==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 21-JUN-96 1OUU . COMPND 2 MOLECULE: HEMOGLOBIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: ONCORHYNCHUS MYKISS; . AUTHOR J.TAME,J.WILSON . 576 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24423.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 447 77.6 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 . 88 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 331 57.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 4 2 0 0 1 3 0 0 2 0 2 4 2 1 6 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 S 0 0 77 0, 0.0 2,-0.5 0, 0.0 431,-0.1 0.000 360.0 360.0 360.0 93.0 22.9 52.1 29.5 2 2 A L - 0 0 27 72,-0.2 123,-0.0 126,-0.1 2,-0.0 -0.630 360.0-149.8 -79.4 118.5 25.8 50.8 27.4 3 3 A T > - 0 0 64 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.208 31.4-104.4 -77.9 175.8 28.7 53.3 26.9 4 4 A A H > S+ 0 0 79 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.847 127.2 51.5 -65.9 -37.4 31.0 53.4 23.9 5 5 A K H > S+ 0 0 164 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.972 108.7 52.2 -60.9 -55.2 33.6 51.7 26.2 6 6 A D H > S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.829 108.6 47.6 -51.2 -47.7 31.0 49.0 27.1 7 7 A K H X S+ 0 0 45 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.856 111.6 51.5 -68.9 -33.2 30.1 48.0 23.5 8 8 A S H X S+ 0 0 80 -4,-1.5 4,-2.9 -3,-0.3 5,-0.2 0.948 111.7 45.5 -68.1 -45.8 33.8 47.8 22.5 9 9 A V H X S+ 0 0 45 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.905 114.8 50.5 -62.8 -38.1 34.6 45.6 25.4 10 10 A V H X S+ 0 0 7 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.959 112.9 43.5 -62.6 -56.6 31.5 43.5 24.6 11 11 A K H X S+ 0 0 127 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.882 114.4 51.0 -55.3 -45.9 32.3 43.1 21.0 12 12 A A H X S+ 0 0 52 -4,-2.9 4,-1.5 2,-0.2 3,-0.5 0.974 114.7 42.0 -58.2 -55.6 36.0 42.3 21.7 13 13 A F H X S+ 0 0 9 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.914 109.7 58.1 -57.9 -40.3 35.2 39.6 24.2 14 14 A W H X S+ 0 0 44 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.889 101.9 56.9 -58.0 -36.1 32.4 38.3 22.0 15 15 A G H < S+ 0 0 53 -4,-1.7 4,-0.5 -3,-0.5 -1,-0.2 0.888 108.1 47.6 -62.9 -39.8 35.1 37.8 19.4 16 16 A K H < S+ 0 0 123 -4,-1.5 3,-0.4 1,-0.2 -2,-0.2 0.974 118.4 37.9 -68.3 -49.7 37.0 35.6 21.9 17 17 A I H >X S+ 0 0 12 -4,-2.8 3,-2.0 1,-0.2 4,-0.9 0.774 88.1 94.9 -77.5 -23.5 34.0 33.5 22.9 18 18 A S G >< S+ 0 0 57 -4,-2.6 3,-1.4 -5,-0.3 4,-0.2 0.805 80.4 56.9 -30.9 -59.5 32.3 33.2 19.5 19 19 A G G 34 S+ 0 0 82 -4,-0.5 -1,-0.3 -3,-0.4 3,-0.2 0.749 112.9 37.7 -49.2 -35.4 33.9 29.8 18.7 20 20 A K G X> S+ 0 0 81 -3,-2.0 3,-1.9 -4,-0.2 4,-1.7 0.386 80.4 119.8 -97.1 -3.0 32.7 28.0 21.8 21 21 A A H S+ 0 0 116 -4,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.831 112.1 47.7 -64.7 -31.3 27.0 26.4 21.6 23 23 A V H <> S+ 0 0 70 -3,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.820 