==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/ELECTRON TRANSPORT 01-AUG-12 4GED . COMPND 2 MOLECULE: ASCORBATE PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR V.S.JASION,T.DOUKOV,S.H.PINEDA,H.LI,T.L.POULOS . 370 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 61.4 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 . 17 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 12 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 0 3 1 0 2 2 2 1 2 0 0 0 0 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 . 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 34 A S 0 0 118 0, 0.0 2,-0.3 0, 0.0 264,-0.2 0.000 360.0 360.0 360.0 154.2 -64.8 0.0 27.4 2 35 A E - 0 0 95 262,-2.8 261,-0.0 264,-0.0 0, 0.0 -0.999 360.0-119.4-134.0 136.5 -67.3 1.4 24.8 3 36 A E - 0 0 116 -2,-0.3 4,-0.1 262,-0.1 262,-0.1 -0.589 30.7-135.7 -76.1 126.4 -67.7 0.4 21.1 4 37 A P - 0 0 14 0, 0.0 4,-0.1 0, 0.0 81,-0.1 -0.303 23.3-108.1 -76.1 168.5 -67.2 3.4 18.8 5 38 A P S S+ 0 0 79 0, 0.0 2,-0.3 0, 0.0 79,-0.1 0.536 103.4 65.9 -74.0 -1.5 -69.4 4.1 15.7 6 39 A F S S- 0 0 9 78,-0.1 2,-1.5 77,-0.1 3,-0.1 -0.816 99.4-103.9-114.2 154.0 -66.5 3.1 13.4 7 40 A D > + 0 0 86 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 -0.652 41.2 179.8 -79.7 89.7 -64.9 -0.4 13.1 8 41 A I H > S+ 0 0 1 -2,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.774 74.9 56.8 -61.6 -33.8 -61.7 0.4 15.2 9 42 A R H > S+ 0 0 108 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.946 112.3 39.7 -66.9 -48.9 -60.3 -3.2 14.8 10 43 A A H > S+ 0 0 30 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.872 116.7 52.6 -66.8 -37.2 -60.4 -3.1 10.9 11 44 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.914 107.1 50.8 -63.2 -48.7 -59.2 0.6 11.1 12 45 A R H X S+ 0 0 34 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.857 112.3 48.0 -57.4 -39.1 -56.1 -0.3 13.3 13 46 A A H X S+ 0 0 39 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.867 109.9 51.5 -70.8 -38.6 -55.1 -3.1 10.9 14 47 A D H X S+ 0 0 35 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.817 108.2 52.0 -68.8 -30.6 -55.5 -0.8 7.8 15 48 A I H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.935 110.2 48.4 -70.0 -43.9 -53.2 1.9 9.5 16 49 A E H X S+ 0 0 29 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.878 112.1 50.2 -60.0 -40.3 -50.5 -0.8 10.1 17 50 A D H X S+ 0 0 101 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.910 109.7 49.5 -62.5 -46.7 -50.9 -2.0 6.5 18 51 A M H X S+ 0 0 54 -4,-2.1 4,-0.8 1,-0.2 3,-0.3 0.890 112.7 47.9 -60.1 -42.7 -50.5 1.6 5.2 19 52 A I H >< S+ 0 0 1 -4,-2.2 3,-0.6 1,-0.2 6,-0.3 0.864 106.0 57.9 -67.7 -38.1 -47.4 