0 190 48 B L + 0 0 17 -2,-0.5 -1,-0.1 1,-0.0 6,-0.1 0.015 40.7 104.3-134.2 21.4 13.2 5.1 21.3 191 49 B S S S+ 0 0 94 4,-0.1 -1,-0.0 5,-0.0 -2,-0.0 0.562 74.6 31.6 -87.1 -11.5 12.9 8.9 20.7 192 50 B T S > S- 0 0 67 -3,-0.0 3,-1.0 1,-0.0 4,-0.1 -0.941 89.9-110.8-140.5 145.8 15.9 10.3 18.9 193 51 B P G >> S+ 0 0 48 0, 0.0 4,-1.4 0, 0.0 3,-1.1 0.733 111.3 60.9 -53.1 -32.9 17.7 7.9 16.4 194 52 B D G 34 S+ 0 0 140 1,-0.2 4,-0.1 2,-0.2 -3,-0.0 0.831 97.6 58.8 -66.3 -34.8 20.9 7.5 18.4 195 53 B A G <4 S+ 0 0 28 -3,-1.0 -1,-0.2 2,-0.1 -6,-0.2 0.312 108.3 45.3 -80.0 9.4 19.0 5.9 21.4 196 54 B V T X4 S+ 0 0 1 -3,-1.1 3,-1.7 -6,-0.1 2,-0.4 0.687 105.0 55.6-110.5 -71.8 17.6 3.1 19.3 197 55 B M T 3< S+ 0 0 62 -4,-1.4 -2,-0.1 1,-0.3 -3,-0.1 0.446 116.9 42.1 -42.7 2.4 20.7 2.0 17.3 198 56 B G T 3 S+ 0 0 58 -2,-0.4 -1,-0.3 -4,-0.1 3,-0.1 -0.299 77.6 124.2-146.1 46.9 22.3 1.6 20.7 199 57 B N <> - 0 0 13 -3,-1.7 4,-1.1 1,-0.2 3,-0.3 -0.942 52.9-154.3-108.7 131.5 19.5 -0.1 22.6 200 58 B P H > S+ 0 0 77 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.674 100.1 59.0 -80.8 -18.2 21.2 -3.1 23.7 201 59 B K H > S+ 0 0 105 2,-0.2 4,-0.8 1,-0.2 -13,-0.0 0.630 105.2 42.0 -82.9 -16.0 17.6 -4.2 23.6 202 60 B V H > S+ 0 0 1 -3,-0.3 4,-0.8 -6,-0.3 -32,-0.2 0.597 114.4 53.5-101.1 -20.5 17.1 -3.4 19.9 203 61 B K H < S+ 0 0 127 -4,-1.1 4,-0.4 2,-0.1 -2,-0.2 0.793 110.1 49.9 -81.3 -32.5 20.4 -5.0 19.1 204 62 B A H >X S+ 0 0 53 -4,-1.2 4,-0.9 2,-0.2 3,-0.6 0.882 109.2 45.1 -74.4 -42.0 19.3 -8.1 21.0 205 63 B H H 3X S+ 0 0 80 -4,-0.8 4,-1.5 1,-0.2 3,-0.3 0.826 107.4 62.6 -71.5 -30.9 15.9 -8.8 19.4 206 64 B G H 3X S+ 0 0 0 -4,-0.8 4,-0.6 1,-0.2 5,-0.3 0.694 95.8 57.9 -68.1 -19.5 17.5 -8.2 16.0 207 65 B K H X> S+ 0 0 68 -3,-0.6 4,-0.8 -4,-0.4 3,-0.7 0.860 102.1 55.1 -76.8 -36.5 19.8 -11.1 16.4 208 66 B K H 3X S+ 0 0 138 -4,-0.9 4,-1.1 -3,-0.3 -2,-0.2 0.915 111.6 48.7 -60.8 -42.1 16.8 -13.3 16.9 209 67 B V H 3< S+ 0 0 40 -4,-1.5 -1,-0.2 2,-0.3 -2,-0.2 0.501 103.8 48.1 -79.8 -8.5 15.6 -11.9 13.6 210 68 B L H XX S+ 0 0 3 -3,-0.7 4,-2.1 -4,-0.6 3,-1.6 0.559 108.0 78.8 -92.9 -22.3 18.6 -12.3 11.2 211 69 B G H >X S+ 0 0 24 -4,-0.8 4,-0.9 -5,-0.3 3,-0.6 0.933 97.3 29.4 -41.7 -76.6 17.8 -15.4 13.2 212 70 B A H 3< S+ 0 0 27 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.175 108.8 65.2 -74.4 15.9 14.9 -16.5 11.1 213 71 B F H <> S+ 0 0 18 -3,-1.6 4,-6.2 2,-0.2 5,-0.3 0.674 106.0 53.3 -98.9 -36.0 15.9 -15.1 7.7 214 72 B S H << S+ 0 0 53 -4,-2.1 4,-0.3 -3,-0.6 -2,-0.2 0.896 104.0 49.5 -61.9 -43.2 18.6 -17.7 8.3 215 73 B D T < S+ 0 0 91 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.779 123.8 37.2 -67.2 -23.9 16.2 -20.5 8.9 216 74 B G T >4 S+ 0 0 0 -5,-0.2 3,-1.1 1,-0.1 4,-0.3 0.910 94.7 73.8 -90.7 -55.4 14.7 -19.2 5.7 217 75 B L T 3< S+ 0 0 7 -4,-6.2 -3,-0.2 1,-0.3 -1,-0.1 0.647 121.9 22.1 -37.0 -10.8 17.6 -18.2 3.5 218 76 B A T 3 S+ 0 0 60 -4,-0.3 -1,-0.3 -5,-0.3 -2,-0.1 -0.349 110.9 60.3-163.2 73.9 17.8 -22.0 3.3 219 77 B H X + 0 0 108 -3,-1.1 3,-1.8 3,-0.1 6,-0.2 -0.207 66.1 149.2 175.6 22.2 14.6 -24.0 4.1 220 78 B L T 3 + 0 0 14 -4,-0.3 3,-0.1 1,-0.3 4,-0.1 0.477 49.6 83.4 -55.0 1.9 13.4 -22.0 1.1 221 79 B D T 3 S+ 0 0 145 2,-0.1 2,-0.5 -5,-0.1 -1,-0.3 0.609 109.3 8.6 -85.8 -13.8 11.3 -25.0 0.5 222 80 B N < + 0 0 89 -3,-1.8 -3,-0.1 -6,-0.1 60,-0.0 -0.602 69.1 167.1-150.3 157.9 8.3 -24.4 2.7 223 81 B L S > S+ 0 0 5 -2,-0.5 4,-0.8 -3,-0.1 3,-0.2 -0.156 80.9 71.1-150.4 -28.0 9.4 -20.9 3.6 224 82 B K T 4 S+ 0 0 123 1,-0.2 -4,-0.1 2,-0.1 61,-0.0 0.718 99.7 32.4 -64.2 -29.5 5.8 -21.6 4.7 225 83 B G T 4 S+ 0 0 35 -6,-0.2 3,-0.3 2,-0.2 4,-0.3 0.536 101.5 69.7-107.2 -10.4 6.3 -24.0 7.6 226 84 B T T 4 S+ 0 0 31 1,-0.2 3,-0.2 -7,-0.2 4,-0.2 0.832 112.2 43.4 -73.4 -31.3 9.6 -22.9 9.1 227 85 B F S X S+ 0 0 3 -4,-0.8 4,-2.4 1,-0.1 3,-0.3 0.358 73.1 105.9 -97.5 6.1 7.3 -20.0 10.0 228 86 B A H > S+ 0 0 55 -3,-0.3 4,-1.9 1,-0.2 5,-0.2 0.927 87.5 46.2 -48.4 -56.2 3.9 -21.2 11.2 229 87 B T H > S+ 0 0 102 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.795 112.6 47.0 -58.5 -36.4 4.6 -20.4 14.9 230 88 B L H > S+ 0 0 61 -3,-0.3 4,-4.8 2,-0.2 5,-0.3 0.844 113.9 48.8 -76.4 -35.6 6.0 -16.9 14.4 231 89 B S H X S+ 0 0 4 -4,-2.4 4,-2.2 2,-0.3 5,-0.5 0.819 109.9 50.4 -72.1 -30.4 3.1 -16.0 12.1 232 90 B E H X S+ 0 0 119 -4,-1.9 4,-1.6 -5,-0.3 -2,-0.2 0.950 118.0 44.9 -67.9 -47.4 0.8 -17.4 14.7 233 91 B L H <>S+ 0 0 66 -4,-2.1 5,-0.6 -5,-0.2 4,-0.3 0.921 118.2 37.1 -58.3 -54.6 2.9 -15.1 16.8 234 92 B H H <5S+ 0 0 49 -4,-4.8 6,-2.5 3,-0.2 -3,-0.2 0.793 124.5 40.5 -70.0 -32.5 3.0 -12.0 14.7 235 93 B C H <5S+ 0 0 4 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.935 124.4 21.2 -84.2 -53.9 -0.5 -12.3 13.4 236 94 B D T <5S+ 0 0 77 -4,-1.6 -1,-0.1 -5,-0.5 -2,-0.1 -0.064 128.9 46.0-109.1 29.2 -3.1 -13.4 16.0 237 95 B K T 5S+ 0 0 148 -4,-0.3 -3,-0.2 -6,-0.2 -4,-0.1 0.548 131.7 9.2-135.6 -41.5 -1.0 -12.3 18.9 238 96 B L S - 0 0 98 -2,-0.3 3,-1.5 1,-0.1 4,-0.2 -0.620 27.4-114.0 -79.8 142.8 -0.5 -5.7 9.8 242 100 B P T 3 S+ 0 0 29 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.486 106.9 64.1 -57.7 -10.7 1.2 -7.7 7.0 243 101 B E T 3> S+ 0 0 88 1,-0.2 4,-0.7 2,-0.2 -2,-0.0 0.283 88.6 67.8 -96.5 7.7 2.8 -4.9 5.1 244 102 B N H <> S+ 0 0 29 -3,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.372 93.6 65.3 -99.9 -4.3 5.1 -4.0 8.0 245 103 B F H > S+ 0 0 19 -3,-0.3 4,-0.7 -4,-0.2 -2,-0.2 0.769 103.9 42.2 -85.5 -28.9 6.4 -7.4 7.0 246 104 B R H > S+ 0 0 72 -4,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.738 107.0 58.6 -89.2 -25.0 7.6 -5.9 3.7 247 105 B L H X S+ 0 0 19 -4,-0.7 4,-2.6 1,-0.2 5,-0.2 0.921 108.5 50.7 -67.6 -44.1 8.9 -2.7 5.2 248 106 B L H X S+ 0 0 36 -4,-1.0 4,-0.6 2,-0.2 -2,-0.2 0.753 112.9 39.0 -65.1 -30.4 11.2 -4.9 7.3 249 107 B G H X S+ 0 0 1 -4,-0.7 4,-1.3 2,-0.2 -1,-0.2 0.775 116.2 58.3 -87.4 -32.8 12.7 -7.2 4.6 250 108 B N H X S+ 0 0 30 -4,-1.6 4,-1.0 1,-0.2 -2,-0.2 0.921 110.1 38.9 -61.4 -46.2 12.8 -4.0 2.5 251 109 B V H X S+ 0 0 1 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.757 108.0 64.6 -75.9 -24.1 14.9 -2.1 4.9 252 110 B L H X S+ 0 0 3 -4,-0.6 4,-0.7 -5,-0.2 -1,-0.2 0.834 103.8 48.5 -66.0 -31.4 16.9 -5.2 5.6 253 111 B V H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.812 104.1 56.7 -77.2 -31.7 17.9 -5.0 1.9 254 112 B C H X S+ 0 0 2 -4,-1.0 4,-1.9 1,-0.2 -2,-0.2 0.853 113.0 45.3 -66.4 -33.4 18.9 -1.3 2.3 255 113 B V H X S+ 0 0 1 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.659 107.2 53.5 -82.7 -18.5 21.2 -2.6 5.0 256 114 B L H X S+ 0 0 3 -4,-0.7 4,-1.4 2,-0.2 -2,-0.2 0.862 116.4 43.9 -80.8 -38.8 22.5 -5.6 3.0 257 115 B A H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.862 107.2 56.5 -71.2 -38.6 23.4 -2.9 0.4 258 116 B H H < S+ 0 0 33 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.893 114.4 41.9 -62.3 -39.5 24.8 -0.3 2.8 259 117 B H H < S+ 0 0 96 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.722 120.0 35.8 -81.4 -25.5 27.2 -2.9 4.0 260 118 B F H >< S- 0 0 46 -4,-1.4 3,-1.8 1,-0.2 -1,-0.2 0.395 83.6-174.9-107.7 -0.0 28.5 -4.7 0.9 261 119 B G G >< + 0 0 18 -4,-1.3 3,-1.8 1,-0.2 -1,-0.2 -0.040 65.9 12.6 43.1-131.3 28.4 -1.7 -1.4 262 120 B K G 3 S+ 0 0 132 1,-0.3 -1,-0.2 -151,-0.2 -151,-0.0 0.596 118.3 68.1 -49.2 -19.1 29.2 -2.4 -5.0 263 121 B E G < S+ 0 0 125 -3,-1.8 2,-1.0 1,-0.2 -1,-0.3 0.306 75.5 82.6 -87.7 9.5 28.9 -6.2 -4.7 264 122 B F S < S+ 0 0 0 -3,-1.8 -1,-0.2 -7,-0.1 5,-0.1 -0.722 73.4 179.3-107.8 