111.8 48.2 -72.8 -44.6 28.9 24.9 24.6 24 24 A V H X S+ 0 0 3 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.947 115.1 45.0 -65.6 -45.4 28.5 28.0 26.8 25 25 A G H X S+ 0 0 3 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.972 115.1 47.9 -59.0 -53.5 24.8 28.2 26.0 26 26 A A H X S+ 0 0 19 -4,-1.8 4,-2.2 -5,-0.3 26,-0.3 0.926 115.4 45.1 -50.6 -50.0 24.3 24.5 26.6 27 27 A E H X S+ 0 0 44 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.872 111.4 51.2 -66.3 -39.7 26.3 24.6 29.8 28 28 A A H X S+ 0 0 1 -4,-2.9 4,-1.8 -5,-0.2 3,-0.2 0.950 110.9 49.5 -65.3 -39.6 24.6 27.7 31.2 29 29 A L H X S+ 0 0 2 -4,-3.0 4,-2.1 1,-0.2 3,-0.4 0.956 109.5 50.6 -63.1 -46.5 21.1 26.2 30.5 30 30 A G H X S+ 0 0 2 -4,-2.2 4,-1.2 1,-0.3 -1,-0.2 0.791 110.2 51.2 -59.6 -30.6 22.0 23.0 32.2 31 31 A R H X S+ 0 0 7 -4,-1.6 4,-3.2 -3,-0.2 5,-0.4 0.844 107.1 53.0 -75.4 -36.1 23.2 24.9 35.2 32 32 A M H X S+ 0 0 11 -4,-1.8 4,-1.7 -3,-0.4 7,-0.3 0.915 111.9 43.2 -65.8 -45.6 20.1 26.9 35.5 33 33 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 2,-0.2 7,-0.2 0.804 121.5 41.3 -70.2 -33.7 17.7 24.0 35.6 34 34 A T H < S+ 0 0 36 -4,-1.2 -2,-0.2 -5,-0.3 -3,-0.2 0.889 124.7 33.2 -83.4 -46.9 19.9 22.0 38.0 35 35 A A H < S+ 0 0 7 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.771 129.4 37.3 -81.1 -26.6 21.0 24.8 40.4 36 36 A Y >< + 0 0 34 -4,-1.7 3,-1.5 -5,-0.4 4,-0.3 -0.740 68.2 177.9-126.4 79.8 17.6 26.7 40.1 37 37 A P G > + 0 0 62 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.720 68.4 76.4 -60.2 -19.9 14.8 24.1 39.9 38 38 A Q G 3 S+ 0 0 34 1,-0.2 3,-0.3 2,-0.2 4,-0.2 0.531 87.5 64.6 -66.9 -9.2 11.8 26.6 39.7 39 39 A T G X S+ 0 0 2 -3,-1.5 3,-1.1 -7,-0.3 4,-0.3 0.640 81.8 82.2 -83.9 -21.8 12.8 27.3 36.1 40 40 A K G X S+ 0 0 83 -3,-1.3 3,-1.3 -4,-0.3 -1,-0.2 0.758 72.8 71.6 -57.8 -25.9 11.9 23.7 35.2 41 41 A T G > S+ 0 0 43 -3,-0.3 3,-1.0 1,-0.3 -1,-0.2 0.856 92.1 58.4 -66.8 -29.0 8.2 24.2 34.9 42 42 A Y G < S+ 0 0 38 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.665 108.1 46.1 -71.5 -15.8 8.6 26.1 31.6 43 43 A F G X + 0 0 37 -3,-1.3 3,-1.5 -4,-0.3 -1,-0.2 0.109 69.1 126.1-118.3 25.9 10.4 23.2 30.0 44 44 A S T < + 0 0 93 -3,-1.0 -1,-0.1 1,-0.3 -2,-0.1 0.611 64.7 65.8 -56.0 -23.3 8.0 20.3 31.0 45 45 A H T 3 S+ 0 0 147 -3,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.338 83.1 102.4 -82.7 0.5 7.5 19.0 27.4 46 46 A W < - 0 0 40 -3,-1.5 3,-0.1 1,-0.1 -3,-0.0 -0.792 68.6-142.9 -92.9 136.2 11.2 18.1 27.2 47 47 A A S S+ 0 0 108 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.911 87.6 23.7 -58.5 -55.7 12.3 14.5 27.5 48 48 A D + 0 0 81 1,-0.1 8,-0.3 2,-0.1 -1,-0.2 -0.984 53.5 179.4-123.1 125.6 15.5 15.1 29.5 49 49 A L + 0 0 30 -2,-0.4 -16,-0.1 -3,-0.1 -1,-0.1 0.413 50.3 115.5-102.8 2.3 16.1 18.3 31.6 50 50 A S S > S- 0 0 54 1,-0.1 3,-3.1 2,-0.1 6,-0.2 -0.298 80.6 -84.5 -78.5 148.3 19.6 17.2 32.7 51 51 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 -24,-0.1 -0.242 117.7 19.1 -47.8 120.6 22.9 18.8 31.9 52 52 A G T 3 S+ 0 0 43 -26,-0.3 -2,-0.1 1,-0.3 -25,-0.1 0.406 88.2 143.8 93.7 -4.4 24.0 17.6 28.6 53 53 A S <> - 0 0 9 -3,-3.1 4,-3.7 1,-0.1 -1,-0.3 -0.234 60.5-111.4 -68.0 162.1 20.7 16.3 27.4 54 54 A G H > S+ 0 0 48 2,-0.2 4,-3.1 1,-0.2 5,-0.1 0.901 116.3 38.9 -55.2 -53.7 19.9 16.7 23.7 55 55 A P H > S+ 0 0 29 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.806 115.5 55.6 -70.3 -33.1 17.1 19.3 23.9 56 56 A V H > S+ 0 0 0 -8,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.986 113.4 41.6 -64.1 -48.8 19.1 21.0 26.7 57 57 A K H X S+ 0 0 115 -4,-3.7 4,-1.2 1,-0.2 5,-0.2 0.949 115.8 48.4 -61.1 -53.4 22.0 21.2 24.2 58 58 A K H >X S+ 0 0 98 -4,-3.1 4,-1.2 -5,-0.2 3,-0.6 0.960 114.5 45.2 -57.0 -46.2 20.0 22.2 21.2 59 59 A H H 3X S+ 0 0 50 -4,-2.8 4,-2.1 1,-0.2 3,-0.5 0.908 105.2 61.1 -68.9 -37.5 18.1 24.9 23.0 60 60 A G H 3X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.3 -1,-0.2 0.729 105.1 48.2 -58.5 -28.3 21.3 26.4 24.7 61 61 A G H X S+ 0 0 143 -4,-1.0 3,-1.0 1,-0.2 4,-0.9 0.858 103.2 60.1 -75.0 -33.8 22.7 38.9 17.5 70 70 A A H 3< S+ 0 0 0 -4,-1.6 3,-0.2 1,-0.3 -1,-0.2 0.816 94.2 67.3 -66.1 -26.3 21.9 41.3 20.3 71 71 A V H >< S+ 0 0 12 -4,-1.6 3,-0.7 1,-0.2 -1,-0.3 0.876 104.4 42.7 -57.6 -39.5 25.6 42.1 20.2 72 72 A G H << S+ 0 0 67 -3,-1.0 3,-0.3 -4,-0.5 -1,-0.2 0.684 112.8 53.8 -81.0 -18.0 24.9 43.6 16.7 73 73 A L T >< + 0 0 55 -4,-0.9 3,-1.2 -3,-0.2 7,-0.3 0.085 69.2 122.9-101.3 19.9 21.7 45.4 17.9 74 74 A M T < + 0 0 12 -3,-0.7 3,-0.3 1,-0.2 -72,-0.2 0.571 64.7 63.2 -62.1 -14.4 23.4 47.2 20.9 75 75 A D T 3 S+ 0 0 146 -3,-0.3 -1,-0.2 1,-0.3 2,-0.2 0.768 124.2 12.3 -80.6 -23.9 22.3 50.7 19.7 76 76 A D <> + 0 0 93 -3,-1.2 4,-1.8 1,-0.1 -1,-0.3 -0.669 69.1 158.4-150.7 89.3 18.6 49.7 20.1 77 77 A L H > S+ 0 0 15 -3,-0.3 4,-2.6 2,-0.2 5,-0.1 0.888 75.4 53.3 -83.6 -41.5 17.8 46.5 22.0 78 78 A V H 4 S+ 0 0 61 2,-0.2 7,-0.1 1,-0.2 -1,-0.1 0.919 118.5 41.2 -58.7 -40.2 14.2 47.0 23.2 79 79 A G H >4 S+ 0 0 33 1,-0.2 3,-1.3 2,-0.2 4,-0.2 0.931 114.9 52.1 -69.9 -47.6 13.5 47.7 19.5 80 80 A G H 3< S+ 0 0 36 -4,-1.8 -2,-0.2 -7,-0.3 -1,-0.2 0.774 115.9 38.1 -61.3 -30.4 15.7 44.9 18.4 81 81 A M T 3X S+ 0 0 11 -4,-2.6 4,-1.6 1,-0.1 -1,-0.3 0.080 76.4 120.8-110.3 17.7 14.2 42.2 20.6 82 82 A S H X> S+ 0 0 48 -3,-1.3 4,-1.6 1,-0.2 3,-1.1 0.925 76.0 49.1 -45.6 -58.4 10.5 43.2 20.3 83 83 A A H 3> S+ 0 0 80 1,-0.3 4,-1.9 -4,-0.2 -1,-0.2 0.846 110.5 50.9 -53.5 -40.2 9.3 39.9 18.9 84 84 A L H 3> S+ 0 0 57 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.743 105.9 58.0 -68.3 -27.4 11.2 37.9 21.6 85 85 A S H S+ 0 0 59 -4,-1.6 4,-3.7 2,-0.2 5,-1.1 0.933 110.6 52.3 -59.1 -54.8 6.0 39.2 23.0 87 87 A L H X>S+ 0 0 67 -4,-1.9 5,-2.9 1,-0.2 4,-0.7 0.936 117.5 36.0 -50.1 -54.7 6.8 35.5 22.9 88 88 A H H <5S+ 0 0 41 -4,-1.6 6,-2.2 3,-0.2 -1,-0.2 0.798 120.4 51.6 -74.7 -29.1 8.1 35.4 26.5 89 89 