==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 22-NOV-01 1KFR . COMPND 2 MOLECULE: HEMOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARAMPHISTOMUM EPICLITUM; . AUTHOR M.MILANI,A.PESCE,S.DEWILDE,P.ASCENZI,L.MOENS,M.BOLOGNESI . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8073.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 74.1 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 . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 56.5 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+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 2 0 1 0 0 0 0 2 1 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 T 0 0 84 0, 0.0 134,-0.1 0, 0.0 81,-0.1 0.000 360.0 360.0 360.0 170.4 9.3 13.5 41.8 2 2 A L - 0 0 7 79,-0.1 2,-0.1 132,-0.1 129,-0.0 -0.270 360.0-134.3 -59.1 137.2 8.4 16.4 39.4 3 3 A T > - 0 0 68 1,-0.1 4,-2.4 79,-0.0 5,-0.2 -0.409 33.5 -99.8 -77.7 168.9 5.2 16.0 37.4 4 4 A K H > S+ 0 0 170 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.887 125.4 51.0 -60.0 -38.8 5.5 16.9 33.7 5 5 A H H > S+ 0 0 98 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.911 108.3 50.5 -66.1 -42.8 4.0 20.3 34.4 6 6 A E H > S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.926 112.0 49.0 -61.7 -41.6 6.4 21.0 37.2 7 7 A Q H X S+ 0 0 26 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.930 111.5 48.9 -60.8 -46.1 9.3 20.1 34.9 8 8 A D H X S+ 0 0 75 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.956 113.2 46.7 -60.6 -49.2 8.0 22.3 32.1 9 9 A I H X S+ 0 0 23 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.902 113.5 47.9 -58.3 -47.2 7.5 25.3 34.4 10 10 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.897 110.7 50.9 -64.7 -39.4 10.9 24.9 36.0 11 11 A L H X S+ 0 0 50 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.897 110.8 50.9 -63.6 -40.0 12.6 24.6 32.6 12 12 A K H < S+ 0 0 130 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.911 114.3 41.7 -63.8 -43.3 10.8 27.7 31.5 13 13 A E H < S+ 0 0 27 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.831 118.8 44.0 -78.3 -29.3 11.9 29.7 34.5 14 14 A L H >X S+ 0 0 6 -4,-2.6 3,-2.1 -5,-0.2 4,-0.8 0.703 93.8 87.2 -82.9 -19.2 15.5 28.5 34.6 15 15 A G G >< S+ 0 0 25 -4,-1.4 3,-1.1 1,-0.3 4,-0.2 0.845 85.1 49.2 -50.1 -50.5 15.7 28.9 30.8 16 16 A P G 34 S+ 0 0 71 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.500 112.6 51.0 -73.0 -2.2 16.8 32.5 30.8 17 17 A H G <4 S+ 0 0 55 -3,-2.1 10,-0.4 2,-0.1 -2,-0.2 0.487 116.4 38.2-103.6 -11.2 19.5 31.7 33.4 18 18 A V S << S+ 0 0 33 -3,-1.1 -3,-0.1 -4,-0.8 -1,-0.1 0.107 93.9 86.9-130.3 24.8 21.0 28.7 31.5 19 19 A D S S+ 0 0 89 -4,-0.2 -2,-0.1 -5,-0.1 -4,-0.1 0.955 78.0 49.2 -89.8 -66.2 20.9 29.8 27.8 20 20 A T S > S- 0 0 53 -4,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.412 84.9-115.5 -79.2 153.9 24.0 31.8 