2.1 7.4 20 53 A S H 3< S+ 0 0 59 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.801 104.2 52.7 -62.2 -30.4 -45.9 -1.3 6.1 21 54 A E H 3< S+ 0 0 164 -4,-1.3 -1,-0.2 -3,-0.3 2,-0.2 0.755 130.5 14.9 -74.6 -27.6 -46.0 -0.0 2.5 22 55 A K X< - 0 0 123 -4,-0.8 3,-2.1 -3,-0.6 4,-0.4 -0.707 67.4-172.4-150.0 88.0 -44.1 3.2 3.5 23 56 A L T > S+ 0 0 20 -3,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.785 82.3 69.8 -56.7 -28.3 -42.4 2.9 6.9 24 57 A E T 3> S+ 0 0 78 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.616 86.0 69.9 -66.0 -14.6 -41.4 6.7 6.8 25 58 A L H <> S+ 0 0 12 -3,-2.1 4,-2.4 -6,-0.3 -1,-0.3 0.840 84.8 70.5 -70.8 -33.1 -45.1 7.5 7.3 26 59 A G H <> S+ 0 0 0 -3,-1.5 4,-1.5 -4,-0.4 3,-0.5 0.948 103.0 38.2 -48.5 -62.7 -45.0 6.2 10.9 27 60 A P H > S+ 0 0 15 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.875 114.0 57.1 -58.3 -39.0 -42.9 9.1 12.4 28 61 A S H X S+ 0 0 25 -4,-1.0 4,-2.4 1,-0.2 -2,-0.2 0.876 104.2 52.5 -59.0 -40.4 -44.8 11.6 10.2 29 62 A L H X S+ 0 0 3 -4,-2.4 4,-2.0 -3,-0.5 66,-0.3 0.874 109.1 50.1 -63.9 -37.7 -48.1 10.4 11.7 30 63 A I H X S+ 0 0 9 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.907 111.1 48.5 -66.1 -44.4 -46.7 11.0 15.2 31 64 A R H X S+ 0 0 69 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.894 108.9 54.7 -64.3 -40.1 -45.5 14.5 14.2 32 65 A L H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.932 111.4 42.9 -57.5 -52.1 -49.0 15.3 12.7 33 66 A A H X S+ 0 0 1 -4,-2.0 4,-1.0 58,-0.3 17,-0.2 0.871 114.1 52.3 -64.7 -36.3 -50.8 14.4 16.0 34 67 A W H >X S+ 0 0 43 -4,-2.1 4,-1.9 1,-0.2 3,-0.6 0.941 111.7 44.8 -65.7 -45.5 -48.2 16.3 18.1 35 68 A H H 3< S+ 0 0 15 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.789 106.8 59.2 -73.3 -25.0 -48.5 19.6 16.1 36 69 A E H 3< S+ 0 0 3 -4,-1.8 14,-0.7 -5,-0.2 15,-0.3 0.787 116.7 35.3 -70.3 -26.4 -52.3 19.4 16.1 37 70 A A H X< S+ 0 0 0 -4,-1.0 3,-1.5 -3,-0.6 -2,-0.2 0.695 102.7 74.2 -94.0 -27.2 -52.1 19.5 19.9 38 71 A A T 3< S+ 0 0 0 -4,-1.9 -2,-0.1 1,-0.3 -3,-0.1 0.542 78.2 76.1 -68.2 -10.2 -49.0 21.8 20.2 39 72 A S T 3 S+ 0 0 8 -4,-0.5 -1,-0.3 8,-0.1 -2,-0.1 0.673 75.4 111.5 -70.8 -20.6 -51.1 24.9 19.2 40 73 A Y < - 0 0 32 -3,-1.5 2,-0.3 7,-0.2 7,-0.2 -0.137 48.3-168.4 -56.9 149.0 -52.6 24.9 22.8 41 74 A D B >> -A 46 0A 11 5,-1.3 4,-1.5 104,-0.1 5,-1.0 -0.935 6.8-163.6-138.2 108.3 -51.9 27.6 25.4 42 75 A C T 45S+ 0 0 37 102,-3.1 103,-0.1 -2,-0.3 102,-0.1 0.690 90.9 49.5 -70.8 -18.6 -53.1 26.6 28.9 43 76 A F T 45S+ 0 0 126 101,-0.3 -1,-0.2 1,-0.1 102,-0.1 0.849 121.2 32.0 -85.3 -41.2 -52.9 30.3 30.2 44 77 A K T 45S- 0 0 144 100,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.521 