A A H <5S+ 0 0 7 -4,-2.1 -2,-0.2 4,-0.2 -3,-0.2 0.976 132.8 1.6 -72.7 -57.6 5.5 37.9 27.6 90 90 A F H <5S+ 0 0 103 -4,-3.7 -3,-0.2 -5,-0.1 -2,-0.2 0.767 129.8 49.1-103.7 -35.4 2.3 36.3 26.3 91 91 A K T < - 0 0 5 -2,-0.4 3,-1.6 1,-0.2 4,-0.1 -0.498 28.9-135.9 -63.0 122.7 8.1 35.2 35.3 96 96 A P T > S+ 0 0 17 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.540 95.1 77.3 -63.6 -3.8 10.7 37.9 34.5 97 97 A G T 3> S+ 0 0 11 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.577 84.0 67.5 -81.1 -6.1 12.7 37.2 37.7 98 98 A N H <> S+ 0 0 11 -3,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.583 81.8 74.4 -87.0 -13.8 14.1 34.2 35.9 99 99 A F H <> S+ 0 0 20 -3,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.819 96.1 49.0 -70.1 -31.3 15.9 36.5 33.5 100 100 A K H > S+ 0 0 100 -3,-0.3 4,-1.9 -4,-0.3 -1,-0.2 0.733 108.2 55.4 -74.8 -31.5 18.5 37.3 36.2 101 101 A I H X S+ 0 0 12 -4,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.940 109.6 43.6 -68.4 -49.6 18.9 33.6 37.0 102 102 A L H X S+ 0 0 37 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.952 113.8 53.2 -58.5 -52.8 19.8 32.7 33.4 103 103 A S H X S+ 0 0 20 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.829 107.2 50.5 -51.2 -44.1 22.1 35.7 33.2 104 104 A H H X S+ 0 0 16 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.910 109.8 51.4 -63.9 -40.7 24.0 34.7 36.4 105 105 A N H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.846 106.0 53.1 -69.0 -28.8 24.5 31.2 35.0 106 106 A I H X S+ 0 0 9 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.914 110.5 49.0 -71.8 -37.6 26.0 32.6 31.7 107 107 A L H X S+ 0 0 4 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.888 108.2 53.7 -67.7 -34.9 28.4 34.6 33.8 108 108 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.933 111.6 46.0 -65.8 -37.3 29.3 31.5 35.9 109 109 A T H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.720 107.9 54.5 -76.8 -27.7 30.1 29.6 32.6 110 110 A L H X S+ 0 0 3 -4,-1.6 4,-3.2 2,-0.2 8,-0.2 0.916 110.5 47.6 -71.8 -44.2 32.2 32.3 31.0 111 111 A A H < S+ 0 0 0 -4,-1.7 -2,-0.2 2,-0.2 7,-0.2 0.962 111.4 50.7 -63.4 -49.1 34.4 32.4 34.1 112 112 A I H < S+ 0 0 14 -4,-2.0 -2,-0.2 1,-0.2 151,-0.2 0.950 122.3 32.9 -54.3 -52.3 34.7 28.6 34.0 113 113 A H H < S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.691 132.4 26.4 -79.1 -24.9 35.7 28.7 30.4 114 114 A F X + 0 0 22 -4,-3.2 4,-2.5 -5,-0.1 -1,-0.2 -0.431 65.2 154.4-138.4 62.6 37.6 32.0 30.1 115 115 A P T 4 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.715 78.1 46.1 -62.0 -27.9 39.1 32.7 33.6 116 116 A S T 4 S+ 0 0 105 -3,-0.1 -2,-0.1 1,-0.1 -5,-0.1 0.865 119.3 39.8 -83.6 -39.2 42.0 34.8 32.3 117 117 A D T 4 S+ 0 0 69 1,-0.2 2,-2.7 -7,-0.1 5,-0.1 0.759 95.7 82.8 -80.4 -29.7 39.8 36.9 29.9 118 118 A F < + 0 0 5 -4,-2.5 -1,-0.2 -8,-0.2 141,-0.0 -0.312 68.6 165.7 -80.4 67.4 36.9 37.2 32.3 119 119 A T >> - 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0 