69.7 25.2 -6.0 -4.1 265 123 B T - 0 0 41 -2,-1.0 -2,-0.1 1,-0.1 5,-0.1 -0.105 40.4-103.3 -62.9 179.3 25.0 -5.8 -7.9 266 124 B P S >> S+ 0 0 13 0, 0.0 4,-3.0 0, 0.0 3,-0.5 0.733 120.7 55.2 -82.4 -25.0 21.4 -5.6 -9.0 267 125 B P T 34 S+ 0 0 71 0, 0.0 4,-0.5 0, 0.0 -115,-0.1 0.702 110.2 55.1 -78.6 -19.5 20.7 -9.2 -10.2 268 126 B V T 34 S+ 0 0 21 2,-0.2 4,-0.1 1,-0.1 -3,-0.1 0.543 110.1 40.8 -88.3 -8.2 22.0 -9.8 -6.7 269 127 B Q T X> S+ 0 0 0 -3,-0.5 3,-2.9 2,-0.1 4,-1.2 0.780 106.8 65.4-100.2 -49.5 19.4 -7.6 -5.0 270 128 B A T 3< S+ 0 0 5 -4,-3.0 4,-0.2 1,-0.3 -2,-0.2 0.695 100.6 51.0 -43.3 -25.6 16.8 -8.9 -7.3 271 129 B A T 3> S+ 0 0 0 -4,-0.5 4,-1.2 1,-0.2 -1,-0.3 0.713 107.3 53.0 -86.4 -24.3 17.1 -12.3 -5.8 272 130 B Y H <> S+ 0 0 3 -3,-2.9 4,-0.8 2,-0.2 -2,-0.2 0.603 99.6 59.8 -86.2 -13.8 16.8 -10.9 -2.2 273 131 B Q H X S+ 0 0 8 -4,-1.2 4,-1.2 3,-0.2 -1,-0.2 0.684 108.1 51.2 -83.6 -20.3 13.5 -9.1 -3.0 274 132 B K H > S+ 0 0 95 -5,-0.4 4,-0.6 -4,-0.2 -2,-0.2 0.868 110.6 42.4 -82.2 -39.7 12.4 -12.6 -3.8 275 133 B V H >X S+ 0 0 2 -4,-1.2 3,-7.1 2,-0.2 4,-0.8 0.914 119.7 46.9 -66.7 -87.5 13.5 -14.4 -0.6 276 134 B V H 3X S+ 0 0 4 -4,-0.8 4,-1.3 1,-0.3 -2,-0.2 0.566 109.7 49.3 -15.9 -46.7 12.2 -11.4 1.4 277 135 B A H 3X S+ 0 0 38 -4,-1.2 4,-0.5 2,-0.2 -1,-0.3 0.706 115.4 51.3 -74.3 -20.5 8.8 -11.2 -0.5 278 136 B G H XX S+ 0 0 11 -3,-7.1 4,-1.5 -4,-0.6 3,-1.0 0.934 106.1 48.2 -80.0 -50.8 8.8 -14.9 0.3 279 137 B V H 3X S+ 0 0 7 -4,-0.8 4,-1.5 1,-0.3 -2,-0.2 0.779 114.9 51.7 -59.5 -27.2 9.6 -14.7 4.0 280 138 B A H 3X S+ 0 0 1 -4,-1.3 4,-0.6 -5,-0.4 -1,-0.3 0.659 103.8 51.0 -85.3 -18.6 6.8 -12.1 4.1 281 139 B N H << S+ 0 0 96 -3,-1.0 4,-0.3 -4,-0.5 -2,-0.2 0.675 112.0 55.6 -87.1 -22.1 4.1 -14.1 2.3 282 140 B A H >< S+ 0 0 5 -4,-1.5 3,-0.6 2,-0.2 -2,-0.2 0.905 106.2 42.5 -78.1 -44.7 5.0 -16.8 5.0 283 141 B L H 3< S+ 0 0 22 -4,-1.5 3,-0.3 1,-0.2 -48,-0.2 0.784 113.5 56.1 -75.6 -24.7 4.6 -14.9 8.3 284 142 B A T >< S+ 0 0 8 -4,-0.6 3,-1.1 1,-0.2 2,-1.1 0.594 74.8 107.3 -79.8 -13.0 1.4 -13.4 6.9 285 143 B H T < + 0 0 102 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.1 0.231 68.8 62.9 -53.3 15.1 -0.2 -16.8 6.1 286 144 B K T 3 S+ 0 0 113 -2,-1.1 -1,-0.2 -3,-0.3 -2,-0.1 0.024 73.6 84.6-129.1 26.0 -2.8 -16.7 8.9 287 145 B Y < 0 0 95 -3,-1.1 -2,-0.1 -45,-0.0 -1,-0.1 0.248 360.0 360.0-105.2 4.1 -4.7 -13.6 7.9 288 146 B H 0 0 182 -4,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.902 360.0 360.0-106.3 360.0 -6.5 -16.3 5.8