99.9-138.3 -90.4 -12.0 -54.9 31.9 27.3 45 78 A K T <5 + 0 0 160 -4,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.919 63.7 100.3 52.4 55.8 -57.1 28.7 26.8 46 79 A D B < +A 41 0A 65 -5,-1.0 -5,-1.3 -7,-0.1 -1,-0.2 -0.834 17.9 93.9-150.6-176.0 -57.0 28.8 23.0 47 80 A G S S- 0 0 2 74,-0.4 76,-0.7 -2,-0.2 -7,-0.2 0.037 81.1-115.8 108.6 -23.1 -55.2 27.1 20.0 48 81 A S > - 0 0 25 74,-0.2 3,-0.6 1,-0.1 5,-0.5 0.952 41.1-161.6 56.8 61.3 -58.0 24.5 19.4 49 82 A P T 3 + 0 0 12 0, 0.0 -12,-0.3 0, 0.0 -1,-0.1 -0.378 63.9 12.5 -72.1 152.9 -55.8 21.4 20.2 50 83 A N T 3 S+ 0 0 5 -14,-0.7 -13,-0.1 -17,-0.2 64,-0.1 0.823 95.8 104.7 52.6 42.6 -56.9 17.9 19.1 51 84 A S S < S- 0 0 10 -3,-0.6 65,-2.9 -15,-0.3 37,-0.2 0.169 91.6-114.7-129.0 8.7 -59.7 19.2 16.8 52 85 A A > + 0 0 0 63,-0.2 3,-1.3 36,-0.2 4,-0.1 0.816 64.7 149.2 53.2 36.7 -57.9 18.6 13.4 53 86 A S G > + 0 0 0 -5,-0.5 3,-1.4 1,-0.2 7,-0.2 0.629 53.5 80.6 -73.5 -11.9 -57.9 22.5 12.9 54 87 A M G 3 S+ 0 0 0 1,-0.2 -1,-0.2 5,-0.1 -2,-0.1 0.558 72.5 78.9 -70.7 -10.0 -54.6 22.1 10.8 55 88 A R G < S+ 0 0 65 -3,-1.3 -1,-0.2 4,-0.1 2,-0.2 0.700 93.8 59.2 -68.5 -20.1 -56.8 21.1 7.8 56 89 A F S <> S- 0 0 50 -3,-1.4 4,-2.1 62,-0.1 5,-0.2 -0.725 91.4 -70.1-110.5 163.6 -57.6 24.8 7.2 57 90 A K T 4 S+ 0 0 152 -2,-0.2 65,-0.2 1,-0.2 62,-0.1 -0.542 105.3 25.8 -76.9 146.8 -55.8 28.1 6.6 58 91 A P T >4 S+ 0 0 63 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.986 123.9 47.8 -85.0 -20.0 -54.0 29.9 8.3 59 92 A E G >4 S+ 0 0 3 1,-0.3 3,-1.0 -6,-0.2 -2,-0.2 0.786 107.5 57.5 -52.2 -36.8 -52.7 27.0 10.6 60 93 A C G 3< S+ 0 0 31 -4,-2.1 -1,-0.3 -7,-0.2 -3,-0.2 0.787 106.9 49.9 -66.2 -28.3 -51.9 24.6 7.6 61 94 A L G < S+ 0 0 118 -3,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.459 80.0 122.6 -90.2 -3.8 -49.5 27.3 6.2 62 95 A Y S X S- 0 0 34 -3,-1.0 3,-1.3 -4,-0.4 4,-0.1 -0.333 71.2-122.2 -61.9 141.9 -47.5 27.9 9.5 63 96 A A G > S+ 0 0 70 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.867 110.9 57.2 -51.5 -45.5 -43.7 27.3 9.0 64 97 A G G 3 S+ 0 0 26 1,-0.3 -1,-0.3 64,-0.1 -29,-0.1 0.742 103.3 54.4 -58.8 -26.8 -43.7 24.7 11.8 65 98 A N G X S+ 0 0 3 -3,-1.3 3,-1.8 -6,-0.2 -1,-0.3 0.295 75.3 136.1 -94.9 12.5 -46.4 22.6 10.0 66 99 A K T < S+ 0 0 114 -3,-1.8 102,-0.1 102,-0.3 -5,-0.1 -0.332 73.9 18.3 -61.4 135.5 -44.4 22.4 6.6 67 100 A G T > S+ 0 0 6 100,-0.1 3,-1.6 1,-0.0 -1,-0.2 0.140 90.8 109.8 89.2 -15.8 -44.6 18.8 5.3 68 101 A L T <> + 0 0 0 -3,-1.8 4,-1.5 1,-0.3 -2,-0.1 0.577 58.9 78.8 -75.4 -3.3 -47.7 17.8 7.4 69 102 A D H 3> S+ 0 0 77 -4,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.784 85.3 65.2 -67.5 -26.4 -49.9 17.7 4.3 70 103 A I H <> S+ 