0 15 -3,-2.3 4,-1.8 1,-0.1 -11,-0.1 -0.590 47.9-157.6 -82.9 131.3 44.4 47.7 47.9 201 58 B P H > S+ 0 0 98 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.590 91.9 53.8 -79.6 -14.7 45.6 46.1 51.1 202 59 B K H > S+ 0 0 105 -14,-0.4 4,-2.3 2,-0.2 5,-0.2 0.832 110.8 48.8 -87.5 -32.3 42.7 47.2 53.3 203 60 B V H > S+ 0 0 2 -15,-0.3 4,-2.4 2,-0.2 5,-0.1 0.912 111.6 49.7 -63.4 -49.7 40.4 45.7 50.7 204 61 B A H X S+ 0 0 21 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.927 109.3 51.6 -57.6 -46.6 42.5 42.5 50.9 205 62 B A H X S+ 0 0 53 -4,-1.4 4,-2.1 1,-0.2 3,-0.3 0.902 111.8 45.4 -59.7 -46.3 42.3 42.5 54.7 206 63 B H H X S+ 0 0 54 -4,-2.3 4,-3.5 1,-0.2 5,-0.2 0.878 106.2 59.7 -66.9 -36.4 38.5 42.8 54.8 207 64 B G H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.875 109.0 45.8 -55.9 -40.4 38.1 40.1 52.0 208 65 B K H X S+ 0 0 73 -4,-1.5 4,-1.7 -3,-0.3 -2,-0.2 0.894 110.0 53.0 -70.6 -44.2 39.9 37.7 54.4 209 66 B V H >X S+ 0 0 93 -4,-2.1 4,-1.8 1,-0.2 3,-0.6 0.963 109.7 50.5 -54.9 -51.6 37.8 38.9 57.4 210 67 B V H 3X S+ 0 0 37 -4,-3.5 4,-1.6 1,-0.3 3,-0.2 0.926 109.6 48.0 -54.6 -47.3 34.7 38.1 55.2 211 68 B C H 3X S+ 0 0 5 -4,-1.8 4,-1.1 -5,-0.2 -1,-0.3 0.769 105.2 62.2 -67.6 -21.9 35.9 34.6 54.3 212 69 B G H < S+ 0 0 14 -4,-2.3 3,-0.9 1,-0.3 -2,-0.2 0.937 116.6 47.6 -52.6 -48.7 30.8 25.7 57.0 219 76 B K H 3< S+ 0 0 130 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.851 124.8 31.2 -63.1 -32.4 32.1 24.6 60.4 220 77 B N T >< + 0 0 67 -4,-1.6 3,-3.6 -3,-0.2 4,-0.4 -0.076 66.2 157.7-116.4 31.4 28.6 25.2 62.0 221 78 B M T < S+ 0 0 18 -3,-0.9 3,-0.2 1,-0.3 -1,-0.1 0.583 76.0 56.6 -37.8 -14.6 26.1 24.4 59.2 222 79 B G T 3 S+ 0 0 69 1,-0.1 -1,-0.3 -3,-0.1 4,-0.2 0.475 113.0 34.8 -95.8 -7.7 23.4 23.8 61.9 223 80 B N <> + 0 0 88 -3,-3.6 4,-4.2 -6,-0.2 5,-0.3 0.124 68.7 126.3-135.8 29.9 23.6 27.1 63.7 224 81 B I H > S+ 0 0 6 -4,-0.4 4,-2.6 1,-0.2 -3,-0.1 0.916 83.3 47.3 -56.8 -39.7 24.3 29.7 61.0 225 82 B L H 4 S+ 0 0 83 2,-0.2 3,-0.5 1,-0.2 -1,-0.2 0.989 117.2 42.3 -63.2 -53.2 21.3 31.7 62.2 226 83 B A H >4 S+ 0 0 58 1,-0.3 3,-1.3 2,-0.2 -2,-0.2 0.956 117.6 48.0 -48.3 -60.0 22.4 31.3 65.8 227 84 B T H 3< S+ 0 0 43 -4,-4.2 -1,-0.3 1,-0.3 3,-0.2 0.734 112.1 49.9 -51.0 -38.7 26.0 32.1 64.7 228 85 B Y T 3X S+ 0 0 3 -4,-2.6 4,-1.5 -3,-0.5 -1,-0.3 0.049 73.8 109.2-102.8 33.8 25.1 35.1 62.6 229 86 B K H <> S+ 0 0 64 -3,-1.3 4,-1.2 1,-0.2 -1,-0.2 0.921 84.2 34.5 -74.9 -42.5 22.9 37.3 64.9 230 87 B S H > S+ 0 0 74 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.655 113.6 59.9 -85.4 -17.2 25.1 40.3 65.7 231 88 B L H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.936 108.9 45.5 -69.3 -42.4 26.7 40.2 62.3 232 89 B S H X S+ 0 0 0 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.856 113.9 50.2 -67.9 -32.9 23.1 40.7 61.1 233 90 B E H X>S+ 0 0 74 -4,-1.2 4,-2.2 2,-0.2 5,-0.6 0.801 109.7 47.5 -74.8 -35.5 22.6 43.4 63.7 234 91 B T H X>S+ 0 0 62 -4,-2.5 4,-2.7 3,-0.2 5,-2.5 0.978 115.8 45.3 -72.0 -46.4 25.8 45.4 62.9 235 92 B H H <5S+ 0 0 43 -4,-2.1 6,-3.0 -5,-0.2 -2,-0.2 0.821 121.1 40.2 -61.5 -33.6 25.0 45.3 59.2 236 93 B A H <5S+ 0 0 9 -4,-1.5 4,-0.3 4,-0.2 -2,-0.2 0.973 133.1 16.9 -79.3 -61.1 21.4 46.2 59.8 237 94 B N H <5S+ 0 0 99 -4,-2.2 -3,-0.2 2,-0.1 -2,-0.2 0.585 131.0 38.3 -89.1 -21.2 21.7 48.8 62.6 238 95 B K T < - 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0 0 20 -3,-1.9 4,-2.8 -4,-0.5 -11,-0.1 -0.506 45.6-166.7 -81.5 125.8 -13.9 37.1 38.8 491 58 D P H > S+ 0 0 94 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.699 88.2 58.2 -80.0 -25.3 -15.3 35.1 41.6 492 59 D K H > S+ 0 0 106 -14,-0.3 4,-1.9 2,-0.2 5,-0.1 0.862 111.6 45.0 -76.5 -28.8 -12.5 32.5 41.8 493 60 D V H > S+ 0 0 2 -15,-0.2 4,-2.3 2,-0.2 3,-0.3 0.976 109.5 55.5 -71.5 -54.3 -10.2 35.5 42.3 494 61 D A H X S+ 0 0 23 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.879 111.7 44.2 -40.4 -59.4 -12.6 37.0 44.8 495 62 D A H X S+ 0 0 50 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.797 109.0 52.7 -57.8 -42.4 -12.5 33.8 46.9 496 63 D H H X S+ 0 0 57 -4,-1.9 4,-2.8 -3,-0.3 -1,-0.2 0.886 104.5 60.0 -68.2 -28.1 -8.7 33.1 46.7 497 64 D G H X S+ 0 0 1 -4,-2.3 4,-1.5 1,-0.3 -1,-0.2 0.854 106.7 45.6 -62.3 -36.4 -8.3 36.7 48.0 498 65 D K H X S+ 0 0 79 -4,-1.0 4,-1.7 -5,-0.2 -1,-0.3 0.808 109.0 56.2 -78.7 -29.6 -10.3 35.7 51.1 499 66 D V H X S+ 0 0 93 -4,-1.7 4,-1.3 2,-0.2 3,-0.2 0.965 108.2 48.1 -63.3 -48.6 -8.2 32.5 51.4 500 67 D V H X S+ 0 0 39 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.885 108.9 53.8 -56.8 -41.5 -5.0 34.7 51.5 501 68 D C H X S+ 0 0 4 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.2 0.900 102.7 56.5 -65.9 -33.6 -6.5 37.0 54.2 502 69 D G H X S+ 0 0 33 -4,-1.7 4,-1.5 -3,-0.2 -1,-0.2 0.858 105.2 52.9 -66.3 -32.9 -7.4 34.1 56.5 503 70 D A H X S+ 0 0 16 -4,-1.3 4,-1.1 1,-0.2 -1,-0.2 0.908 109.1 49.0 -66.5 -39.9 -3.7 33.1 56.4 504 71 D L H X S+ 0 0 16 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.803 104.6 60.2 -66.0 -32.1 -2.7 36.6 57.4 505 72 D D H X S+ 0 0 52 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.926 101.4 52.7 -67.0 -36.3 -5.2 36.5 60.2 506 73 D K H X S+ 0 0 80 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.821 107.0 52.5 -65.7 -36.2 -3.4 33.5 61.8 507 74 D A H < S+ 0 0 0 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.941 110.4 48.5 -64.2 -45.7 -0.2 35.5 61.7 508 75 D V H >< S+ 0 0 12 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.873 115.9 43.4 -59.5 -39.4 -2.0 38.4 63.5 509 76 D K H 3< S+ 0 0 127 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.891 124.2 36.7 -69.3 -41.5 -3.4 35.9 66.1 510 77 D N T >< + 0 0 68 -4,-2.5 3,-1.4 -5,-0.2 -1,-0.2 -0.209 65.3 156.0-106.0 39.8 0.0 34.1 66.4 511 78 D M T < S+ 0 0 17 -3,-0.6 3,-0.2 1,-0.3 -1,-0.1 0.560 75.7 53.5 -48.6 -12.3 2.6 36.9 66.1 512 79 D G T 3 S+ 0 0 74 1,-0.1 3,-0.3 -3,-0.1 -1,-0.3 