26.9 21 21 A P H > S+ 0 0 107 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.925 119.0 49.8 -50.9 -43.4 27.5 30.5 27.7 22 22 A A H > S+ 0 0 51 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.877 109.9 47.8 -63.6 -44.7 27.8 33.6 30.0 23 23 A H H > S+ 0 0 65 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.875 107.7 57.1 -64.5 -37.3 24.5 33.0 31.9 24 24 A I H X S+ 0 0 28 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.959 113.0 40.2 -60.0 -47.6 25.4 29.3 32.4 25 25 A V H X S+ 0 0 37 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.954 114.2 53.8 -65.1 -44.5 28.7 30.4 34.1 26 26 A E H X S+ 0 0 107 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.897 107.0 51.1 -58.0 -42.0 26.9 33.2 36.0 27 27 A T H X S+ 0 0 5 -4,-3.0 4,-1.5 -10,-0.4 -1,-0.2 0.935 112.0 46.2 -63.5 -45.8 24.3 30.9 37.4 28 28 A G H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.863 107.9 57.6 -64.1 -36.7 26.9 28.5 38.7 29 29 A L H X S+ 0 0 41 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.934 104.7 50.7 -62.0 -45.0 29.0 31.3 40.2 30 30 A G H X S+ 0 0 21 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.884 108.6 52.5 -61.0 -40.0 26.1 32.5 42.3 31 31 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.952 113.6 42.0 -61.6 -49.1 25.4 29.0 43.6 32 32 A Y H X S+ 0 0 22 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.908 110.1 58.0 -68.2 -35.4 29.0 28.5 44.7 33 33 A H H X S+ 0 0 88 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.938 108.6 46.3 -57.4 -48.0 29.3 32.0 46.1 34 34 A A H X S+ 0 0 30 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.909 113.3 50.2 -59.5 -41.6 26.3 31.2 48.4 35 35 A L H X S+ 0 0 14 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.934 112.9 44.4 -63.3 -42.9 28.0 27.9 49.3 36 36 A F H < S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.708 108.0 58.0 -82.2 -17.8 31.4 29.4 50.2 37 37 A T H < S+ 0 0 82 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.914 115.2 36.8 -76.8 -35.4 29.9 32.3 52.1 38 38 A A H < S+ 0 0 57 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.827 136.1 22.1 -80.6 -33.4 28.1 29.8 54.4 39 39 A H >< + 0 0 62 -4,-2.3 3,-2.4 -5,-0.2 4,-0.3 -0.581 62.6 166.7-138.6 70.6 31.0 27.3 54.4 40 40 A P G > S+ 0 0 62 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.725 75.8 69.7 -56.6 -27.9 34.4 29.0 53.5 41 41 A Q G 3 S+ 0 0 162 1,-0.3 3,-0.3 2,-0.2 4,-0.2 0.640 86.9 67.2 -66.7 -15.2 36.2 25.9 54.7 42 42 A Y G X S+ 0 0 31 -3,-2.4 3,-1.4 1,-0.2 4,-0.3 0.705 81.2 79.9 -75.5 -18.2 34.7 24.0 51.7 43 43 A I G X S+ 0 0 3 -3,-1.3 3,-2.0 -4,-0.3 6,-0.3 0.911 87.4 53.1 -53.7 -49.4 36.8 26.2 49.4 44 44 A S G 3 S+ 0 0 62 -4,-0.4 -1,-0.3 1,-0.3 6,-0.1 0.607 95.1 71.5 -67.6 -7.4 40.0 24.1 49.9 45 45 A H G < S+ 0 0 45 -3,-1.4 2,-0.7 -4,-0.2 -1,-0.3 0.642 82.6 78.2 -82.2 -10.8 38.1 21.0 49.0 46 