==== 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 ISOMERASE 11-JAN-04 1S2W . COMPND 2 MOLECULE: PHOSPHOENOLPYRUVATE PHOSPHOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYTILUS EDULIS; . AUTHOR S.LIU,Z.LU,Y.HAN,Y.JIA,A.HOWARD,D.DUNAWAY-MARIANO,O.HERZBERG . 258 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 11 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 1 1 0 0 3 0 1 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 3 2 1 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 . 1 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 1 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 4 A K 0 0 246 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.0 14.3 47.4 10.1 2 5 A V - 0 0 69 1,-0.1 5,-0.1 2,-0.0 0, 0.0 -0.789 360.0-111.8 -94.0 130.8 14.7 44.3 12.3 3 6 A K > - 0 0 95 -2,-0.4 4,-2.4 1,-0.1 5,-0.1 -0.289 23.1-123.0 -57.6 144.8 12.5 44.2 15.4 4 7 A K H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.849 112.7 56.0 -59.6 -36.7 14.6 44.4 18.6 5 8 A T H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.959 109.3 46.2 -59.1 -50.2 13.1 41.1 19.8 6 9 A T H > S+ 0 0 19 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.902 108.9 56.3 -59.6 -40.2 14.3 39.4 16.6 7 10 A Q H X S+ 0 0 49 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.922 110.3 44.4 -57.6 -46.9 17.7 41.1 17.0 8 11 A L H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.902 112.5 50.8 -65.3 -42.1 18.2 39.6 20.5 9 12 A K H X S+ 0 0 56 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.902 108.5 52.5 -64.5 -39.4 17.0 36.2 19.5 10 13 A Q H X S+ 0 0 115 -4,-2.7 4,-0.9 -5,-0.2 -1,-0.2 0.918 110.1 49.5 -62.7 -41.0 19.4 36.1 16.6 11 14 A M H >< S+ 0 0 6 -4,-1.8 3,-0.7 -5,-0.2 -2,-0.2 0.916 108.4 51.7 -63.8 -43.3 22.2 37.0 19.0 12 15 A L H 3< S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.861 118.1 38.9 -62.3 -32.6 21.3 34.3 21.4 13 16 A N H 3< S+ 0 0 86 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.448 91.6 115.5 -98.9 0.6 21.3 31.7 18.6 14 17 A S S << S- 0 0 38 -4,-0.9 4,-0.1 -3,-0.7 -3,-0.1 -0.119 72.2-120.1 -68.6 167.8 24.3 32.9 16.6 15 18 A K S S+ 0 0 202 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.461 89.7 73.7 -85.9 -2.9 27.5 31.0 16.0 16 19 A D S S- 0 0 117 -5,-0.1 2,-0.4 199,-0.1 -2,-0.1 -0.788 92.5-100.6-112.0 157.3 29.7 33.8 17.6 17 20 A L - 0 0 15 -2,-0.3 2,-0.2 199,-0.1 199,-0.2 -0.632 47.4-158.5 -72.9 126.6 30.2 34.8 21.3 18 21 A E E -a 216 0A 16 197,-2.3 199,-2.7 -2,-0.4 2,-0.4 -0.672 5.7-150.4-107.6 162.2 28.0 37.9 21.7 19 22 A F E -a 217 0A 49 -2,-0.2 19,-0.6 197,-0.2 2,-0.4 -0.998 9.6-172.7-135.8 136.4 28.2 40.6 24.3 20 23 A I E -a 218 0A 1 197,-2.0 199,-2.4 -2,-0.4 2,-0.4 -0.966 16.4-143.0-127.2 149.0 25.6 42.9 25.9 21 24 A M E -ab 219 40A 19 18,-1.7 20,-2.0 -2,-0.4 199,-0.1 -0.896 20.1-107.6-116.2 138.7 26.5 45.8 28.3 