0.824 111.8 37.9 -90.6 -41.4 5.1 34.7 68.0 513 80 D N S <> S+ 0 0 95 -3,-1.4 4,-4.3 1,-0.2 5,-0.2 -0.116 71.9 127.7-104.5 36.1 5.0 31.5 65.9 514 81 D I H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 76.4 48.9 -63.0 -38.0 4.8 33.0 62.5 515 82 D L H 4 S+ 0 0 86 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.889 118.1 41.1 -64.8 -38.1 7.8 31.0 61.2 516 83 D A H >4 S+ 0 0 58 1,-0.2 3,-1.6 2,-0.2 4,-0.3 0.951 111.6 56.1 -70.2 -49.4 6.3 27.9 62.6 517 84 D T H 3< S+ 0 0 40 -4,-4.3 3,-0.3 1,-0.3 -2,-0.2 0.875 112.8 42.4 -48.2 -44.3 2.7 28.8 61.5 518 85 D Y T 3X S+ 0 0 3 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.3 0.016 76.5 106.0 -99.2 31.4 3.9 29.1 57.9 519 86 D K H <> S+ 0 0 64 -3,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.902 87.6 41.3 -75.4 -39.3 6.3 26.2 57.2 520 87 D S H > S+ 0 0 73 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.761 113.7 52.6 -76.6 -29.1 3.8 24.2 55.0 521 88 D L H > S+ 0 0 47 2,-0.2 4,-2.5 -4,-0.2 5,-0.2 0.912 111.9 47.7 -72.2 -42.9 2.6 27.3 53.2 522 89 D S H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 5,-0.3 0.969 110.9 50.7 -64.5 -46.4 6.2 28.1 52.5 523 90 D E H X>S+ 0 0 85 -4,-2.7 4,-2.8 1,-0.2 5,-0.6 0.921 111.6 47.8 -57.9 -43.1 6.9 24.5 51.3 524 91 D T H X>S+ 0 0 57 -4,-2.2 5,-2.9 1,-0.2 4,-1.7 0.931 110.1 49.7 -67.4 -42.4 3.9 24.5 49.0 525 92 D H H <>S+ 0 0 42 -4,-2.5 6,-2.3 3,-0.2 5,-0.5 0.934 121.5 37.4 -63.5 -36.9 4.7 27.9 47.3 526 93 D A H <5S+ 0 0 9 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.974 129.3 22.4 -78.2 -58.1 8.2 26.7 46.8 527 94 D N H <5S+ 0 0 100 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.657 132.6 31.9 -90.0 -14.4 8.1 23.0 45.9 528 95 D K T < - 0 0 10 -2,-0.5 3,-1.5 1,-0.2 4,-0.2 -0.445 27.9-130.5 -56.2 127.2 9.3 33.1 42.3 533 100 D P T > S+ 0 0 49 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.459 97.4 74.1 -65.6 -5.6 9.8 34.5 45.8 534 101 D D T >> S+ 0 0 92 1,-0.2 4,-1.3 2,-0.2 3,-1.0 0.813 82.0 73.5 -77.4 -27.2 10.0 38.1 44.8 535 102 D N H <> S+ 0 0 17 -3,-1.5 4,-2.0 1,-0.3 -1,-0.2 0.710 83.9 66.7 -58.2 -24.2 6.2 38.0 44.3 536 103 D F H <> S+ 0 0 23 -3,-0.6 4,-2.3 1,-0.2 -1,-0.3 0.916 102.3 45.6 -65.6 -39.3 5.7 37.9 48.0 537 104 D R H <> S+ 0 0 102 -3,-1.0 4,-1.8 -4,-0.4 -2,-0.2 0.866 110.0 54.1 -72.6 -35.3 7.0 41.5 48.4 538 105 D V H X S+ 0 0 30 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.916 110.6 47.3 -58.6 -45.9 4.9 42.7 45.4 539 106 D L H X S+ 0 0 52 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.960 110.6 51.3 -59.5 -53.6 1.8 41.3 47.1 540 107 D A H X S+ 0 0 2 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.870 110.7 49.5 -52.9 -39.2 2.7 42.8 50.5 541 108 D D H X S+ 0 0 26 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.916 111.5 47.3 -71.0 -41.0 3.1 46.2 48.8 542 109 D V H X S+ 0 0 2 -4,-2.3 4,-1.8 2,-0.2 5,-0.2 0.938 109.4 53.4 -69.9 -39.7 -0.2 46.1 47.0 543 110 D L H X S+ 0 0 4 