46 A F S X> S- 0 0 37 -3,-2.0 3,-2.2 -4,-0.3 4,-0.6 -0.861 79.3-147.1-100.5 110.9 38.0 22.1 45.4 47 47 A S G >4 S+ 0 0 78 -2,-0.7 3,-1.1 1,-0.3 -1,-0.2 0.868 95.0 50.7 -50.6 -44.8 41.5 21.3 43.9 48 48 A R G 34 S+ 0 0 148 1,-0.2 14,-0.4 14,-0.1 -1,-0.3 0.620 110.2 52.7 -69.0 -11.3 41.6 24.3 41.5 49 49 A L G X4 S+ 0 0 0 -3,-2.2 3,-2.3 -6,-0.3 -1,-0.2 0.454 75.0 137.1-103.4 -5.0 40.6 26.7 44.3 50 50 A E T << + 0 0 122 -3,-1.1 3,-0.1 -4,-0.6 -6,-0.1 -0.144 69.7 23.4 -53.7 132.3 43.3 25.7 46.9 51 51 A G T 3 S+ 0 0 80 1,-0.4 -1,-0.3 0, 0.0 2,-0.2 0.250 96.5 118.2 94.7 -10.6 44.8 28.7 48.6 52 52 A H < - 0 0 64 -3,-2.3 -1,-0.4 -9,-0.1 2,-0.3 -0.493 47.9-155.5 -84.0 158.1 41.9 31.0 47.9 53 53 A T >> - 0 0 68 -2,-0.2 4,-2.2 -3,-0.1 3,-1.3 -0.785 38.5 -97.1-118.6 177.3 39.7 32.6 50.7 54 54 A I T 34 S+ 0 0 63 1,-0.3 4,-0.4 -2,-0.3 -18,-0.0 0.817 122.0 65.4 -67.2 -23.9 36.2 33.8 50.5 55 55 A E T 34 S+ 0 0 167 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.833 122.1 12.8 -62.8 -33.9 37.6 37.3 49.9 56 56 A N T X4 S+ 0 0 55 -3,-1.3 3,-1.3 2,-0.1 -2,-0.2 0.437 94.2 98.8-129.9 0.5 39.1 36.2 46.5 57 57 A V G >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 6,-0.3 0.863 79.9 61.9 -60.1 -36.4 37.7 32.8 45.4 58 58 A M G 3 S+ 0 0 40 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.699 100.8 55.3 -66.9 -15.7 35.1 34.4 43.1 59 59 A Q G < S+ 0 0 149 -3,-1.3 -1,-0.3 4,-0.0 -2,-0.2 0.343 86.1 108.4 -96.3 6.7 37.9 35.9 41.0 60 60 A S S < S- 0 0 8 -3,-1.9 4,-0.3 -4,-0.1 -11,-0.1 -0.365 71.9-131.0 -79.4 164.0 39.7 32.6 40.4 61 61 A D S >> S+ 0 0 134 1,-0.2 3,-1.4 -13,-0.2 4,-1.1 0.884 104.6 61.8 -75.1 -38.6 39.9 30.9 37.0 62 62 A G H 3> S+ 0 0 8 -14,-0.4 4,-2.0 1,-0.3 3,-0.2 0.817 91.9 62.6 -58.4 -37.3 38.9 27.6 38.7 63 63 A I H 3> S+ 0 0 0 -6,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.758 98.6 57.3 -66.8 -22.8 35.5 28.8 39.9 64 64 A K H <> S+ 0 0 120 -3,-1.4 4,-2.6 -4,-0.3 -1,-0.2 0.905 105.5 50.3 -73.2 -40.0 34.4 29.4 36.3 65 65 A H H X S+ 0 0 55 -4,-1.1 4,-2.4 -3,-0.2 5,-0.2 0.974 114.2 44.0 -56.1 -57.1 35.0 25.8 35.4 66 66 A Y H X S+ 0 0 31 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.876 111.4 54.4 -55.1 -44.7 33.1 24.6 38.4 67 67 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.957 110.4 46.3 -57.7 -50.9 30.3 27.1 37.8 68 68 A R H X S+ 0 0 101 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.950 113.8 46.5 -56.0 -50.6 29.8 25.8 34.2 69 69 A T H X S+ 0 0 49 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.845 111.8 52.4 -67.2 -32.3 29.9 22.1 35.1 70 70 A L H X S+ 0 0 22 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.958 111.4 44.6 -64.6 -52.0 27.4 22.6 38.0 71 71 A T H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.942 113.3 51.3 -60.2 -47.5 24.8 24.4 35.9 72 72 A E H X S+ 0 0 88 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.903 