==== 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 18-AUG-76 1FDH . COMPND 2 MOLECULE: HEMOGLOBIN F (DEOXY) (ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.FRIERJUNIOR . 574 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26428.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 74.6 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 . 14 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 328 57.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 2 0 0 0 2 2 0 2 0 2 6 0 0 4 6 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 0 136 0, 0.0 2,-0.5 0, 0.0 429,-0.1 0.000 360.0 360.0 360.0 141.3 6.9 18.5 4.7 2 2 A L - 0 0 22 71,-0.2 122,-0.0 126,-0.1 5,-0.0 -0.787 360.0-149.0 -92.5 126.0 10.7 18.9 4.3 3 3 A S > - 0 0 52 -2,-0.5 4,-0.9 1,-0.1 -1,-0.0 -0.202 31.2-107.4 -77.8-178.2 12.3 20.8 7.2 4 4 A P H > S+ 0 0 85 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.592 122.2 61.0 -89.6 -13.3 15.4 22.7 6.1 5 5 A A H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.804 104.9 55.4 -78.2 -30.5 17.8 20.4 7.8 6 6 A D H > S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.917 107.2 45.7 -64.8 -44.7 16.1 18.1 5.3 7 7 A K H X S+ 0 0 44 -4,-0.9 4,-2.3 2,-0.2 5,-0.2 0.854 110.2 52.5 -67.3 -36.7 17.0 20.2 2.4 8 8 A T H X S+ 0 0 95 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.951 112.6 49.1 -63.6 -47.1 20.6 20.7 3.5 9 9 A N H X S+ 0 0 43 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.833 112.3 43.7 -60.2 -38.8 20.7 16.9 3.7 10 10 A V H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.850 113.4 52.1 -76.6 -36.2 19.2 16.1 0.3 11 11 A K H X S+ 0 0 102 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.869 112.5 45.2 -67.6 -38.1 21.4 18.8 -1.4 12 12 A A H X S+ 0 0 67 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.807 114.1 47.4 -76.0 -31.7 24.6 17.4 0.1 13 13 A A H < S+ 0 0 5 -4,-1.3 4,-0.4 -5,-0.2 -2,-0.2 0.864 114.8 45.6 -77.2 -38.0 23.8 13.8 -0.6 14 14 A W H X S+ 0 0 25 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.632 104.2 64.5 -79.1 -14.4 22.8 14.5 -4.2 15 15 A G H < S+ 0 0 52 -4,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.859 98.6 53.3 -75.0 -36.3 25.9 16.7 -4.6 16 16 A K T < S+ 0 0 112 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.705 107.9 51.6 -70.2 -19.2 28.1 13.6 -4.1 17 17 A V T >4 S+ 0 0 1 -4,-0.4 3,-3.0 1,-0.2 2,-0.5 0.908 77.1 137.9 -80.4 -47.2 26.1 12.0 -6.9 18 18 A G T 3< S+ 0 0 50 -4,-2.1 3,-0.2 1,-0.3 -1,-0.2 -0.129 81.5 2.3 42.6 -91.8 26.7 15.0 -9.1 19 19 A A T 3 S+ 0 0 96 -2,-0.5 3,-0.4 -3,-0.2 -1,-0.3 0.436 118.1 72.3-103.8 -0.2 