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.896 107.8 53.2 -59.9 -38.5 -2.1 45.0 50.1 544 111 D T H X S+ 0 0 0 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 0.908 106.2 51.3 -64.3 -40.6 -0.6 48.0 51.9 545 112 D I H X S+ 0 0 5 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.858 109.9 50.2 -64.8 -34.2 -1.9 50.4 49.1 546 113 D V H X S+ 0 0 11 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.932 110.8 48.3 -68.9 -44.7 -5.4 49.1 49.4 547 114 D I H X S+ 0 0 0 -4,-2.1 4,-3.3 -5,-0.2 5,-0.2 0.844 112.2 50.5 -66.7 -33.2 -5.5 49.4 53.2 548 115 D A H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.943 110.8 46.0 -68.0 -49.6 -4.2 53.0 52.9 549 116 D A H < S+ 0 0 26 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.890 118.2 46.9 -62.6 -34.0 -6.8 54.0 50.3 550 117 D K H < S+ 0 0 86 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.929 120.6 34.5 -72.9 -47.4 -9.3 52.3 52.6 551 118 D F H >< S- 0 0 18 -4,-3.3 3,-1.6 1,-0.2 -2,-0.2 0.634 88.7-176.0 -85.3 -16.7 -8.1 53.9 55.9 552 119 D G G >< - 0 0 16 -4,-2.8 3,-2.8 1,-0.3 -1,-0.2 -0.104 64.8 -2.6 55.5-149.1 -7.1 57.2 54.4 553 120 D A G 3 S+ 0 0 86 -151,-0.3 -1,-0.3 1,-0.3 -4,-0.1 0.562 124.6 69.1 -51.9 -14.8 -5.5 59.7 56.8 554 121 D S G < S+ 0 0 67 -3,-1.6 2,-1.2 -6,-0.1 -1,-0.3 0.466 77.1 86.0 -84.4 -7.3 -5.8 57.4 59.8 555 122 D F S < S- 0 0 0 -3,-2.8 -1,-0.1 -7,-0.2 -153,-0.0 -0.827 78.9-169.9 -87.4 81.8 -3.2 55.1 58.2 556 123 D T > - 0 0 45 -2,-1.2 4,-4.2 1,-0.1 5,-0.3 -0.421 37.9-106.6 -82.9 160.5 -0.4 57.2 59.8 557 124 D P H > S+ 0 0 21 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.905 123.1 47.7 -45.5 -49.4 3.4 57.2 59.1 558 125 D E H > S+ 0 0 100 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.844 114.0 44.1 -58.2 -48.0 3.8 55.5 62.5 559 126 D I H >> S+ 0 0 48 -3,-0.3 4,-3.1 2,-0.2 3,-0.7 0.979 112.9 52.6 -66.8 -50.8 1.1 52.9 62.0 560 127 D Q H 3X S+ 0 0 0 -4,-4.2 4,-2.8 1,-0.3 -2,-0.2 0.878 105.7 57.7 -48.5 -45.2 2.5 52.4 58.5 561 128 D A H 3X S+ 0 0 27 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.3 0.875 111.8 37.5 -58.4 -41.5 5.8 51.8 60.2 562 129 D T H < S+ 0 0 56 -4,-2.4 3,-0.6 1,-0.2 4,-0.4 0.980 110.5 48.5 -59.0 -57.2 10.3 36.3 55.7 573 140 D A H >< S+ 0 0 1 -4,-3.2 3,-1.1 1,-0.2 -2,-0.2 0.866 111.0 50.7 -53.5 -41.4 8.1 33.5 56.9 574 141 D M H 3< S+ 0 0 20 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.790 113.5 43.4 -67.2 -35.0 6.7 32.8 53.4 575 142 D G T X< S+ 0 0 30 -4,-1.6 3,-0.8 -3,-0.6 -1,-0.2 0.281 88.0 104.5 -97.2 15.3 10.2 32.6 51.7 576 143 D S T < S+ 0 0 24 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.1 0.563 77.0 43.7 -71.6 -18.6 11.5 30.5 54.6 577 144 D R T 3 S+ 0 0 50 -3,-0.4 2,-0.9 -4,-0.2 -1,-0.2 0.070 78.1 118.7-120.0 27.3 11.6 27.0 53.0 578 145 D Y < 0 0 32 -3,-0.8 -55,-0.1 1,-0.2 -3,-0.0 -0.835 360.0 360.0 -92.4 102.5 13.1 28.0 49.7 579 146 D F 0 0 73 -2,-0.9 -1,-0.2 -300,-0.0 -301,-0.2 0.481 360.0 360.0-138.6 360.0 16.4 26.1 49.6