22 25 A E E + b 0 41A 1 197,-1.9 2,-0.3 -2,-0.4 20,-0.2 -0.305 34.3 176.7 -62.9 141.3 24.7 47.1 31.4 23 26 A A E - b 0 42A 0 18,-1.9 20,-1.7 197,-0.1 22,-0.1 -0.973 12.3-173.4-141.9 142.0 22.7 50.4 31.2 24 27 A H + 0 0 10 -2,-0.3 2,-0.3 18,-0.2 24,-0.1 0.334 66.0 7.2-122.5 2.6 20.7 51.8 34.1 25 28 A N S > S- 0 0 51 1,-0.1 4,-2.1 23,-0.1 5,-0.2 -0.960 89.0 -77.9-167.3 179.0 18.9 54.8 32.6 26 29 A G H > S+ 0 0 24 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.907 122.5 48.9 -57.7 -46.0 18.3 56.6 29.4 27 30 A L H > S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 112.7 45.9 -63.1 -47.3 21.6 58.4 29.2 28 31 A S H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.858 109.1 56.7 -65.9 -33.3 23.7 55.3 29.7 29 32 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.931 107.9 48.7 -61.8 -42.6 21.6 53.3 27.3 30 33 A R H X S+ 0 0 78 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.920 110.8 49.8 -62.5 -42.7 22.4 55.9 24.7 31 34 A I H X S+ 0 0 81 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.888 108.5 52.3 -64.7 -38.5 26.1 55.7 25.5 32 35 A V H X>S+ 0 0 3 -4,-2.5 5,-1.4 2,-0.2 4,-0.6 0.919 111.6 47.3 -64.7 -41.2 26.2 51.9 25.2 33 36 A Q H ><5S+ 0 0 53 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.969 109.1 52.6 -63.9 -50.8 24.5 52.1 21.8 34 37 A E H 3<5S+ 0 0 92 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.778 103.1 61.0 -57.4 -24.9 26.9 54.8 20.6 35 38 A A H 3<5S- 0 0 76 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.686 120.2-104.0 -77.0 -18.4 29.9 52.6 21.6 36 39 A G T <<5 + 0 0 57 -3,-2.0 -3,-0.2 -4,-0.6 -2,-0.1 0.409 65.6 150.2 113.5 -4.2 28.9 49.8 19.2 37 40 A F < - 0 0 65 -5,-1.4 -1,-0.3 1,-0.1 -17,-0.1 -0.386 41.2-144.9 -63.8 141.5 27.3 47.2 21.6 38 41 A K S S+ 0 0 106 -19,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.459 76.6 14.1 -87.6 -3.2 24.6 45.1 19.9 39 42 A G - 0 0 0 -20,-0.3 -18,-1.7 30,-0.2 2,-0.4 -0.983 66.1-129.9-166.0 162.3 22.5 44.8 23.0 40 43 A I E -bc 21 71A 1 30,-2.9 32,-2.9 -2,-0.3 2,-0.7 -0.923 9.8-143.3-123.7 141.5 21.8 46.2 26.5 41 44 A W E -bc 22 72A 4 -20,-2.0 -18,-1.9 -2,-0.4 2,-0.9 -0.933 23.9-144.6-101.1 109.6 21.4 44.5 29.8 42 45 A G E +bc 23 73A 1 30,-2.5 32,-2.7 -2,-0.7 2,-0.3 -0.691 45.8 130.3 -81.6 107.4 18.8 46.5 31.7 43 46 A S + 0 0 19 -20,-1.7 -20,-0.1 -2,-0.9 181,-0.1 -0.986 42.3 39.6-155.0 157.2 19.8 46.5 35.3 44 47 A G > + 0 0 18 -2,-0.3 4,-1.9 30,-0.2 5,-0.2 0.664 65.2 134.3 76.0 17.9 20.4 48.8 38.3 45 48 A L H > S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.901 70.1 50.8 -65.6 -40.1 17.4 50.9 37.5 46 49 A S H >>S+ 0 0 46 2,-0.2 5,-2.7 1,-0.2 4,-1.0 0.873 110.4 46.5 -66.1 -40.9 16.2 51.0 41.1 47 50 A V H 45S+ 0 0 85 3,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.908 111.1 53.3 -68.8 -40.7 19.5 52.0 42.6 48 51 A S H <5S+ 0 0 54 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.933 