==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON-BINDING PROTEIN 18-JAN-13 3ZJO . COMPND 2 MOLECULE: PROTOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA ACETIVORANS; . AUTHOR A.PESCE,L.TILLEMAN,J.DONNE',E.ASTE,P.ASCENZI,C.CIACCIO,M.COL . 380 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16412.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 78.7 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 . 6 1.6 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 . 2 0.5 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-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 . 11 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 53.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 0 0 0 0 2 0 0 1 5 0 0 0 0 1 3 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 . 3 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 6 A I > 0 0 101 0, 0.0 3,-1.9 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 110.8 47.0 -0.8 17.9 2 7 A P T 3 + 0 0 85 0, 0.0 85,-0.1 0, 0.0 3,-0.1 -0.342 360.0 11.1 -60.7 131.6 46.9 2.7 16.5 3 8 A G T 3 S+ 0 0 25 1,-0.2 2,-0.7 120,-0.1 121,-0.0 0.199 91.7 127.7 90.9 -11.4 43.9 4.7 17.6 4 9 A Y < + 0 0 41 -3,-1.9 -1,-0.2 1,-0.1 83,-0.0 -0.678 22.0 162.1 -86.7 113.5 42.9 2.2 20.3 5 10 A T > + 0 0 40 -2,-0.7 3,-2.2 -3,-0.1 -1,-0.1 -0.020 7.9 163.5-124.6 29.6 42.4 4.0 23.6 6 11 A Y T 3 S+ 0 0 22 1,-0.3 98,-0.1 2,-0.2 97,-0.1 -0.270 75.5 5.9 -53.7 127.4 40.3 1.6 25.7 7 12 A G T 3 S+ 0 0 53 96,-0.4 -1,-0.3 97,-0.1 97,-0.1 0.298 124.6 69.1 81.9 -8.5 40.5 2.5 29.4 8 13 A E < + 0 0 149 -3,-2.2 -2,-0.2 95,-0.1 2,-0.1 -0.156 66.0 141.5-133.3 40.8 42.4 5.7 28.7 9 14 A T - 0 0 28 2,-0.2 98,-0.1 94,-0.1 97,-0.0 -0.321 58.6-120.2 -77.3 166.0 39.8 7.9 26.9 10 15 A E S S+ 0 0 177 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.722 90.7 50.3 -79.9 -20.6 39.6 11.7 27.4 11 16 A N S S- 0 0 80 95,-0.1 2,-0.3 0, 0.0 -2,-0.2 -0.863 74.2-128.3-122.1 145.6 35.9 11.6 28.7 12 17 A R - 0 0 179 -2,-0.3 91,-0.1 1,-0.1 -2,-0.0 -0.735 47.9-101.9 -82.5 142.4 33.9 9.6 31.3 13 18 A A - 0 0 11 -2,-0.3 93,-0.1 89,-0.3 -1,-0.1 -0.250 19.2-123.9 -61.1 156.6 30.7 8.2 29.5 14 19 A P S S+ 0 0 55 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.391 95.3 66.0 -80.8 7.1 27.4 10.1 30.1 15 20 A F - 0 0 5 87,-0.1 2,-0.2 90,-0.1 -2,-0.1 -0.930 68.6-161.7-129.2 154.6 26.0 6.7 31.4 16 21 A N > - 0 0 78 -2,-0.3 4,-2.2 89,-0.0 5,-0.1 -0.492 41.7 -80.2-127.1-173.0 26.9 4.7 34.5 17 22 A L H > S+ 0 0 89 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.788 126.3 55.2 -69.0 -29.0 26.6 1.2 35.9 18 23 A E H > S+ 0 0 103 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.908 109.2 47.3 -67.6 -42.8 23.0 1.8 37.0 19 24 A D H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.893 114.2 48.3 -57.4 -43.5 22.1 2.8 33.4 20 25 A L H X S+ 0 0 5 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.920 107.3 54.8 -66.3 -44.6 23.9 -0.3 32.2 21 26 A K H X S+ 0 0 113 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.906 110.9 46.2 -49.0 -47.3 22.1 -2.6 34.7 22 27 A L H X S+ 0 0 36 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.872 112.8 48.5 -72.7 -35.1 18.8 -1.4 33.4 23 28 A L H X S+ 0 0 2 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.882 107.8 54.5 -70.4 -38.2 19.8 -1.8 29.7 24 29 A K H <>S+ 0 0 42 -4,-3.0 5,-2.8 2,-0.2 4,-0.3 0.903 108.0 52.3 -57.8 -38.2 21.1 -5.3 30.4 25 30 A E H ><5S+ 0 0 60 -4,-1.7 3,-1.2 -5,-0.2 -2,-0.2 0.914 106.7 51.6 -66.7 -40.8 17.7 -6.1 31.8 26 31 A A H 3<5S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.848 114.1 43.3 -62.3 -34.8 16.0 -4.7 28.6 27 32 A V T 3<5S- 0 0 0 -4,-1.9 -1,-0.2 306,-0.1 -2,-0.2 0.299 112.4-119.0 -94.1 7.5 18.2 -7.0 26.5 28 33 A M T < 5 + 0 0 59 -3,-1.2 2,-0.5 -4,-0.3 -3,-0.2 0.813 57.0 160.3 60.7 32.3 17.8 -10.1 28.8 29 34 A F < + 0 0 13 -5,-2.8 2,-0.2 -6,-0.2 -1,-0.2 -0.756 9.2 161.7 -91.9 125.8 21.5 -10.2 29.5 30 35 A T >> - 0 0 72 -2,-0.5 4,-1.8 -5,-0.0 3,-1.3 -0.739 57.8 -81.9-134.3 180.0 22.6 -12.1 32.6 31 36 A A H 3> S+ 0 0 64 1,-0.3 4,-1.6 -2,-0.2 5,-0.1 0.754 125.7 62.4 -55.1 -28.1 25.5 -13.7 34.3 32 37 A E H 3> S+ 0 0 112 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.862 104.6 46.6 -66.6 -33.6 24.7 -16.8 32.1 33 38 A D H <> S+ 0 0 14 -3,-1.3 4,-2.9 2,-0.2 5,-0.3 0.881 104.4 59.5 -76.5 -40.9 25.5 -14.7 29.1 34 39 A E H X S+ 0 0 87 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.912 109.6 46.3 -47.6 -44.9 28.7 -13.3 30.6 35 40 A E H X S+ 0 0 87 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.934 115.6 43.5 -67.2 -45.6 29.8 -17.0 30.7 36 41 A Y H X S+ 0 0 29 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.759 107.9 57.9 -76.2 -21.9 28.7 -17.8 27.2 37 42 A I H X S+ 0 0 6 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.882 107.3 50.0 -71.6 -38.6 30.1 -14.6 25.7 38 43 A Q H X S+ 0 0 93 -4,-1.5 4,-1.7 -5,-0.3 -2,-0.2 0.885 110.5 48.8 -62.6 -40.7 33.6 -15.7 27.1 39 44 A K H X S+ 0 0 49 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.884 107.9 54.9 -67.6 -39.8 33.1 -19.1 25.5 40 45 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.916 106.3 53.0 -53.8 -45.3 32.2 -17.4 22.3 41 46 A G H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.880 106.7 51.0 -58.9 -42.9 35.5 -15.6 22.5 42 47 A E H < S+ 0 0 122 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.841 113.8 45.1 -61.9 -37.4 37.4 -18.8 23.0 43 48 A V H < S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.861 119.3 40.7 -75.0 -36.5 35.7 -20.2 19.9 44 49 A L H >< S+ 0 0 0 -4,-2.4 3,-2.2 -5,-0.2 4,-0.3 0.775 92.1 84.3 -85.4 -29.4 36.2 -17.1 17.7 45 50 A E G >< S+ 0 0 105 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.800 94.4 41.1 -49.6 -48.0 39.8 -16.0 18.7 46 51 A D G 3 S+ 0 0 122 -4,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.436 114.2 56.4 -81.0 1.1 41.8 -18.2 16.3 47 52 A Q G <> S+ 0 0 22 -3,-2.2 4,-2.2 1,-0.1 3,-0.4 0.286 72.1 112.0-109.0 8.8 39.3 -17.5 13.5 48 53 A V H <> S+ 0 0 13 -3,-0.8 4,-2.9 -4,-0.3 5,-0.2 0.842 72.0 53.1 -57.0 -41.2 39.6 -13.7 13.6 49 54 A E H > S+ 