27.5 13.2 -12.4 20 20 A H S <> S+ 0 0 91 -3,-3.0 4,-2.8 1,-0.2 5,-0.3 0.396 74.1 104.6 -91.4 0.8 27.0 9.5 -11.7 21 21 A A H > S+ 0 0 6 -4,-0.4 4,-1.5 2,-0.3 -1,-0.2 0.735 74.1 45.9 -52.1 -36.4 23.3 10.4 -11.6 22 22 A G H > S+ 0 0 20 -3,-0.4 4,-1.3 2,-0.2 -1,-0.3 0.810 117.0 52.7 -77.2 -30.6 22.0 9.0 -14.9 23 23 A E H > S+ 0 0 120 -4,-0.2 4,-1.5 2,-0.2 3,-0.3 0.928 110.5 41.6 -68.5 -47.5 24.1 6.1 -13.8 24 24 A Y H X S+ 0 0 22 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.813 113.6 58.2 -69.7 -29.1 22.5 5.6 -10.4 25 25 A G H X S+ 0 0 4 -4,-1.5 4,-1.2 -5,-0.3 -1,-0.2 0.791 105.9 45.6 -70.5 -29.8 19.2 6.3 -12.1 26 26 A A H X S+ 0 0 15 -4,-1.3 4,-1.4 -3,-0.3 -1,-0.2 0.792 112.9 52.0 -82.4 -30.6 19.6 3.4 -14.5 27 27 A E H X S+ 0 0 44 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.876 103.8 56.1 -72.3 -38.9 20.6 1.1 -11.7 28 28 A A H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.966 109.0 49.1 -57.0 -52.8 17.6 2.0 -9.6 29 29 A L H X S+ 0 0 4 -4,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.824 105.4 53.8 -55.5 -39.3 15.4 0.9 -12.4 30 30 A E H X S+ 0 0 39 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.912 110.4 50.5 -63.8 -41.2 17.1 -2.4 -13.1 31 31 A R H X S+ 0 0 4 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.782 108.3 51.2 -66.9 -28.8 16.5 -3.1 -9.4 32 32 A M H X S+ 0 0 10 -4,-1.4 4,-2.8 2,-0.2 7,-0.3 0.948 111.0 48.1 -73.0 -50.4 12.8 -2.2 -9.6 33 33 A F H < S+ 0 0 11 -4,-2.5 -2,-0.2 1,-0.2 7,-0.2 0.843 118.4 40.0 -58.0 -37.7 12.3 -4.5 -12.5 34 34 A L H < S+ 0 0 58 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.862 122.2 39.6 -80.9 -39.3 14.0 -7.4 -10.9 35 35 A S H < S+ 0 0 15 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.729 131.2 26.0 -82.8 -24.3 12.7 -6.9 -7.4 36 36 A F >< + 0 0 36 -4,-2.8 3,-3.4 -5,-0.2 4,-0.3 -0.503 65.0 179.2-139.5 66.6 9.2 -6.0 -8.4 37 37 A P G > S+ 0 0 43 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.686 74.9 78.4 -41.2 -22.8 8.5 -7.5 -11.8 38 38 A T G > S+ 0 0 35 1,-0.3 3,-0.9 2,-0.2 494,-0.1 0.771 82.6 62.5 -60.9 -27.1 5.0 -6.0 -11.5 39 39 A T G X S+ 0 0 4 -3,-3.4 3,-1.2 -7,-0.3 -1,-0.3 0.610 84.5 81.9 -74.1 -11.3 6.5 -2.6 -12.5 40 40 A K G X S+ 0 0 65 -3,-1.9 3,-2.7 -4,-0.3 -1,-0.2 0.840 72.2 75.0 -62.1 -35.5 7.4 -4.3 -15.8 41 41 A T G < S+ 0 0 7 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.1 0.594 87.4 59.3 -54.5 -15.1 3.9 -3.8 -17.2 42 42 A Y G < S+ 0 0 17 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.399 107.2 51.9 -94.0 0.2 4.5 -0.0 -17.8 43 43 A F X + 0 0 32 -3,-2.7 3,-1.2 1,-0.1 -1,-0.2 -0.243 54.4 132.8-134.7 