120.2 32.4 -58.0 -49.4 20.0 54.7 40.1 49 52 A A H <5S- 0 0 56 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.558 110.4-124.6 -84.8 -10.4 16.6 56.2 40.8 50 53 A Q T <5 0 0 151 -4,-1.0 -3,-0.2 1,-0.2 -4,-0.1 0.905 360.0 360.0 65.7 45.8 16.8 55.1 44.5 51 54 A L < 0 0 97 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.756 360.0 360.0 -88.5 360.0 13.6 53.2 44.5 52 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 53 64 A W > 0 0 129 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -41.4 7.4 47.3 39.0 54 65 A T H > + 0 0 96 2,-0.2 4,-1.0 1,-0.2 0, 0.0 0.920 360.0 39.9 -68.5 -44.3 5.3 50.3 37.9 55 66 A Q H > S+ 0 0 112 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.831 114.2 55.0 -73.5 -33.6 8.2 52.7 38.3 56 67 A V H > S+ 0 0 23 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.914 105.0 51.9 -65.8 -45.2 10.7 50.3 36.9 57 68 A V H X S+ 0 0 9 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.831 103.1 60.9 -61.8 -32.5 8.7 49.8 33.7 58 69 A E H X S+ 0 0 107 -4,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.927 103.7 48.5 -60.2 -46.8 8.6 53.6 33.3 59 70 A V H X S+ 0 0 24 -4,-1.3 4,-3.0 -3,-0.2 -1,-0.2 0.871 107.4 56.0 -62.3 -38.2 12.4 53.8 33.1 60 71 A L H X S+ 0 0 0 -4,-1.5 4,-4.3 2,-0.2 5,-0.3 0.900 102.2 55.0 -62.0 -41.4 12.5 51.0 30.5 61 72 A E H X S+ 0 0 84 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.918 112.3 45.2 -57.5 -41.7 10.2 52.9 28.2 62 73 A F H X S+ 0 0 113 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.927 115.3 45.3 -67.2 -46.1 12.7 55.7 28.4 63 74 A M H < S+ 0 0 0 -4,-3.0 4,-0.3 1,-0.2 -2,-0.2 0.923 115.4 48.6 -63.6 -42.7 15.7 53.4 27.9 64 75 A S H >< S+ 0 0 3 -4,-4.3 3,-1.3 1,-0.2 -2,-0.2 0.913 111.0 48.8 -63.1 -45.0 13.9 51.7 25.1 65 76 A D H 3< S+ 0 0 116 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.739 109.5 55.5 -68.0 -19.6 12.9 55.0 23.4 66 77 A A T 3< S+ 0 0 43 -4,-1.3 2,-0.3 -3,-0.2 -1,-0.2 0.414 109.1 48.7 -93.7 2.9 16.5 56.1 23.8 67 78 A S < - 0 0 2 -3,-1.3 -37,-0.1 -4,-0.3 4,-0.1 -0.972 52.8-157.5-143.9 157.4 18.1 53.1 21.9 68 79 A D S S+ 0 0 105 -2,-0.3 -1,-0.1 -38,-0.1 -4,-0.1 0.539 75.3 83.6-105.5 -17.1 17.8 51.1 18.7 69 80 A V S S- 0 0 19 1,-0.1 -30,-0.2 -32,-0.1 -65,-0.1 -0.570 91.3 -88.6 -89.0 155.1 19.5 47.9 20.1 70 81 A P - 0 0 1 0, 0.0 -30,-2.9 0, 0.0 2,-0.5 -0.309 32.1-147.1 -65.3 143.9 17.6 45.3 22.1 71 82 A I E -c 40 0A 4 25,-0.3 27,-1.6 -32,-0.2 28,-1.2 -0.947 3.6-159.7-111.4 128.2 17.4 45.5 25.9 72 83 A L E -cd 41 99A 1 -32,-2.9 -30,-2.5 -2,-0.5 2,-0.3 -0.957 24.2-133.2-105.4 118.3 17.3 42.2 27.9 73 84 A L E -cd 42 100A 11 26,-2.5 28,-2.9 -2,-0.6 2,-1.5 -0.606 4.4-142.6 -80.7 132.0 15.7 43.0 31.3 74 85 A D E - d 0 101A 28 -32,-2.7 2,-0.4 -2,-0.3 -30,-0.2 -0.745 36.3-166.9 -87.3 86.5 17.4 41.8 34.5 75 86 A A + 0 0 3 -2,-1.5 28,-0.4 26,-1.4 3,-0.1 -0.681 