0 0 123 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 112.5 45.5 -66.0 -39.0 41.2 -13.2 10.2 50 55 A E H > S+ 0 0 99 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.875 111.7 53.4 -69.0 -35.4 38.5 -15.2 8.5 51 56 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.961 110.0 47.1 -60.3 -49.5 35.8 -13.3 10.5 52 57 A L H X S+ 0 0 2 -4,-2.9 4,-3.2 1,-0.2 5,-0.4 0.897 110.4 51.6 -62.1 -42.3 37.3 -10.0 9.4 53 58 A D H X S+ 0 0 96 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.911 113.4 46.0 -59.4 -42.7 37.5 -11.1 5.7 54 59 A T H X S+ 0 0 61 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.888 115.5 46.4 -65.8 -41.5 33.8 -12.1 6.0 55 60 A W H X S+ 0 0 11 -4,-2.8 4,-2.0 2,-0.2 3,-0.4 0.961 116.4 41.0 -68.6 -55.1 32.8 -8.9 7.7 56 61 A Y H X S+ 0 0 27 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.824 109.5 62.7 -66.0 -25.2 34.6 -6.4 5.4 57 62 A G H X S+ 0 0 44 -4,-1.7 4,-1.1 -5,-0.4 -1,-0.2 0.893 105.2 46.4 -60.9 -42.7 33.5 -8.6 2.4 58 63 A F H >X S+ 0 0 21 -4,-1.4 3,-0.7 -3,-0.4 4,-0.6 0.955 113.1 48.3 -62.6 -50.2 29.9 -7.8 3.3 59 64 A V H >< S+ 0 0 5 -4,-2.0 3,-0.9 1,-0.2 7,-0.9 0.909 113.0 49.1 -58.8 -43.6 30.6 -4.0 3.8 60 65 A G H 3< S+ 0 0 36 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.681 98.5 67.3 -70.5 -21.5 32.5 -4.0 0.4 61 66 A S H << S+ 0 0 71 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.652 98.0 57.6 -73.8 -16.2 29.7 -5.8 -1.5 62 67 A H S XX S- 0 0 37 -3,-0.9 4,-2.4 -4,-0.6 3,-2.0 -0.946 70.4-154.9-123.1 113.1 27.3 -2.8 -1.1 63 68 A P H 3> S+ 0 0 107 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.814 94.8 56.7 -54.6 -38.0 28.5 0.7 -2.4 64 69 A H H 34 S+ 0 0 29 2,-0.2 4,-0.1 1,-0.2 -5,-0.0 0.567 114.6 41.4 -73.1 -9.8 26.3 2.7 -0.0 65 70 A L H X4 S+ 0 0 5 -3,-2.0 3,-1.9 -6,-0.3 4,-0.2 0.820 111.9 49.5 -97.5 -55.3 28.0 0.8 2.9 66 71 A L H >< S+ 0 0 39 -4,-2.4 3,-2.6 -7,-0.9 -2,-0.2 0.844 95.8 82.6 -47.1 -36.7 31.6 0.9 1.6 67 72 A Y G >< S+ 0 0 116 -4,-2.1 3,-2.0 -5,-0.3 62,-0.4 0.768 77.6 64.3 -31.6 -43.2 30.8 4.6 1.1 68 73 A Y G < S+ 0 0 36 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.666 105.4 45.0 -70.5 -14.7 31.5 5.3 4.8 69 74 A F G < S+ 0 0 31 -3,-2.6 8,-2.7 -4,-0.2 -1,-0.3 0.178 94.6 119.6-103.7 8.9 35.1 4.4 4.2 70 75 A T B < -A 76 0A 9 -3,-2.0 59,-0.5 6,-0.3 -3,-0.0 -0.558 59.5-131.8 -89.4 142.9 35.5 6.4 0.9 71 76 A S > - 0 0 28 4,-3.2 3,-1.9 -2,-0.2 57,-0.1 -0.356 46.9 -91.3 -71.1 163.9 37.8 9.2 -0.0 72 77 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 0.750 125.0 67.4 -54.7 -24.1 36.1 12.2 -1.7 73 78 A D T 3 S- 0 0 117 2,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.174 118.9-109.0 -82.5 14.4 36.7 10.6 -5.1 74 79 A G S < S+ 0 0 55 -3,-1.9 -1,-0.1 1,-0.2 -4,-0.0 0.441 82.5 120.4 74.0 2.6 34.3 7.9 -4.2 75 80 A T S S- 0 0 66 -4,-0.1 -4,-3.2 1,-0.1 -1,-0.2 -0.654 73.0 -91.4 -98.7 156.4 37.0 5.2 -3.9 76 81 A P B -A 70 0A 45 0, 0.0 2,-1.0 0, 0.0 -6,-0.3 -0.439 29.9-131.6 -69.3 132.7 37.8 3.3 -0.7 77 82 A N > - 0 0 27 -8,-2.7 4,-2.3 -2,-0.2 5,-0.1 -0.756 