51.5 7.4 -1.0 -20.1 44 44 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.705 77.6 58.3 -71.5 -20.1 6.4 -3.5 -22.7 45 45 A H T 3 S+ 0 0 123 -3,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.313 92.8 86.7 -92.3 7.8 8.1 -1.4 -25.4 46 46 A F S < S- 0 0 45 -3,-1.2 2,-0.6 2,-0.0 -3,-0.1 -0.656 74.8-132.7-105.4 163.1 11.5 -1.5 -23.7 47 47 A D - 0 0 80 -2,-0.2 8,-0.3 2,-0.1 7,-0.1 -0.974 23.5-171.5-111.5 125.3 14.3 -4.1 -24.0 48 48 A L + 0 0 56 -2,-0.6 2,-0.1 6,-0.1 3,-0.1 -0.049 34.1 138.5-110.9 27.7 15.0 -4.5 -20.3 49 49 A S S > S- 0 0 58 1,-0.1 3,-1.6 2,-0.0 6,-0.2 -0.474 73.9 -89.8 -68.8 149.1 18.0 -6.6 -21.0 50 50 A H T 3 S+ 0 0 149 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.438 112.7 17.4 -64.5 134.4 20.6 -5.4 -18.5 51 51 A G T 3 S+ 0 0 41 1,-0.2 -1,-0.2 -2,-0.1 2,-0.2 0.454 81.9 150.5 83.3 2.4 22.6 -2.6 -20.1 52 52 A S X> - 0 0 13 -3,-1.6 4,-1.9 1,-0.1 3,-1.2 -0.459 52.8-127.1 -70.5 137.2 20.2 -1.6 -23.0 53 53 A A H 3> S+ 0 0 81 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.723 105.4 69.3 -55.7 -23.5 20.4 2.0 -24.0 54 54 A Q H 3> S+ 0 0 87 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.912 108.9 33.4 -62.8 -43.7 16.6 2.3 -23.6 55 55 A V H <> S+ 0 0 12 -3,-1.2 4,-1.9 -8,-0.3 -2,-0.2 0.775 116.8 54.8 -82.7 -29.0 16.9 1.9 -19.8 56 56 A K H X S+ 0 0 134 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.903 112.2 46.8 -69.7 -40.4 20.2 3.8 -19.6 57 57 A G H X S+ 0 0 38 -4,-2.8 4,-1.4 -5,-0.2 3,-0.2 0.866 110.3 49.8 -68.3 -39.0 18.5 6.6 -21.4 58 58 A H H X S+ 0 0 55 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.873 108.7 55.1 -68.2 -37.3 15.3 6.6 -19.3 59 59 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.749 104.8 50.3 -67.7 -26.3 17.5 6.7 -16.1 60 60 A K H X S+ 0 0 133 -4,-1.0 4,-1.8 -3,-0.2 -1,-0.2 0.841 112.3 50.6 -78.7 -35.2 19.4 9.8 -17.2 61 61 A K H X S+ 0 0 161 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.865 114.2 42.6 -68.5 -37.5 16.0 11.3 -17.8 62 62 A V H X S+ 0 0 30 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.855 114.3 49.1 -77.2 -37.2 14.7 10.3 -14.4 63 63 A A H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.848 110.7 53.5 -70.2 -34.1 17.8 11.3 -12.5 64 64 A D H X S+ 0 0 83 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.816 105.9 49.8 -70.2 -32.4 17.8 14.6 -14.3 65 65 A A H X S+ 0 0 24 -4,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.828 112.3 51.6 -74.2 -31.7 14.2 15.4 -13.3 66 66 A L H X S+ 0 0 14 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.875 107.9 49.3 -71.0 -38.8 15.3 14.5 -9.7 67 67 A T H X S+ 0 0 52 