33.4 153.2 -87.6 127.8 14.0 41.1 36.1 76 87 A D + 0 0 109 -2,-0.4 2,-0.3 26,-0.1 -1,-0.1 0.192 67.3 41.4-134.9 15.2 13.7 40.4 39.8 77 88 A T S S+ 0 0 69 -24,-0.0 -1,-0.1 1,-0.0 0, 0.0 -0.954 86.4 54.9-152.0 162.1 10.1 41.7 40.4 78 89 A G S S+ 0 0 15 -2,-0.3 10,-0.4 -3,-0.1 3,-0.1 0.430 89.4 76.5 92.7 -4.5 6.8 41.4 38.6 79 90 A Y + 0 0 21 1,-0.1 6,-0.1 9,-0.1 44,-0.0 -0.099 47.3 130.0-130.4 37.1 6.5 37.6 38.2 80 91 A G S S+ 0 0 69 4,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.747 81.7 9.3 -60.8 -30.9 5.5 36.6 41.7 81 92 A N S > S- 0 0 74 -3,-0.1 4,-2.0 1,-0.0 5,-0.1 -0.830 90.6 -94.2-138.9-179.0 2.6 34.5 40.4 82 93 A F H > S+ 0 0 63 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.897 119.1 52.1 -71.2 -40.1 1.5 33.3 37.0 83 94 A N H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 113.1 46.7 -60.7 -44.5 -1.0 36.1 36.2 84 95 A N H > S+ 0 0 71 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.909 110.0 52.9 -65.0 -41.6 1.7 38.7 37.0 85 96 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.927 111.5 46.1 -59.9 -46.1 4.4 36.9 34.9 86 97 A R H X S+ 0 0 81 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.905 113.8 48.6 -64.2 -40.5 2.1 36.8 31.9 87 98 A R H X S+ 0 0 138 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.895 106.8 57.4 -66.7 -38.0 1.1 40.4 32.4 88 99 A L H X S+ 0 0 13 -4,-2.9 4,-2.5 -10,-0.4 5,-0.2 0.898 104.4 51.3 -59.4 -42.7 4.8 41.4 32.7 89 100 A V H X S+ 0 0 3 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.948 110.8 48.5 -60.5 -48.2 5.6 39.9 29.3 90 101 A R H X S+ 0 0 98 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.914 111.3 49.8 -58.2 -46.7 2.8 41.9 27.7 91 102 A K H X S+ 0 0 77 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.922 113.7 44.8 -59.3 -46.4 3.9 45.1 29.3 92 103 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.0 2,-0.2 3,-0.6 0.914 110.9 53.8 -65.8 -42.4 7.5 44.7 28.2 93 104 A E H ><5S+ 0 0 24 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.933 107.8 51.6 -55.8 -47.4 6.5 43.7 24.7 94 105 A D H 3<5S+ 0 0 116 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.733 107.7 52.9 -64.4 -24.1 4.5 46.8 24.4 95 106 A R T <<5S- 0 0 58 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.312 118.4-105.7 -97.6 10.8 7.3 49.0 25.5 96 107 A G T < 5 + 0 0 31 -3,-1.6 -25,-0.3 1,-0.3 -3,-0.2 0.509 67.3 150.5 82.1 3.1 9.8 47.7 23.0 97 108 A V < - 0 0 1 -5,-2.0 -1,-0.3 -6,-0.2 -25,-0.1 -0.467 38.3-148.5 -67.8 142.8 11.8 45.6 25.5 98 109 A A - 0 0 0 -27,-1.6 39,-2.2 1,-0.2 2,-0.3 0.723 61.6 -19.9 -90.0 -23.9 13.3 42.6 23.7 99 110 A G E -de 72 137A 0 -28,-1.2 -26,-2.5 37,-0.2 2,-0.4 -0.988 52.8-125.9-170.9 172.7 13.4 40.0 26.4 100 111 A A E -de 73 138A 1 37,-2.6 39,-2.8 -2,-0.3 2,-0.6 -0.996 10.6-146.6-136.8 138.9 13.3 39.2 30.1 101 112 A C E -de 74 139A 1 -28,-2.9 -26,-1.4 -2,-0.4 2,-0.4 -0.935 20.0-168.0-106.2 