0 0 84 -3,-1.6 4,-2.4 2,-0.2 5,-0.2 0.987 106.0 37.4 -62.8 -60.8 -48.3 14.2 3.5 71 104 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.861 116.6 55.9 -61.2 -30.4 -49.8 12.3 6.7 72 105 A R H X S+ 0 0 19 -4,-1.5 4,-0.9 2,-0.2 -2,-0.2 0.915 110.9 41.9 -65.4 -44.9 -53.0 14.4 6.3 73 106 A K H X S+ 0 0 110 -4,-2.5 4,-0.7 2,-0.2 3,-0.4 0.867 111.5 56.5 -70.9 -33.9 -53.6 13.2 2.6 74 107 A A H >< S+ 0 0 26 -4,-2.4 3,-0.6 1,-0.2 4,-0.5 0.919 110.6 44.3 -61.7 -42.2 -52.5 9.6 3.5 75 108 A L H 3X S+ 0 0 2 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.651 95.1 77.0 -77.3 -17.0 -55.3 9.5 6.2 76 109 A E H 3X S+ 0 0 58 -4,-0.9 4,-1.4 -3,-0.4 -1,-0.2 0.829 91.8 56.1 -61.6 -31.7 -58.0 11.1 3.9 77 110 A T H S+ 0 0 7 -4,-0.5 4,-2.2 -3,-0.2 -2,-0.2 0.844 105.7 59.6 -69.9 -33.7 -59.1 6.0 5.6 79 112 A K H < S+ 0 0 38 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.856 106.2 48.9 -61.3 -35.5 -61.6 8.8 6.4 80 113 A K H < S+ 0 0 160 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.900 113.4 45.2 -69.9 -42.1 -63.6 7.7 3.2 81 114 A K H < S+ 0 0 136 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.779 126.4 31.8 -71.0 -30.5 -63.5 4.0 4.2 82 115 A Y >< + 0 0 19 -4,-2.2 3,-0.8 -5,-0.1 -1,-0.3 -0.748 68.7 167.4-126.6 78.8 -64.5 4.9 7.9 83 116 A P T 3 + 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -77,-0.1 0.695 68.6 69.0 -69.7 -16.6 -66.8 8.0 7.7 84 117 A Q T 3 S+ 0 0 105 -79,-0.1 2,-0.2 2,-0.1 -78,-0.1 0.763 82.6 84.8 -74.9 -26.5 -68.0 7.7 11.4 85 118 A I S < S- 0 0 0 -3,-0.8 2,-0.1 -6,-0.1 -3,-0.1 -0.561 81.5-125.6 -76.7 138.7 -64.5 8.6 12.8 86 119 A S > - 0 0 21 -2,-0.2 4,-2.2 27,-0.2 5,-0.1 -0.458 20.2-117.5 -75.0 153.9 -63.7 12.3 13.2 87 120 A Y H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.854 116.1 55.3 -58.1 -36.9 -60.5 13.6 11.6 88 121 A A H > S+ 0 0 2 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.891 110.6 42.9 -64.4 -44.8 -59.2 14.6 15.1 89 122 A D H > S+ 0 0 5 24,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.876 112.5 54.7 -66.2 -42.0 -59.7 11.0 16.5 90 123 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.880 106.8 49.4 -61.1 -43.4 -58.2 9.5 13.3 91 124 A W H X S+ 0 0 4 -4,-2.1 4,-1.7 2,-0.2 -58,-0.3 0.915 114.4 45.5 -64.2 -41.9 -55.0 11.5 13.5 92 125 A V H X S+ 0 0 3 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.939 114.5 46.9 -67.4 -47.5 -54.5 10.5 17.2 93 126 A L H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.892 110.3 53.7 -61.3 -41.8 -55.3 6.8 16.6 94 127 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.886 109.8 47.9 -61.2 -36.9 -53.0 6.8 13.6 95 128 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 -66,-0.3 -2,-0.2 