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.900 110.4 51.7 -66.9 -40.3 18.3 16.9 -9.9 68 68 A N H X S+ 0 0 59 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.837 109.3 51.5 -64.6 -32.6 16.0 19.6 -11.1 69 69 A A H < S+ 0 0 0 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.822 108.1 49.3 -73.7 -32.8 13.8 18.9 -8.2 70 70 A V H >< S+ 0 0 10 -4,-1.7 3,-0.9 1,-0.2 -2,-0.2 0.811 108.1 55.7 -75.0 -30.4 16.6 19.1 -5.6 71 71 A A H 3< S+ 0 0 72 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.685 119.2 33.1 -74.0 -17.9 17.6 22.4 -7.2 72 72 A H T >< S+ 0 0 83 -4,-0.5 3,-2.5 -5,-0.1 -1,-0.2 -0.002 71.7 141.5-127.3 28.7 14.0 23.6 -6.6 73 73 A V T < S+ 0 0 13 -3,-0.9 -71,-0.2 1,-0.3 3,-0.1 0.585 76.2 51.3 -47.1 -14.2 13.1 21.9 -3.4 74 74 A D T 3 S+ 0 0 113 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.636 120.7 30.7 -98.8 -19.6 11.3 25.0 -2.2 75 75 A D S X> S+ 0 0 85 -3,-2.5 4,-1.7 -6,-0.2 3,-0.7 -0.140 79.1 141.8-130.0 35.6 9.2 25.4 -5.3 76 76 A M H 3> + 0 0 12 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.740 60.9 57.6 -48.2 -40.5 8.8 21.8 -6.3 77 77 A P H 34 S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 7,-0.2 0.880 110.6 44.4 -63.3 -40.3 5.2 21.6 -7.6 78 78 A N H X4 S+ 0 0 94 -3,-0.7 3,-1.0 1,-0.2 4,-0.3 0.897 113.5 51.8 -71.5 -41.5 5.8 24.3 -10.2 79 79 A A H 3< S+ 0 0 33 -4,-1.7 3,-0.2 1,-0.2 -1,-0.2 0.823 114.9 39.5 -64.7 -34.9 9.1 22.8 -11.3 80 80 A L T 3X S+ 0 0 5 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.205 87.7 114.0 -99.7 13.4 7.8 19.2 -11.8 81 81 A S H <> S+ 0 0 43 -3,-1.0 4,-2.7 1,-0.2 3,-0.2 0.887 72.3 44.5 -49.6 -56.9 4.6 20.6 -13.4 82 82 A A H > S+ 0 0 78 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.824 116.8 51.3 -61.9 -30.5 4.7 19.4 -17.0 83 83 A L H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.813 106.6 50.7 -75.9 -31.8 5.9 16.1 -15.6 84 84 A S H X S+ 0 0 3 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.906 112.3 50.4 -70.4 -40.6 3.0 15.8 -13.2 85 85 A D H X S+ 0 0 65 -4,-2.7 4,-1.9 -5,-0.2 5,-0.3 0.910 111.1 49.6 -61.6 -43.6 0.9 16.6 -16.2 86 86 A L H >X>S+ 0 0 68 -4,-2.1 4,-2.5 2,-0.2 5,-1.2 0.988 113.8 38.8 -59.4 -68.3 2.6 13.8 -18.2 87 87 A H H 3<>S+ 0 0 41 -4,-2.1 5,-3.3 1,-0.2 6,-0.3 0.892 116.8 56.1 -51.5 -43.3 2.4 10.9 -15.8 88 88 A A H 3<5S+ 0 0 6 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.842 122.5 16.7 -59.4 -40.6 -1.1 12.0 -14.8 89 89 A H H <<5S+ 0 0 108 -4,-1.9 -2,-0.2 -3,-0.5 -3,-0.2 0.723 134.1 23.4-109.8 -24.6 -2.7 12.0 -18.3 90 90 A K T <5S+ 0 0 163 -4,-2.5 -3,-0.2 -5,-0.3 -4,-0.1 0.781 132.3 31.2-104.8 -65.1 -0.8 