21.9-168.7 -81.6 104.3 40.4 4.8 1.5 78 83 A E H > S+ 0 0 132 -2,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.751 84.0 55.8 -74.1 -25.1 42.6 1.7 2.1 79 84 A K H > S+ 0 0 122 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.915 110.1 47.8 -64.1 -44.0 44.7 3.3 4.9 80 85 A Y H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.939 111.7 48.5 -63.9 -50.8 41.3 4.0 6.7 81 86 A L H X S+ 0 0 26 -4,-2.3 4,-2.3 -12,-0.2 -1,-0.2 0.897 112.6 48.3 -56.1 -48.2 40.1 0.4 6.2 82 87 A A H X S+ 0 0 55 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.884 113.2 46.4 -60.8 -42.2 43.3 -1.2 7.4 83 88 A A H X S+ 0 0 20 -4,-2.0 4,-1.1 1,-0.2 3,-0.3 0.920 115.5 45.2 -73.0 -43.9 43.6 1.0 10.6 84 89 A V H X S+ 0 0 28 -4,-2.5 4,-2.7 1,-0.2 3,-0.4 0.887 105.0 63.3 -64.1 -40.7 39.9 0.5 11.5 85 90 A R H X S+ 0 0 64 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.864 100.0 52.5 -56.1 -38.6 40.1 -3.2 10.8 86 91 A K H X S+ 0 0 122 -4,-1.2 4,-1.5 -3,-0.3 -1,-0.2 0.868 111.8 46.1 -67.2 -35.2 42.7 -3.7 13.6 87 92 A R H X S+ 0 0 30 -4,-1.1 4,-1.7 -3,-0.4 -2,-0.2 0.843 111.1 51.8 -74.2 -34.5 40.4 -1.9 16.1 88 93 A F H X S+ 0 0 35 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.923 107.6 54.0 -63.9 -44.6 37.4 -4.0 15.0 89 94 A S H X S+ 0 0 24 -4,-2.3 4,-1.2 1,-0.2 3,-0.2 0.905 109.4 46.8 -56.1 -45.2 39.5 -7.1 15.5 90 95 A R H X S+ 0 0 80 -4,-1.5 4,-3.0 1,-0.2 -1,-0.2 0.828 105.2 60.6 -65.8 -35.3 40.2 -6.1 19.1 91 96 A W H X S+ 0 0 24 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.845 98.9 57.4 -61.2 -34.2 36.5 -5.2 19.7 92 97 A I H X S+ 0 0 0 -4,-1.6 4,-1.2 -3,-0.2 -1,-0.2 0.954 112.9 40.7 -60.7 -46.3 35.6 -8.9 18.9 93 98 A L H X S+ 0 0 37 -4,-1.2 4,-2.7 2,-0.2 5,-0.3 0.902 113.5 53.3 -67.1 -45.2 38.0 -9.8 21.8 94 99 A D H X S+ 0 0 8 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.905 105.6 53.4 -55.7 -45.8 36.9 -7.0 24.1 95 100 A T H < S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.859 119.2 36.4 -56.9 -38.4 33.2 -8.0 23.7 96 101 A S H < S+ 0 0 2 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.789 129.2 28.9 -81.6 -35.0 34.2 -11.5 24.8 97 102 A N H < S+ 0 0 85 -4,-2.7 -3,-0.2 -5,-0.1 2,-0.2 0.662 94.9 87.6-113.3 -23.3 36.9 -10.7 27.4 98 103 A R S < S- 0 0 82 -4,-2.6 2,-0.4 -5,-0.3 -60,-0.0 -0.549 75.5-117.2 -79.9 148.7 36.3 -7.4 29.1 99 104 A S - 0 0 71 -2,-0.2 2,-2.0 1,-0.1 5,-0.3 -0.691 28.9-123.2 -73.0 134.0 34.1 -6.9 32.1 100 105 A Y + 0 0 19 -2,-0.4 2,-0.2 4,-0.1 -1,-0.1 -0.622 68.4 129.9 -83.0 81.6 31.2 -4.6 31.1 101 106 A D S > S- 0 0 61 -2,-2.0 4,-2.2 -81,-0.0 5,-0.2 -0.443 77.1 -68.1-120.1-165.6 32.1 -2.1 33.8 102 107 A Q H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -89,-0.3 0.850 131.0 51.7 -64.1 -36.8 32.6 1.7 33.8 103 108 A A H > S+ 0 0 35 2,-0.2 4,-1.9 1,-0.2 -96,-0.4 0.902 109.8 52.0 -63.2 -41.0 35.8 1.6 31.7 104 109 A W H > S+ 0 0 3 -5,-0.3 4,-2.0 2,-0.2 3,-0.2 0.943 108.6 49.9 -58.6 -49.1 33.9 -0.5 29.2 105 110 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.896 106.2 57.3 -55.8 -44.8 31.1 2.1 