117.6 15.7 37.2 32.3 102 113 A L E - e 0 140A 2 37,-2.7 39,-3.3 -2,-0.6 2,-0.3 -0.880 7.4-147.9-107.4 138.9 13.8 35.5 35.1 103 114 A E E - e 0 141A 30 -28,-0.4 39,-0.2 -2,-0.4 37,-0.0 -0.856 17.8-150.5-114.5 146.0 15.7 33.9 38.0 104 115 A D + 0 0 0 37,-1.9 11,-3.1 -2,-0.3 2,-0.1 0.318 58.7 126.7 -90.9 7.5 14.9 30.8 40.2 105 116 A K B +I 114 0B 62 9,-0.2 9,-0.2 36,-0.2 -2,-0.1 -0.402 31.3 174.8 -67.5 139.2 16.7 32.3 43.2 106 117 A L 0 0 106 7,-1.2 -1,-0.1 -2,-0.1 8,-0.1 -0.281 360.0 360.0-139.4 47.5 14.8 32.5 46.5 107 118 A F 0 0 112 5,-0.1 40,-0.0 0, 0.0 7,-0.0 0.048 360.0 360.0 -86.2 360.0 17.4 33.8 48.9 108 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 109 127 A G > 0 0 84 0, 0.0 3,-1.0 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 7.5 25.1 31.0 50.9 110 128 A R T 3 + 0 0 191 1,-0.2 38,-0.3 38,-0.1 37,-0.1 -0.410 360.0 11.9 -75.1 145.7 25.1 27.2 50.7 111 129 A A T 3 S+ 0 0 79 36,-2.5 -1,-0.2 1,-0.2 37,-0.2 0.607 85.4 154.3 66.8 14.2 21.9 25.1 50.8 112 130 A Q < - 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0 0 1 -5,-2.2 -1,-0.2 1,-0.2 -27,-0.2 -0.303 35.1-144.6 -55.9 136.9 13.3 29.3 27.6 167 185 A D S S- 0 0 15 -29,-2.5 2,-0.3 1,-0.2 -28,-0.2 0.687 80.1 -2.7 -76.4 -19.1 15.2 30.9 24.7 168 186 A A E -f 139 0A 0 -30,-0.9 -28,-2.4 24,-0.1 2,-0.5 -0.970 66.0-126.0-165.3 159.3 18.5 30.6 26.7 169 187 A I E -fg 140 194A 0 24,-2.3 26,-2.9 -2,-0.3 2,-0.9 -0.957 13.4-151.7-113.7 128.3 19.8 29.6 30.1 170 188 A L E -fg 141 195A 0 -30,-2.5 -28,-2.5 -2,-0.5 2,-0.7 -0.895 16.2-162.0 -99.1 105.8 21.8 32.0 32.1 171 189 A M E -f 142 0A 0 24,-1.6 26,-0.4 -2,-0.9 2,-0.2 -0.814 12.6-157.5 -91.1 118.0 24.1 29.7 34.2 172 190 A H + 0 0 7 -30,-1.5 -27,-0.4 -2,-0.7 2,-0.3 -0.643 20.0 168.5-103.2 155.7 25.5 31.6 37.1 173 191 A S - 0 0 0 24,-0.4 27,-0.4 -2,-0.2 28,-0.2 -0.966 23.5-161.6-157.3 145.1 28.5 31.2 39.4 174 192 A K + 0 0 109 -2,-0.3 -1,-0.0 26,-0.1 2,-0.0 0.219 54.9 118.5-114.0 10.8 30.2 33.3 41.9 175 193 A K S S- 0 0 89 2,-0.2 -2,-0.1 1,-0.1 25,-0.1 -0.318 73.1-121.9 -70.7 160.5 33.6 31.5 42.0 176 194 A A S S+ 0 0 79 25,-0.1 27,-0.4 26,-0.1 28,-0.1 0.619 98.6 47.9 -79.2 -13.0 36.7 33.4 41.0 177 195 A D S S- 0 0 75 25,-0.1 3,-0.5 26,-0.1 -2,-0.2 -0.834 91.1-115.0-122.3 162.4 37.4 30.8 38.2 178 196 A P S > S+ 0 0 12 0, 0.0 4,-2.7 0, 0.0 3,-0.3 0.176 72.8 121.5 -85.4 21.6 35.0 29.4 35.6 179 197 A S H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.821 73.7 50.4 -54.8 -39.0 35.0 25.8 36.9 180 198 A D H > S+ 0 0 18 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.921 112.6 47.6 -65.3 -42.8 31.2 25.7 37.5 181 199 A I H > S+ 0 0 0 -3,-0.3 4,-3.0 2,-0.2 5,-0.2 0.921 112.0 49.9 -64.0 -42.4 30.5 27.0 34.0 182 200 A E H X S+ 0 0 73 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.929 110.6 49.3 -62.1 -44.3 33.0 24.5 32.5 183 201 A A H X S+ 0 0 36 