10.1 -21.0 91 91 A L T - 0 0 3 -2,-0.3 3,-2.2 1,-0.1 4,-0.2 -0.406 25.0-127.7 -62.9 129.8 -0.6 3.7 -10.6 95 95 A P T >> S+ 0 0 44 0, 0.0 3,-1.1 0, 0.0 4,-0.8 0.569 100.5 77.6 -55.4 -14.4 0.8 5.6 -7.6 96 96 A V H 3> S+ 0 0 56 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.800 92.1 60.6 -66.5 -26.4 1.5 2.4 -5.6 97 97 A N H <> S+ 0 0 9 -3,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.616 88.0 64.7 -76.5 -15.2 4.5 2.2 -7.9 98 98 A F H <> S+ 0 0 24 -3,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.837 99.2 57.3 -75.0 -33.0 6.2 5.5 -7.0 99 99 A K H X S+ 0 0 133 -4,-0.8 4,-1.1 -3,-0.3 -1,-0.2 0.861 107.8 50.0 -63.8 -34.6 6.7 4.0 -3.6 100 100 A L H X S+ 0 0 19 -4,-0.6 4,-1.2 2,-0.2 -2,-0.2 0.883 112.9 39.8 -71.9 -42.8 8.5 1.1 -5.3 101 101 A L H X S+ 0 0 39 -4,-1.7 4,-1.6 1,-0.2 5,-0.2 0.848 110.6 62.3 -75.4 -34.8 11.0 3.1 -7.5 102 102 A S H X S+ 0 0 16 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.869 105.8 47.0 -57.2 -37.7 11.5 5.5 -4.6 103 103 A H H X S+ 0 0 18 -4,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.813 107.8 51.1 -75.2 -33.4 12.8 2.5 -2.6 104 104 A C H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.734 111.5 51.8 -75.6 -22.3 15.2 1.1 -5.1 105 105 A L H X S+ 0 0 9 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.897 106.8 50.8 -78.1 -43.2 16.6 4.6 -5.4 106 106 A L H X S+ 0 0 3 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.968 116.2 45.0 -56.2 -50.8 17.0 4.8 -1.7 107 107 A V H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.807 109.0 52.0 -62.0 -35.3 18.8 1.5 -2.1 108 108 A T H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.850 112.8 48.1 -70.9 -34.1 21.0 2.4 -5.1 109 109 A L H >X S+ 0 0 4 -4,-2.4 3,-1.2 1,-0.2 4,-1.2 0.858 105.9 56.6 -73.5 -36.7 22.1 5.5 -3.2 110 110 A A H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.848 106.6 51.9 -63.2 -34.4 22.9 3.5 -0.0 111 111 A A T 3< S+ 0 0 10 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.434 113.1 42.2 -83.5 -0.2 25.2 1.3 -2.1 112 112 A H T <4 S+ 0 0 54 -3,-1.2 -2,-0.2 -4,-0.2 -1,-0.2 0.528 106.8 52.4-122.1 -10.3 27.3 4.1 -3.6 113 113 A L S >X S- 0 0 3 -4,-1.2 3,-1.4 1,-0.2 4,-1.4 -0.664 73.4-164.4-124.6 66.6 27.9 6.7 -0.9 114 114 A P T 34 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 147,-0.1 0.779 84.5 4.2 -18.4 -57.9 29.3 4.0 1.4 115 115 A A T 34 S+ 0 0 80 -3,-0.1 3,-0.1 1,-0.1 -5,-0.1 -0.274 102.8 82.8-139.9 61.7 28.8 6.7 4.0 116 116 A E T <4 S+ 0 0 77 -3,-1.4 2,-3.0 -6,-0.1 5,-0.1 0.376 79.7 96.5-118.2 -28.2 27.2 10.1 3.2 117 117 A F < + 0 0 7 -4,-1.4 141,-0.0 -8,-0.2 -4,-0.0 -0.297 60.4 