29.2 106 111 A D H X S+ 0 0 11 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.899 109.4 44.1 -53.4 -43.3 33.7 4.9 28.6 107 112 A Y H X S+ 0 0 11 -4,-1.9 4,-2.6 -3,-0.2 -1,-0.2 0.805 107.6 59.1 -75.1 -30.1 34.9 3.1 25.5 108 113 A Q H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.925 106.9 47.9 -59.5 -45.8 31.3 2.5 24.3 109 114 A Y H X S+ 0 0 48 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.962 111.7 50.7 -56.3 -49.5 30.8 6.3 24.4 110 115 A E H X S+ 0 0 5 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.902 109.1 50.2 -55.3 -45.5 34.1 6.7 22.4 111 116 A I H X S+ 0 0 21 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.929 110.6 49.7 -64.1 -43.7 33.0 4.2 19.7 112 117 A G H >X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 3,-0.7 0.938 109.5 51.9 -53.6 -49.7 29.6 5.9 19.3 113 118 A L H 3< S+ 0 0 5 -4,-2.5 6,-2.1 1,-0.2 7,-0.6 0.873 106.8 55.0 -56.7 -40.0 31.4 9.3 18.9 114 119 A R H 3< S+ 0 0 35 -4,-2.0 7,-0.3 1,-0.2 -1,-0.2 0.733 109.3 44.4 -67.6 -29.4 33.7 7.8 16.3 115 120 A H H << S+ 0 0 56 -4,-1.2 17,-1.6 -3,-0.7 -1,-0.2 0.789 109.2 71.7 -79.3 -32.5 30.8 6.6 14.1 116 121 A H S >X S- 0 0 6 -4,-2.0 4,-2.0 -5,-0.2 3,-1.0 -0.385 100.5-105.7 -80.6 158.0 29.1 10.0 14.6 117 122 A R T 34 S+ 0 0 110 1,-0.2 -1,-0.1 2,-0.2 -4,-0.1 0.770 109.5 81.4 -52.8 -24.6 30.2 13.3 13.0 118 123 A T T 34 S- 0 0 69 1,-0.2 -1,-0.2 -6,-0.1 -4,-0.2 0.905 120.8 -5.1 -49.0 -48.7 31.5 14.3 16.5 119 124 A K T X> S+ 0 0 51 -6,-2.1 3,-1.8 -3,-1.0 4,-0.6 0.361 92.5 135.3-130.4 1.7 34.8 12.3 16.1 120 125 A K T 3< S+ 0 0 8 -4,-2.0 -5,-0.1 -7,-0.6 8,-0.1 -0.346 80.0 10.1 -59.7 139.8 34.5 10.3 12.7 121 126 A N T 34>S+ 0 0 27 -7,-0.3 5,-1.6 6,-0.1 -1,-0.2 0.333 105.5 96.2 73.2 -2.5 37.7 10.5 10.6 122 127 A Q T <45S+ 0 0 121 -3,-1.8 3,-0.2 3,-0.2 -2,-0.1 0.840 72.7 58.5 -82.3 -33.3 39.7 12.1 13.5 123 128 A T T <5S+ 0 0 41 -4,-0.6 -1,-0.1 1,-0.2 -3,-0.1 0.898 120.2 28.3 -67.2 -38.5 41.3 8.9 14.9 124 129 A D T 5S- 0 0 14 2,-0.1 -1,-0.2 -121,-0.0 -2,-0.2 0.384 104.5-125.7-102.8 3.2 43.0 8.1 11.7 125 130 A N T 5 + 0 0 142 -4,-0.2 2,-0.3 -3,-0.2 -3,-0.2 0.930 58.4 149.2 52.5 53.4 43.3 11.6 10.4 126 131 A V < - 0 0 18 -5,-1.6 2,-0.7 -47,-0.0 -1,-0.2 -0.797 53.8-121.3-116.1 158.3 41.6 10.9 7.1 127 132 A E + 0 0 156 -2,-0.3 2,-0.3 -5,-0.0 -6,-0.1 -0.892 60.1 124.8 -95.2 108.9 39.4 12.7 4.6 128 133 A S - 0 0 22 -2,-0.7 -57,-0.2 -57,-0.1 -60,-0.1 -0.843 66.3 -45.2-148.8-172.4 36.1 10.7 4.4 129 134 A V - 0 0 15 -59,-0.5 -1,-0.1 -62,-0.4 3,-0.1 -0.259 52.6-129.3 -64.8 145.1 32.4 11.2 4.7 130 135 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -10,-0.3 0.777 78.7 16.8 -75.4 -22.1 31.5 13.2 7.9 131 136 A N - 0 0 15 -14,-0.1 2,-0.7 -15,-0.1 -15,-0.2 -0.996 61.1-133.5-150.3 142.7 28.8 10.9 9.5 132 137 A I - 0 0 28 -17,-1.6 5,-0.1 -2,-0.3 -15,-0.1 -0.926 43.7-112.7 -98.3 116.7 27.5 7.3 9.3 133 138 A G >> - 0 0 4 -2,-0.7 3,-2.0 1,-0.2 4,-0.7 -0.258 18.4-131.8 -52.3 126.6 23.7 7.6 9.2 134 139 A Y H >> S+ 0 0 0 246,-2.2 4,-1.7 1,-0.3 3,-0.6 0.772 100.5 75.6 -54.9 -28.0 22.4 6.1 12.5 135 140 A R H 3> S+ 0 0 39 246,-1.9 4,-1.8 1,-0.2 -1,-0.3 0.850 96.7 46.7 -53.4 -34.3 20.0 4.0 10.4 136 141 A Y H <> S+ 0 0 12 -3,-2.0 4,-2.3 245,-0.3 -1,-0.2 0.740 102.0 62.1 -85.2 -24.5 22.8 1.7 9.4 137 142 A L H < S+ 0 0 0 -4,-1.7 3,-1.7 1,-0.2 4,-0.5 0.958 113.3 54.0 -59.9 -51.1 20.9 -0.3 14.0 139 144 A A H >< S+ 0 0 0 -4,-1.8 3,-1.6 1,-0.3 -2,-0.2 0.901 100.5 62.2 -48.3 -44.0 20.7 -2.3 10.7 140 145 A F H 3X S+ 0 0 42 -4,-2.3 4,-2.3 1,-0.3 5,-0.3 0.624 78.7 82.5 -68.7 -15.5 24.2 -3.8 11.3 141 146 A I H S+ 0 0 14 -3,-1.6 4,-2.5 -4,-0.5 5,-0.2 0.970 110.4 42.6 -65.6 -54.2 21.8 -8.2 12.2 143 148 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.851 109.6 58.9 -63.4 -31.9 24.8 -8.9 10.0 144 149 A I H X S+ 0 0 13 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.940 111.8 41.8 -55.4 -46.1 27.2 -8.8 12.9 145 150 A T H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.906 115.4 49.6 -67.5 -42.8 25.2 -11.7 14.4 146 151 A A H < S+ 0 0 26 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.807 110.2 52.2 -67.1 -30.4 24.9 -13.5 11.0 147 152 A T H X S+ 0 0 10 -4,-2.6 4,-0.7 -5,-0.2 -1,-0.2 0.942 112.1 43.8 -69.4 -47.9 28.6 -13.1 10.4 148 153 A M H X S+ 0 0 3 -4,-2.0 4,-1.5 -5,-0.2 3,-0.2 0.816 97.5 77.9 -68.2 -31.9 29.5 -14.7 13.8 149 154 A K H >X S+ 0 0 52 -4,-1.9 4,-0.8 1,-0.2 3,-0.7 0.893 92.2 47.1 -51.3 -54.1 27.0 -17.5 13.6 150 155 A P H >4 S+ 0 0 59 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.928 111.9 51.7 -56.0 -42.4 28.9 -19.9 11.2 151 156 A F H >< S+ 0 0 4 -4,-0.7 3,-0.7 1,-0.3 -2,-0.2 0.726 99.1 63.4 -65.8 -27.2 32.2 -19.5 13.2 152 157 A L H << S+ 0 0 0 -4,-1.5 5,-0.4 -3,-0.7 3,-0.3 0.749 103.2 50.4 -70.8 -22.1 30.6 -20.4 16.5 153 158 A A T << S+ 0 0 52 -3,-1.1 3,-0.4 -4,-0.8 -1,-0.2 0.541 90.0 82.1 -87.1 -9.1 29.8 -23.9 15.1 154 159 A R S < S+ 0 0 141 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.1 0.238 82.5 57.9 -85.7 17.0 33.3 -24.7 13.8 155 160 A K S S- 0 0 95 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.068 117.4-107.2-149.3 35.4 35.0 -25.8 17.0 156 161 A G + 0 0 69 -3,-0.4 -2,-0.1 1,-0.2 -3,-0.1 -0.259 61.2 153.1-131.5 76.5 32.8 -28.0 17.3 157 162 A H - 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0 0 16 -5,-2.3 2,-0.5 -47,-0.0 -1,-0.2 -0.671 53.1-124.4-113.1 168.4 -3.8 9.5 28.0 318 132 B E + 0 0 154 -2,-0.2 2,-0.2 -5,-0.0 -6,-0.1 -0.978 55.0 125.3-118.1 114.4 -1.5 11.2 30.4 319 133 B S - 0 0 17 -2,-0.5 -57,-0.2 -57,-0.2 -59,-0.1 -0.744 64.8 -35.1-149.8-170.7 1.8 9.3 30.8 320 134 B V - 0 0 12 -59,-0.6 -1,-0.1 -62,-0.4 3,-0.1 -0.360 56.2-131.7 -62.6 139.9 5.5 9.7 30.6 321 135 B P S S+ 0 0 79 0, 0.0 2,-0.3 0, 0.0 -10,-0.2 0.817 77.6 17.4 -65.8 -34.5 6.4 12.1 27.7 322 136 B N - 0 0 18 -14,-0.1 2,-0.7 -12,-0.1 -15,-0.2 -0.997 61.1-135.0-144.5 140.5 9.1 10.1 25.9 323 137 B I - 0 0 27 -17,-1.8 5,-0.1 -2,-0.3 -15,-0.1 -0.891 41.7-117.2 -94.4 114.3 10.4 6.5 25.6 324 138 B G >> - 0 0 3 -2,-0.7 3,-1.6 1,-0.2 4,-0.6 -0.276 16.4-131.5 -53.9 131.7 14.2 6.8 25.7 325 139 B Y