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.923 114.1 46.6 -61.7 -42.4 31.4 21.6 34.3 184 202 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.945 109.1 52.2 -66.3 -46.7 28.0 22.6 33.2 185 203 A M H X S+ 0 0 23 -4,-3.0 4,-0.9 1,-0.2 5,-0.5 0.876 109.8 51.0 -59.7 -34.6 28.9 23.2 29.5 186 204 A K H < S+ 0 0 177 -4,-2.0 3,-0.4 -5,-0.2 -1,-0.2 0.921 115.3 40.5 -67.8 -42.8 30.4 19.7 29.4 187 205 A A H < S+ 0 0 38 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.763 106.2 67.2 -76.0 -25.0 27.3 18.1 30.9 188 206 A W H >< S- 0 0 0 -4,-2.5 3,-0.6 -5,-0.2 -1,-0.2 0.751 79.4-157.2 -69.2 -29.5 24.9 20.3 28.8 189 207 A N T 3< - 0 0 140 -4,-0.9 -3,-0.1 -3,-0.4 -4,-0.1 0.860 63.7 -69.3 50.7 38.5 25.9 18.8 25.4 190 208 A N T 3 S+ 0 0 125 -5,-0.5 -1,-0.2 1,-0.1 -5,-0.1 0.889 77.0 159.5 46.6 57.0 24.7 22.0 23.8 191 209 A Q < - 0 0 73 -3,-0.6 -1,-0.1 1,-0.2 -2,-0.1 0.446 69.8 -27.3 -83.2 -0.2 20.9 21.6 24.4 192 210 A G S S- 0 0 7 -23,-0.0 -1,-0.2 2,-0.0 -24,-0.1 -0.901 89.9 -48.1 166.4 168.7 20.5 25.4 23.9 193 211 A P - 0 0 14 0, 0.0 -24,-2.3 0, 0.0 2,-0.4 -0.313 48.6-154.0 -61.4 138.9 22.1 28.8 24.2 194 212 A V E -g 169 0A 2 19,-0.3 21,-2.3 -26,-0.2 22,-1.5 -0.974 6.4-164.8-120.9 130.4 24.0 29.6 27.4 195 213 A V E -gh 170 216A 0 -26,-2.9 -24,-1.6 -2,-0.4 2,-0.3 -0.864 9.4-166.9-111.1 143.1 24.5 33.1 28.7 196 214 A I E - h 0 217A 0 20,-2.3 22,-2.4 -2,-0.4 -24,-0.1 -0.911 22.5-150.2-133.2 161.2 26.9 33.9 31.5 197 215 A V - 0 0 9 -26,-0.4 3,-0.5 -2,-0.3 -24,-0.4 -0.886 15.5-173.7-129.4 93.4 27.8 36.8 33.8 198 216 A P + 0 0 4 0, 0.0 3,-0.3 0, 0.0 6,-0.2 0.166 41.3 125.4 -79.0 20.6 31.6 36.6 34.5 199 217 A T S > S+ 0 0 29 1,-0.2 3,-0.6 19,-0.2 -25,-0.1 0.844 80.3 35.2 -48.3 -46.6 31.7 39.4 37.1 200 218 A K T 3 S+ 0 0 115 -3,-0.5 -1,-0.2 -27,-0.4 3,-0.2 0.755 123.2 43.3 -82.5 -26.8 33.4 37.2 39.8 201 219 A Y T > S+ 0 0 1 -3,-0.3 3,-2.0 -28,-0.2 -1,-0.2 -0.150 74.4 138.2-110.0 41.2 35.6 35.2 37.5 202 220 A Y T < + 0 0 160 -3,-0.6 -1,-0.2 1,-0.3 4,-0.1 0.569 56.6 69.9 -64.2 -13.9 36.6 38.2 35.4 203 221 A K T 3 S+ 0 0 170 -27,-0.4 -1,-0.3 -3,-0.2 -26,-0.1 0.544 73.1 112.3 -83.1 -2.9 40.2 37.2 35.1 204 222 A T S < S- 0 0 16 -3,-2.0 2,-0.1 -6,-0.2 5,-0.1 -0.487 80.3-111.9 -67.7 130.8 39.2 34.3 32.8 205 223 A P >> - 0 0 93 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.444 21.4-132.4 -64.4 136.5 40.4 34.9 29.2 206 224 A T H >> S+ 0 0 44 1,-0.3 4,-1.3 2,-0.2 3,-1.1 0.806 102.6 67.4 -62.2 -30.4 37.4 35.5 27.0 207 225 A D H 3> S+ 0 0 105 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.775 90.2 66.3 -61.0 -24.0 38.6 33.1 24.4 208 226 A H H <> S+ 0 0 58 -3,-1.6 4,-1.8 1,-0.2 -1,-0.3 0.872 98.6 51.1 -64.8 -35.4 38.0 30.4 27.0 209 227 A F H S+ 0 0 3 -3,-1.1 5,-2.2 -4,-0.6 4,-0.7 0.880 108.3 52.4 -68.3 -34.4 34.2 31.1 26.8 210 228 A R H ><5S+ 0 0 115 -4,-1.3 3,-1.0 1,-0.2 -2,-0.2 0.927 