171.8 -63.1 69.1 24.2 7.8 3.7 118 118 A T > - 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0 0 2 -2,-0.5 3,-2.9 1,-0.2 4,-0.2 -0.539 22.8-141.6 -65.8 114.7 0.7 -3.5 13.3 242 100 G P T >> S+ 0 0 17 0, 0.0 3,-1.1 0, 0.0 4,-0.8 0.581 93.3 84.9 -57.5 -8.4 2.2 -6.1 11.1 243 101 G E H 3> S+ 0 0 31 1,-0.3 4,-1.6 2,-0.2 3,-0.3 0.796 81.1 66.9 -64.0 -25.6 2.7 -3.4 8.5 244 102 G N H <> S+ 0 0 13 -3,-2.9 4,-2.6 1,-0.2 -1,-0.3 0.777 86.5 62.6 -65.7 -29.8 5.9 -2.8 10.5 245 103 G F H <> S+ 0 0 22 -3,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.898 106.9 47.2 -63.0 -39.2 7.5 -6.1 9.5 246 104 G K H X S+ 0 0 117 -4,-0.8 4,-2.0 -3,-0.3 -2,-0.2 0.915 109.9 52.1 -67.6 -43.8 7.4 -4.8 5.9 247 105 G L H X S+ 0 0 17 -4,-1.6 4,-1.0 1,-0.2 -2,-0.2 0.890 114.6 42.5 -59.6 -41.0 8.8 -1.4 7.0 248 106 G L H X S+ 0 0 38 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.799 106.6 61.6 -75.9 -30.1 11.7 -3.1 8.7 249 107 G G H X S+ 0 0 6 -4,-1.9 4,-1.0 -5,-0.2 -2,-0.2 0.911 109.3 44.1 -61.9 -41.3 12.1 -5.6 5.9 250 108 G N H X S+ 0 0 35 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.743 108.6 53.0 -75.5 -26.2 12.9 -2.6 3.7 251 109 G V H X S+ 0 0 1 -4,-1.0 4,-2.2 1,-0.2 5,-0.2 0.885 110.3 53.6 -74.7 -39.3 15.2 -0.7 6.1 252 110 G L H X S+ 0 0 9 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.772 102.9 51.6 -64.7 -29.9 17.1 -4.0 6.2 253 111 G V H X S+ 0 0 0 -4,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.858 113.0 51.4 -73.8 -34.9 17.6 -4.3 2.5 254 112 G T H X S+ 0 0 1 -4,-1.1 4,-2.1 1,-0.2 -2,-0.2 0.886 107.3 48.3 -67.4 -41.6 18.9 -0.8 2.8 255 113 G V H X S+ 0 0 5 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.794 110.5 53.9 -69.7 -28.1 21.4 -1.5 5.6 256 114 G L H X S+ 0 0 4 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.827 108.1 49.0 -74.5 -32.6 22.6 -4.5 3.6 257 115 G A H X S+ 0 0 0 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.899 110.4 51.4 -72.4 -41.3 23.2 -2.3 0.6 258 116 G I H < S+ 0 0 27 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.936 114.9 43.0 -60.3 -48.1 25.1 0.2 2.8 259 117 G H H < S+ 0 0 114 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.909 124.0 30.5 -65.7 -48.0 27.3 -2.5 4.2 260 118 G F H >< S- 0 0 19 -4,-2.2 3,-2.5 1,-0.2 4,-0.3 0.408 82.2-175.1 -95.3 1.3 28.2 -4.5 1.1 261 119 G G G >< S+ 0 0 17 -4,-1.4 3,-1.5 1,-0.3 -1,-0.2 -0.083 72.2 6.9 42.8-123.2 28.1 -1.8 -1.5 262 120 G K G 3 S+ 0 0 192 1,-0.3 -1,-0.3 -151,-0.1 -150,-0.0 0.623 121.5 70.3 -62.9 -15.0 28.6 -3.2 -5.1 263 121 G E G < S+ 0 0 94 -3,-2.5 2,-1.8 1,-0.2 -1,-0.3 0.800 84.0 75.3 -72.4 -28.6 28.4 -6.8 -3.8 