H >> S+ 0 0 0 -136,-2.0 4,-1.7 1,-0.3 3,-0.6 0.743 99.6 75.1 -61.7 -29.2 15.6 5.5 22.4 326 140 B R H 3> S+ 0 0 37 -136,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.880 98.1 47.7 -48.3 -39.9 18.2 3.3 24.2 327 141 B Y H <> S+ 0 0 13 -3,-1.6 4,-2.3 -137,-0.3 -1,-0.2 0.754 102.2 60.7 -78.0 -27.4 15.3 0.9 25.0 328 142 B L H < S+ 0 0 0 -4,-1.7 3,-1.8 1,-0.2 4,-0.5 0.958 113.9 54.3 -58.3 -51.4 17.2 -0.6 20.2 330 144 B A H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.3 -2,-0.2 0.880 100.8 61.3 -52.3 -38.9 17.4 -2.8 23.4 331 145 B F H 3X S+ 0 0 43 -4,-2.3 4,-2.3 1,-0.3 5,-0.3 0.622 78.9 82.9 -73.5 -13.6 14.0 -4.3 22.6 332 146 B I H S+ 0 0 14 -3,-1.3 4,-2.6 -4,-0.5 5,-0.2 0.965 111.3 41.2 -59.6 -60.7 16.4 -8.6 21.5 334 148 B P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.810 111.6 58.1 -61.4 -30.4 13.4 -9.5 23.7 335 149 B I H X S+ 0 0 13 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.965 111.7 40.8 -63.0 -49.0 10.9 -9.1 20.7 336 150 B T H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.916 114.8 52.1 -65.1 -43.5 12.9 -11.8 18.8 337 151 B A H < S+ 0 0 25 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.803 109.1 51.7 -60.0 -32.7 13.3 -14.0 21.9 338 152 B T H X S+ 0 0 9 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.2 0.896 111.2 44.7 -74.2 -38.7 9.6 -13.8 22.5 339 153 B M H X S+ 0 0 2 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.784 96.1 80.8 -73.1 -28.4 8.5 -14.9 19.0 340 154 B K H >X S+ 0 0 48 -4,-1.7 3,-1.1 1,-0.2 4,-0.5 0.884 92.6 42.2 -51.6 -60.7 11.1 -17.7 18.9 341 155 B P H >> S+ 0 0 68 0, 0.0 3,-1.2 0, 0.0 4,-0.7 0.880 113.5 54.2 -52.0 -44.2 9.2 -20.5 20.9 342 156 B F H 3< S+ 0 0 5 -4,-0.6 -2,-0.2 1,-0.3 4,-0.2 0.694 98.0 64.0 -66.5 -21.5 5.9 -19.7 19.2 343 157 B L H << S+ 0 0 0 -4,-1.2 3,-0.3 -3,-1.1 -1,-0.3 0.701 103.3 47.9 -77.1 -17.7 7.4 -20.1 15.7 344 158 B A H XX S+ 0 0 48 -3,-1.2 3,-1.5 -4,-0.5 4,-0.5 0.665 88.9 84.4 -91.1 -18.3 8.1 -23.8 16.3 345 159 B R T 3< S+ 0 0 152 -4,-0.7 -1,-0.1 1,-0.3 -2,-0.1 0.524 78.2 64.2 -72.7 -9.2 4.7 -24.8 17.7 346 160 B K T 34 S- 0 0 95 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.156 117.3-105.2 -97.5 16.2 3.0 -25.4 14.4 347 161 B G T <4 + 0 0 69 -3,-1.5 2,-0.2 1,-0.2 -2,-0.2 0.916 61.8 156.9 64.6 53.1 5.3 -28.3 13.7 348 162 B H < - 0 0 51 -4,-0.5 -1,-0.2 -5,-0.2 -5,-0.0 -0.606 49.0 -90.1 -97.8 165.3 7.8 -27.0 11.1 349 163 B T >> - 0 0 85 -2,-0.2 4,-2.7 1,-0.1 3,-0.5 -0.421 38.6-109.8 -70.9 150.6 11.3 -28.4 10.4 350 164 B P H 3> S+ 0 0 112 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.765 121.0 51.3 -48.7 -33.4 14.2 -26.9 12.4 351 165 B E H 3> S+ 0 0 125 2,-0.2 4,-1.8 3,-0.1 5,-0.1 0.856 111.0 48.3 -74.7 -33.1 15.6 -25.2 9.3 352 166 B E H <> S+ 0 0 38 -3,-0.5 4,-2.2 2,-0.2 5,-0.2 0.899 112.2 48.2 -67.4 -45.6 12.1 -23.7 8.5 353 167 B V H X S+ 0 0 13 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.951 112.0 50.2 -57.5 -51.5 11.8 -22.4 12.1 354 168 B E H X S+ 0 0 38 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.891 110.5 