111.1 48.4 -56.8 -41.3 25.1 21.9 33.1 73 73 A A H X S+ 0 0 14 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.909 111.5 49.0 -69.0 -43.0 24.6 19.0 35.5 74 74 A I H X S+ 0 0 13 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.912 113.3 46.5 -60.4 -44.2 21.6 20.6 37.1 75 75 A V H X S+ 0 0 17 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.907 109.5 54.6 -66.4 -42.6 19.9 21.3 33.8 76 76 A H H X S+ 0 0 60 -4,-2.3 4,-0.9 -5,-0.3 -2,-0.2 0.934 110.5 45.9 -56.2 -48.5 20.7 17.8 32.5 77 77 A M H >< S+ 0 0 3 -4,-2.3 3,-0.6 1,-0.2 4,-0.3 0.910 111.9 52.3 -62.4 -38.6 18.9 16.3 35.5 78 78 A L H >< S+ 0 0 1 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.910 107.2 51.9 -64.6 -39.8 16.0 18.6 35.1 79 79 A K H 3< S+ 0 0 133 -4,-2.5 -1,-0.2 1,-0.2 3,-0.2 0.730 115.9 41.0 -68.6 -20.9 15.6 17.7 31.4 80 80 A E T X< S+ 0 0 57 -4,-0.9 3,-2.3 -3,-0.6 7,-0.6 0.265 80.0 110.2-107.6 8.7 15.5 14.0 32.3 81 81 A I T < S+ 0 0 3 -3,-1.1 -1,-0.1 -4,-0.3 -2,-0.1 0.656 75.7 54.7 -64.6 -18.1 13.4 14.3 35.4 82 82 A S T 3 S+ 0 0 59 -3,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.313 94.2 76.5 -93.6 2.4 10.4 12.6 33.7 83 83 A N <> - 0 0 79 -3,-2.3 4,-2.8 1,-0.2 5,-0.4 -0.896 67.3-168.2-114.1 96.0 12.5 9.6 32.8 84 84 A D H > S+ 0 0 91 -2,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.888 84.7 44.1 -54.1 -48.6 12.8 7.7 36.1 85 85 A A H > S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.968 115.6 46.1 -63.4 -50.8 15.5 5.4 34.9 86 86 A E H > S+ 0 0 69 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.913 111.8 48.8 -62.3 -47.0 17.6 8.1 33.1 87 87 A V H X S+ 0 0 2 -4,-2.8 4,-3.0 -7,-0.6 5,-0.3 0.917 110.6 52.4 -62.0 -39.3 17.6 10.7 35.9 88 88 A K H X S+ 0 0 104 -4,-1.6 4,-2.5 -5,-0.4 -1,-0.2 0.929 112.9 45.2 -60.3 -41.8 18.5 8.1 38.4 89 89 A K H X S+ 0 0 149 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.924 115.2 45.5 -67.5 -47.1 21.5 7.1 36.2 90 90 A I H X S+ 0 0 24 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.926 113.5 50.6 -59.7 -45.7 22.7 10.6 35.5 91 91 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 -5,-0.3 -2,-0.2 0.952 109.8 50.3 -62.4 -45.2 22.3 11.6 39.2 92 92 A A H X S+ 0 0 21 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.890 110.8 49.3 -58.7 -41.7 24.3 8.6 40.3 93 93 A Q H X S+ 0 0 97 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.922 108.7 52.1 -66.8 -44.5 27.1 9.4 37.8 94 94 A Y H < S+ 0 0 47 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.881 110.0 50.4 -59.5 -36.2 27.2 13.0 38.9 95 95 A G H >< S+ 0 0 0 -4,-2.1 3,-1.8 -5,-0.2 -2,-0.2 0.961 110.4 48.6 -64.1 -49.1 27.6 11.8 42.5 96 96 A K H 3< S+ 0 0 82 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.851 97.3 70.1 -58.4 -37.0 30.4 9.5 41.5 97 97 A D T 3< S+ 0 0 87 -4,-2.6 2,-2.0 1,-0.2 3,-0.3 0.686 78.4 84.4 -54.9 -18.9 