107.9 50.6 -64.7 -43.1 34.5 30.8 23.0 211 229 A D H 3<5S+ 0 0 135 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.856 108.8 52.7 -62.9 -35.8 36.1 27.4 23.4 212 230 A M H 3<5S- 0 0 33 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.618 114.0-118.1 -74.7 -14.5 33.3 26.3 25.7 213 231 A G T <<5 + 0 0 47 -3,-1.0 -19,-0.3 -4,-0.7 -3,-0.2 0.708 49.7 170.7 83.9 20.4 30.7 27.3 23.2 214 232 A V < - 0 0 6 -5,-2.2 -1,-0.2 1,-0.1 -19,-0.1 -0.374 24.9-150.5 -62.9 141.7 29.1 29.9 25.4 215 233 A S + 0 0 10 -21,-2.3 -197,-2.3 1,-0.3 2,-0.3 0.902 66.3 5.8 -84.5 -43.0 26.5 32.0 23.5 216 234 A M E -ah 18 195A 0 -22,-1.5 -20,-2.3 -199,-0.2 2,-0.4 -1.000 53.9-149.5-149.2 143.3 26.6 35.4 25.2 217 235 A V E -ah 19 196A 0 -199,-2.7 -197,-2.0 -2,-0.3 2,-0.5 -0.918 14.2-152.7-110.2 135.7 28.5 37.3 27.9 218 236 A I E -a 20 0A 0 -22,-2.4 2,-1.1 -2,-0.4 -19,-0.2 -0.947 7.5-153.1-109.9 123.3 26.8 39.9 30.0 219 237 A W E -a 21 0A 72 -199,-2.4 -197,-1.9 -2,-0.5 -178,-0.2 -0.840 29.7-168.6 -93.0 100.3 28.9 42.8 31.4 220 238 A A - 0 0 10 -2,-1.1 -1,-0.2 1,-0.2 -197,-0.1 0.652 54.1 -5.6 -76.0 -26.5 26.5 43.2 34.3 221 239 A N S > S+ 0 0 53 -199,-0.1 4,-2.1 2,-0.0 -1,-0.2 0.258 84.3 114.8-157.2 20.0 27.0 46.4 36.4 222 240 A H H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.787 77.3 53.0 -76.1 -26.9 30.1 48.2 35.4 223 241 A N H > S+ 0 0 52 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.921 112.4 46.7 -71.3 -39.6 28.6 51.4 34.0 224 242 A L H > S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.939 114.6 47.0 -63.9 -46.3 26.7 51.8 37.3 225 243 A R H X S+ 0 0 130 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.876 113.6 48.0 -64.3 -36.9 29.8 51.1 39.4 226 244 A A H X S+ 0 0 55 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.904 111.2 50.7 -69.2 -42.1 31.9 53.5 37.3 227 245 A S H X S+ 0 0 45 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.928 110.5 48.7 -61.6 -46.8 29.3 56.3 37.5 228 246 A V H X S+ 0 0 61 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.936 111.6 50.0 -61.6 -44.0 29.1 55.9 41.3 229 247 A S H X S+ 0 0 53 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.928 112.9 46.6 -58.5 -46.9 32.9 56.0 41.6 230 248 A A H X S+ 0 0 49 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.906 114.2 46.3 -63.3 -44.7 33.1 59.1 39.4 231 249 A I H X S+ 0 0 99 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.928 114.3 48.3 -65.3 -44.2 30.3 60.9 41.3 232 250 A Q H X S+ 0 0 132 -4,-3.0 4,-2.1 -5,-0.3 -2,-0.2 0.942 116.0 43.3 -60.5 -46.6 31.8 60.0 44.6 233 251 A Q H X S+ 0 0 138 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.891 115.8 47.2 -66.4 -42.6 35.3 61.2 43.6 234 252 A T H X S+ 0 0 46 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.933 113.1 48.2 -66.1 -45.7 34.2 64.4 41.9 235 253 A T H X S+ 0 0 88 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.908 