50.1 -52.7 -44.5 15.3 -21.0 11.9 355 169 B K H X S+ 0 0 74 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.872 111.3 47.1 -66.8 -39.6 14.4 -19.3 8.6 356 170 B M H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.917 114.8 48.1 -66.1 -46.4 11.1 -17.8 10.0 357 171 B Y H X S+ 0 0 2 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.894 111.2 48.9 -57.3 -47.2 13.1 -16.5 13.2 358 172 B Q H X S+ 0 0 20 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.880 111.3 50.7 -65.5 -36.8 15.9 -15.0 11.1 359 173 B A H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.892 110.8 48.9 -65.4 -40.0 13.3 -13.3 8.9 360 174 B W H X S+ 0 0 1 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.923 110.7 50.6 -65.9 -44.1 11.6 -11.9 12.1 361 175 B F H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.951 112.9 46.2 -56.6 -51.5 15.0 -10.7 13.5 362 176 B K H X S+ 0 0 22 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.914 114.8 46.9 -56.4 -46.4 15.8 -8.9 10.2 363 177 B A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.865 111.8 49.3 -69.0 -38.9 12.3 -7.4 10.0 364 178 B T H X S+ 0 0 5 -4,-2.9 4,-2.1 2,-0.2 5,-0.2 0.935 113.0 47.9 -66.7 -43.7 12.3 -6.2 13.6 365 179 B T H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.911 109.1 54.0 -60.9 -43.6 15.8 -4.6 13.2 366 180 B L H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.947 110.3 47.1 -57.4 -48.4 14.7 -2.9 9.9 367 181 B Q H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.899 109.5 50.3 -62.1 -46.2 11.7 -1.3 11.7 368 182 B V H X S+ 0 0 8 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.887 107.5 56.7 -65.6 -33.1 13.6 -0.0 14.8 369 183 B A H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 4,-0.2 0.933 110.1 44.2 -61.1 -44.1 16.2 1.5 12.4 370 184 B L H >< S+ 0 0 3 -4,-1.6 3,-1.7 1,-0.2 -2,-0.2 0.878 107.0 59.8 -65.5 -37.7 13.4 3.5 10.7 371 185 B W H 3< S+ 0 0 22 -4,-2.5 4,-0.4 1,-0.3 -1,-0.2 0.598 87.5 76.5 -70.7 -10.7 11.8 4.4 14.0 372 186 B S T XX S+ 0 0 0 -3,-0.9 4,-1.6 -4,-0.6 3,-0.9 0.733 70.7 92.4 -69.5 -20.0 15.0 6.2 15.0 373 187 B Y G X4 S+ 0 0 57 -3,-1.7 3,-0.8 1,-0.2 -1,-0.2 0.878 85.8 40.8 -43.6 -59.9 14.1 9.1 12.7 374 188 B P G 34 S+ 0 0 7 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.762 117.9 51.6 -66.4 -18.4 12.2 11.4 15.2 375 189 B Y G <4 S+ 0 0 0 -3,-0.9 -189,-2.3 -4,-0.4 2,-0.2 0.776 91.8 88.0 -82.8 -27.4 14.9 10.7 17.8 376 190 B V B << S-B 185 0B 4 -4,-1.6 -191,-0.3 -3,-0.8 5,-0.2 -0.548 89.9 -97.7 -86.8 136.2 18.0 11.4 15.8 377 191 B K > - 0 0 79 -193,-3.2 3,-2.8 -2,-0.2 4,-0.3 -0.233 60.6 -86.5 -43.4 127.4 19.7 14.9 15.5 378 192 B Y T 3 S+ 0 0 206 1,-0.3 -1,-0.1 2,-0.1 -5,-0.0 -0.143 116.0 14.6 -45.7 126.2 18.4 16.4 12.3 379 193 B G T 3 S+ 0 0 49 -3,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.267 104.7 91.0 92.0 -6.9 20.7 15.3 9.4 380 194 B D < 0 0 8 -3,-2.8 -246,-2.2 -196,-0.1 -2,-0.1 0.488 360.0 360.0 -99.3 -3.0 22.4 12.5 11.4 381 195 B F 0 0 29 -4,-0.3 -246,-1.9 -248,-0.3 -245,-0.3 0.858 360.0 360.0 -79.0 360.0 19.9 9.7 10.4