264 122 G F S < S- 0 0 0 -3,-1.5 -1,-0.2 -4,-0.3 -153,-0.1 -0.615 78.3-176.9 -85.7 81.2 24.7 -6.2 -3.2 265 123 G T >> - 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0 0 22 71,-0.2 122,-0.0 126,-0.1 5,-0.0 -0.787 360.0-149.0 -92.5 126.0 -10.7 18.9 -4.3 292 3 B S > - 0 0 52 -2,-0.5 4,-0.9 1,-0.1 -1,-0.0 -0.202 31.2-107.4 -77.8-178.2 -12.3 20.8 -7.2 293 4 B P H > S+ 0 0 85 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.592 122.2 61.0 -89.6 -13.3 -15.4 22.7 -6.1 294 5 B A H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.804 104.9 55.4 -78.2 -30.5 -17.8 20.4 -7.8 295 6 B D H > S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.917 107.2 45.7 -64.8 -44.7 -16.1 18.1 -5.3 296 7 B K H X S+ 0 0 44 -4,-0.9 4,-2.3 2,-0.2 5,-0.2 0.854 110.2 52.5 -67.3 -36.7 -17.0 20.2 -2.4 297 8 B T H X S+ 0 0 95 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.951 112.6 49.1 -63.6 -47.1 -20.6 20.7 -3.5 298 9 B N H X S+ 0 0 43 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.833 112.3 43.7 -60.2 -38.8 -20.7 16.9 -3.7 299 10 B V H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.850 113.4 52.1 -76.6 -36.2 -19.2 16.1 -0.3 300 11 B K H X S+ 0 0 102 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.869 112.5 45.2 -67.6 -38.1 -21.4 18.8 1.4 301 12 B A H X S+ 0 0 67 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.807 114.1 47.4 -76.0 -31.7 -24.6 17.4 -0.1 302 13 B A H < S+ 0 0 5 -4,-1.3 4,-0.4 -5,-0.2 -2,-0.2 0.864 114.8 45.6 -77.2 -38.0 -23.8 13.8 0.6 303 14 B W H X S+ 0 0 25 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.632 104.2 64.5 -79.1 -14.4 -22.8 14.5 4.2 304 15 B G H < S+ 0 0 52 -4,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.859 98.6 53.3 -75.0 -36.3 -25.9 16.7 4.6 305 16 B K T < S+ 0 0 112 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.705 107.9 51.6 -70.2 -19.2 -28.1 13.6 4.1 306 17 B V T >4 S+ 0 0 1 -4,-0.4 3,-3.0 1,-0.2 2,-0.5 0.908 77.1 137.9 -80.4 -47.2 -26.1 12.0 6.9 307 18 B G T 3< S+ 0 0 50 -4,-2.1 3,-0.2 1,-0.3 -1,-0.2 -0.129 81.5 2.3 42.6 -91.8 -26.7 15.0 9.1 308 19 B A T 3 S+ 0 0 96 -2,-0.5 3,-0.4 -3,-0.2 -1,-0.3 0.436 118.1 72.3-103.8 -0.2 -27.5 13.2 12.4 309 20 B H S <> S+ 0 0 91 -3,-3.0 4,-2.8 1,-0.2 5,-0.3 0.396 74.1 104.6 -91.4 0.8 -27.0 9.5 11.7 310 21 B A H > S+ 0 0 6 -4,-0.4 4,-1.5 2,-0.3 -1,-0.2 0.735 74.1 45.9 -52.1 -36.4 -23.3 10.4 11.6 311 22 B G H > S+ 0 0 20 -3,-0.4 4,-1.3 2,-0.2 -1,-0.3 0.810 117.0 52.7 -77.2 -30.6 -22.0 9.0 14.9 312 23 B E H > S+ 0 0 120 -4,-0.2 4,-1.5 2,-0.2 3,-0.3 0.928 110.5 41.6 -68.5 -47.5 -24.1 6.1 13.8 313 24 B Y H X S+ 0 0 22 