114.1 46.9 -62.5 -42.7 31.9 65.4 44.8 236 254 A K H X S+ 0 0 134 -4,-2.1 4,-2.7 -5,-0.3 5,-0.3 0.928 110.1 52.9 -66.2 -42.1 34.6 64.7 47.3 237 255 A Q H X S+ 0 0 66 -4,-2.4 4,-2.5 1,-0.2 6,-0.2 0.896 114.0 42.0 -59.8 -42.5 37.2 66.6 45.3 238 256 A I H X S+ 0 0 58 -4,-2.2 4,-2.5 2,-0.2 5,-0.4 0.868 112.5 53.9 -74.0 -37.2 35.0 69.7 45.1 239 257 A Y H < S+ 0 0 185 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.937 116.8 38.4 -60.8 -47.2 33.9 69.5 48.7 240 258 A D H < S+ 0 0 90 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.908 124.7 37.0 -71.8 -43.7 37.6 69.4 49.8 241 259 A D H < S- 0 0 59 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.761 84.7-146.7 -80.6 -26.5 39.0 71.9 47.3 242 260 A Q S < S+ 0 0 178 -4,-2.5 2,-0.3 1,-0.3 -3,-0.1 0.903 74.6 87.7 53.6 41.0 36.0 74.3 47.2 243 261 A S S S- 0 0 43 -5,-0.4 -1,-0.3 -6,-0.2 -2,-0.2 -0.972 75.3-140.3-160.9 158.8 37.2 74.7 43.6 244 262 A L S >> S+ 0 0 100 -2,-0.3 4,-2.3 1,-0.1 3,-2.2 0.419 76.0 101.8-103.4 -3.9 36.7 73.1 40.2 245 263 A V T 34 S+ 0 0 101 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.796 82.1 48.2 -55.3 -30.8 40.3 73.3 39.1 246 264 A N T 34 S+ 0 0 77 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.336 118.6 37.4 -93.9 8.3 41.0 69.6 39.9 247 265 A V T X4 S+ 0 0 7 -3,-2.2 3,-1.7 2,-0.1 4,-0.4 0.592 90.8 83.5-125.1 -25.1 38.0 68.2 38.1 248 266 A E G >< S+ 0 0 111 -4,-2.3 3,-0.5 1,-0.3 -3,-0.1 0.815 96.6 44.8 -51.3 -36.9 37.5 70.4 35.0 249 267 A D G 3 S+ 0 0 152 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.517 108.8 56.4 -87.7 -5.4 40.1 68.3 33.0 250 268 A K G < S+ 0 0 162 -3,-1.7 2,-0.3 2,-0.1 -1,-0.2 0.298 101.3 61.9-108.2 9.7 38.8 64.9 34.0 251 269 A I S < S- 0 0 81 -3,-0.5 -4,-0.0 -4,-0.4 0, 0.0 -0.874 90.4 -86.0-131.8 164.2 35.2 65.2 32.9 252 270 A V - 0 0 92 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.1 -0.264 48.4-100.5 -70.5 156.7 33.4 65.8 29.6 253 271 A S > - 0 0 67 1,-0.1 4,-1.3 -4,-0.1 3,-0.4 -0.284 26.2-116.0 -69.7 159.2 32.8 69.2 28.2 254 272 A V H > S+ 0 0 86 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.836 116.8 65.1 -66.4 -27.2 29.4 70.9 28.6 255 273 A K H > S+ 0 0 166 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 98.5 51.7 -59.9 -40.3 29.2 70.7 24.8 256 274 A E H > S+ 0 0 68 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.874 110.8 48.4 -63.9 -35.7 29.2 66.9 25.0 257 275 A I H < S+ 0 0 88 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.942 108.5 53.3 -68.0 -46.3 26.3 67.3 27.5 258 276 A F H < S+ 0 0 157 -4,-3.2 -2,-0.2 2,-0.2 -1,-0.2 0.892 108.6 50.8 -54.8 -39.7 24.5 69.7 25.1 259 277 A R H < 0 0 111 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.969 360.0 360.0 -61.7 -51.0 24.9 67.0 22.4 260 278 A L < 0 0 51 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.727 360.0 360.0 -64.7 360.0 23.4 64.4 24.8