32.1 12.4 39.6 98 98 A H < + 0 0 72 -3,-1.8 -1,-0.2 -4,-0.4 5,-0.1 -0.505 55.0 149.8 -83.0 67.0 32.8 13.8 43.1 99 99 A T + 0 0 124 -2,-2.0 -1,-0.2 48,-0.1 -2,-0.1 0.803 23.5 117.0 -73.1 -31.6 35.9 11.6 43.4 100 100 A S > - 0 0 50 -3,-0.3 3,-1.5 1,-0.2 -55,-0.0 -0.042 62.8-142.8 -42.8 131.2 37.9 13.9 45.7 101 101 A R T 3 S+ 0 0 231 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.554 97.3 74.3 -72.6 -3.5 38.7 12.3 49.0 102 102 A K T 3 S+ 0 0 113 -57,-0.2 2,-0.4 -58,-0.0 -1,-0.3 0.582 86.7 69.5 -86.6 -10.3 38.1 15.8 50.3 103 103 A V < - 0 0 29 -3,-1.5 2,-0.2 -5,-0.1 -1,-0.0 -0.929 63.6-169.6-114.8 131.1 34.3 15.7 49.9 104 104 A T > - 0 0 72 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.709 36.7-108.4-110.9 168.0 31.9 13.5 52.0 105 105 A K H > S+ 0 0 111 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.912 120.4 48.0 -55.4 -47.7 28.3 12.6 51.8 106 106 A D H > S+ 0 0 134 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.910 111.6 48.8 -67.6 -40.1 27.5 14.8 54.7 107 107 A E H 4 S+ 0 0 36 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.926 112.5 49.5 -61.8 -47.4 29.4 17.8 53.4 108 108 A F H >< S+ 0 0 28 -4,-2.7 3,-1.7 1,-0.2 4,-0.3 0.932 109.6 51.5 -55.7 -49.2 27.7 17.4 50.0 109 109 A M H >< S+ 0 0 47 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.802 95.8 68.4 -63.3 -27.8 24.3 17.2 51.6 110 110 A S T 3< S+ 0 0 33 -4,-1.6 4,-0.5 1,-0.3 -1,-0.3 0.628 90.9 64.9 -66.8 -13.1 24.8 20.3 53.6 111 111 A G T <> S+ 0 0 4 -3,-1.7 4,-2.9 -4,-0.3 5,-0.4 0.678 80.4 84.7 -82.3 -16.1 24.7 22.2 50.3 112 112 A E H <> S+ 0 0 43 -3,-1.6 4,-2.4 -4,-0.3 5,-0.2 0.913 90.7 41.5 -52.0 -58.4 21.1 21.3 49.7 113 113 A P H > S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.876 116.9 51.8 -61.7 -32.5 19.4 24.1 51.7 114 114 A I H > S+ 0 0 28 -4,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.930 112.4 42.1 -70.2 -50.2 21.9 26.6 50.4 115 115 A F H X S+ 0 0 16 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.871 112.7 57.0 -64.5 -37.2 21.4 25.7 46.7 116 116 A T H X S+ 0 0 6 -4,-2.4 4,-2.3 -5,-0.4 5,-0.2 0.958 109.2 43.3 -58.1 -50.5 17.6 25.6 47.3 117 117 A K H X S+ 0 0 138 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.920 115.1 51.4 -61.4 -43.5 17.4 29.1 48.6 118 118 A Y H X S+ 0 0 40 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.916 114.0 40.6 -59.3 -52.1 19.7 30.4 45.8 119 119 A F H X S+ 0 0 7 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.820 113.3 54.9 -71.4 -30.9 17.8 28.8 43.0 120 120 A Q H < S+ 0 0 45 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.928 110.0 46.6 -64.6 -44.3 14.5 29.8 44.5 121 121 A N H < S+ 0 0 104 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.857 110.3 55.2 -65.1 -31.6 15.6 33.4 44.7 122 122 A L H < S+ 0 0 44 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.873 95.7 77.0 -71.5 -37.4 16.8 33.1 41.1 123 123 A V S < S- 0 0 4 -4,-1.9 -109,-0.1 -5,-0.1 -113,-0.0 -0.318 83.1-120.6 -78.8 166.2 13.5 32.0 39.6 124 124 A A S S+ 0 0 82 -111,-0.1 2,-0.2 -2,-0.0 -1,-0.1 0.875 72.5 15.6 -75.5 -46.7 10.5 34.3 39.0 125 125 A D S > S- 0 0 75 1,-0.1 4,-2.7 0, 0.0 5,-0.2 -0.706 75.5 -92.9-136.6 176.3 7.5 33.1 41.0 126 126 A A H > S+ 0 0 79 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.874 119.1 52.7 -58.7 -40.8 6.0 31.0 43.7 127 127 A E H > S+ 0 0 95 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.922 113.9 42.9 -66.4 -38.9 5.2 28.0 41.4 128 128 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.888 111.3 55.0 -72.2 -33.6 8.8 27.9 40.2 129 129 A K H X S+ 0 0 63 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.905 110.2 46.4 -67.8 -37.1 10.2 28.4 43.7 130 130 A A H X S+ 0 0 62 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.859 111.2 51.8 -72.2 -35.2 8.2 25.4 44.9 131 131 A A H X S+ 0 0 4 -4,-1.7 4,-2.8 -5,-0.2 -2,-0.2 0.876 105.1 56.7 -69.6 -33.0 9.3 23.4 42.0 132 132 A V H X S+ 0 0 3 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.932 109.1 45.5 -60.2 -48.5 13.0 24.2 42.6 133 133 A E H X S+ 0 0 85 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.947 113.3 48.4 -64.5 -44.4 12.8 22.9 46.1 134 134 A K H X S+ 0 0 86 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.927 114.2 49.2 -61.7 -39.8 10.9 19.7 45.1 135 135 A F H X S+ 0 0 5 -4,-2.8 4,-2.1 1,-0.2 3,-0.4 0.959 114.9 41.0 -65.2 -50.6 13.5 19.2 42.3 136 136 A L H X S+ 0 0 6 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.870 111.3 55.8 -68.8 -36.2 16.6 19.7 44.5 137 137 A K H < S+ 0 0 118 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.792 111.7 46.8 -64.5 -26.1 15.2 17.7 47.5 138 138 A H H X S+ 0 0 57 -4,-1.2 4,-0.7 -3,-0.4 -2,-0.2 0.905 117.6 37.8 -81.6 -44.3 14.8 14.8 45.0 139 139 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.746 101.3 69.4 -85.5 -27.9 18.1 14.9 43.3 140 140 A F H X S+ 0 0 10 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.948 103.4 44.7 -54.5 -53.5 20.5 15.7 46.2 141 141 A P H > S+ 0 0 62 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.861 109.3 58.0 -61.3 -32.6 20.0 12.3 47.9 142 142 A M H < S+ 0 0 36 -4,-0.7 4,-0.4 2,-0.2 -2,-0.2 0.938 113.8 37.9 -61.8 -46.4 20.3 10.5 44.5 143 143 A M H >< S+ 0 0 17 -4,-2.2 3,-1.6 1,-0.2 4,-0.3 0.920 112.9 56.9 -69.5 -42.4 23.8 12.1 44.0 144 144 A A H >< S+ 0 0 1 -4,-2.9 3,-1.9 1,-0.3 -1,-0.2 0.831 91.9 71.1 -63.6 -29.7 24.8 11.7 47.6 145 145 A A T 3< S+ 0 0 65 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.790 101.6 45.1 -55.1 -29.8 24.2 8.0 47.6 146 146 A E T < 0 0 89 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.414 360.0 360.0 -98.7 3.5 27.3 7.5 45.4 147 147 A I < 0 0 55 -3,-1.9 -42,-0.2 -4,-0.3 -51,-0.1 -0.680 360.0 360.0 -92.5 360.0 29.5 9.8 47.4