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.813 113.6 58.2 -69.7 -29.1 -22.5 5.6 10.4 314 25 B G H X S+ 0 0 4 -4,-1.5 4,-1.2 -5,-0.3 -1,-0.2 0.791 105.9 45.6 -70.5 -29.8 -19.2 6.3 12.1 315 26 B A H X S+ 0 0 15 -4,-1.3 4,-1.4 -3,-0.3 -1,-0.2 0.792 112.9 52.0 -82.4 -30.6 -19.6 3.4 14.5 316 27 B E H X S+ 0 0 44 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.876 103.8 56.1 -72.3 -38.9 -20.6 1.1 11.7 317 28 B A H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.966 109.0 49.1 -57.0 -52.8 -17.6 2.0 9.6 318 29 B L H X S+ 0 0 4 -4,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.824 105.4 53.8 -55.5 -39.3 -15.4 0.9 12.4 319 30 B E H X S+ 0 0 39 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.912 110.4 50.5 -63.8 -41.2 -17.1 -2.4 13.1 320 31 B R H X S+ 0 0 4 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.782 108.3 51.2 -66.9 -28.8 -16.5 -3.1 9.4 321 32 B M H X S+ 0 0 10 -4,-1.4 4,-2.8 2,-0.2 7,-0.3 0.948 111.0 48.1 -73.0 -50.4 -12.8 -2.2 9.6 322 33 B F H < S+ 0 0 11 -4,-2.5 -2,-0.2 1,-0.2 7,-0.2 0.843 118.4 40.0 -58.0 -37.7 -12.3 -4.5 12.5 323 34 B L H < S+ 0 0 58 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.862 122.2 39.6 -80.9 -39.3 -14.0 -7.4 10.9 324 35 B S H < S+ 0 0 15 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.729 131.2 26.0 -82.8 -24.3 -12.7 -6.9 7.4 325 36 B F >< + 0 0 36 -4,-2.8 3,-3.4 -5,-0.2 4,-0.3 -0.503 65.0 179.2-139.5 66.6 -9.2 -6.0 8.4 326 37 B P G > S+ 0 0 43 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.686 74.9 78.4 -41.2 -22.8 -8.5 -7.5 11.8 327 38 B T G > S+ 0 0 35 1,-0.3 3,-0.9 2,-0.2 -84,-0.1 0.771 82.6 62.5 -60.9 -27.1 -5.0 -6.0 11.5 328 39 B T G X S+ 0 0 4 -3,-3.4 3,-1.2 -7,-0.3 -1,-0.3 0.610 84.5 81.9 -74.1 -11.3 -6.5 -2.6 12.5 329 40 B K G X S+ 0 0 65 -3,-1.9 3,-2.7 -4,-0.3 -1,-0.2 0.840 72.2 75.0 -62.1 -35.5 -7.4 -4.3 15.8 330 41 B T G < S+ 0 0 7 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.1 0.594 87.4 59.3 -54.5 -15.1 -3.9 -3.8 17.2 331 42 B Y G < S+ 0 0 17 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.399 107.2 51.9 -94.0 0.2 -4.5 -0.0 17.8 332 43 B F X + 0 0 32 -3,-2.7 3,-1.2 1,-0.1 -1,-0.2 -0.243 54.4 132.8-134.7 51.5 -7.4 -1.0 20.1 333 44 B P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.705 77.6 58.3 -71.5 -20.1 -6.4 -3.5 22.7 334 45 B H T 3 S+ 0 0 123 -3,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.313 92.8 86.7 -92.3 7.8 -8.1 -1.4 25.4 335 46 B F S < S- 0 0 45 -3,-1.2 2,-0.6 2,-0.0 -3,-0.1 -0.656 74.8-132.7-105.4 163.1 -11.5 -1.5 23.7 336 47 B D - 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