0.925 111.5 50.1 -68.4 -42.7 -50.1 8.2 15.8 96 129 A Y H X S+ 0 0 7 -4,-2.4 4,-2.0 1,-0.2 11,-0.3 0.873 111.1 48.8 -63.0 -39.8 -50.9 5.5 18.6 97 130 A V H X S+ 0 0 3 -4,-2.4 4,-3.2 2,-0.2 -1,-0.2 0.911 111.2 50.0 -66.1 -45.1 -50.8 2.7 16.0 98 131 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 6,-0.2 0.895 109.5 51.6 -61.0 -41.5 -47.4 4.0 14.5 99 132 A I H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 -1,-0.2 0.930 116.5 39.2 -61.0 -50.0 -45.9 4.1 18.1 100 133 A E H ><5S+ 0 0 68 -4,-2.0 3,-1.5 3,-0.2 -2,-0.2 0.885 113.5 55.6 -66.8 -42.3 -47.0 0.5 18.8 101 134 A Y H 3<5S+ 0 0 26 -4,-3.2 254,-0.4 1,-0.3 255,-0.2 0.867 106.0 51.4 -59.1 -38.4 -46.1 -0.7 15.2 102 135 A M T 3<5S- 0 0 4 -4,-2.1 80,-2.9 -5,-0.2 -1,-0.3 0.346 131.4 -90.9 -84.1 8.2 -42.5 0.6 15.6 103 136 A G T < 5S+ 0 0 10 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.432 87.7 124.7 98.6 3.2 -42.0 -1.2 18.9 104 137 A G < - 0 0 11 -5,-2.5 -1,-0.2 -6,-0.2 79,-0.1 0.023 66.5 -56.7 -80.3-169.6 -43.1 1.5 21.3 105 138 A P - 0 0 17 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 -0.285 44.4-115.3 -72.7 158.7 -45.9 1.4 24.0 106 139 A T - 0 0 101 -6,-0.1 -9,-0.1 -3,-0.1 -10,-0.0 -0.841 34.4-157.5 -88.2 106.8 -49.5 0.4 23.6 107 140 A I - 0 0 8 -2,-0.8 2,-0.2 -11,-0.3 -7,-0.1 -0.813 20.9-117.6 -90.7 122.6 -51.3 3.7 24.5 108 141 A P - 0 0 88 0, 0.0 2,-0.5 0, 0.0 159,-0.1 -0.423 33.3-134.2 -60.8 125.4 -55.0 3.2 25.5 109 142 A F - 0 0 4 -2,-0.2 156,-2.5 157,-0.2 2,-0.4 -0.742 17.9-165.2 -90.9 125.9 -57.2 5.0 22.9 110 143 A C E -B 264 0B 16 -2,-0.5 2,-0.3 154,-0.2 154,-0.2 -0.912 12.9-156.2-106.4 132.9 -60.1 7.3 24.0 111 144 A W E +B 263 0B 41 152,-2.9 152,-3.5 -2,-0.4 -26,-0.0 -0.735 53.6 80.0-110.4 157.8 -62.6 8.4 21.3 112 145 A G + 0 0 26 -2,-0.3 -1,-0.1 1,-0.2 148,-0.1 0.406 44.3 153.6 128.7 2.1 -65.0 11.3 20.9 113 146 A R - 0 0 8 -3,-0.2 2,-0.4 -27,-0.1 -24,-0.4 -0.387 38.1-136.0 -61.4 135.1 -62.9 14.3 19.7 114 147 A V - 0 0 121 -64,-0.1 2,-0.1 -26,-0.1 -1,-0.1 -0.803 18.4-123.7 -95.5 134.2 -65.0 16.9 17.8 115 148 A D - 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0 0 36 -2,-2.2 4,-2.7 -24,-0.2 3,-0.3 -0.423 59.3-101.6 -78.3 162.8 -31.1 -20.6 13.7 330 72 B P H > S+ 0 0 35 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.869 124.0 49.5 -56.4 -34.8 -34.5 -19.3 12.3 331 73 B E H > S+ 0 0 137 2,-0.2 4,-1.1 1,-0.2 -3,-0.1 0.860 113.1 45.5 -72.3 -37.2 -36.3 -20.0 15.6 332 74 B V H > S+ 0 0 40 -3,-0.3 4,-2.2 2,-0.2 3,-0.2 0.889 110.3 54.0 -71.7 -40.5 -33.5 -18.2 17.7 333 75 B L H X S+ 0 0 10 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.867 103.4 59.3 -60.3 -35.6 -33.5 -15.2 15.3 334 76 B D H X S+ 0 0 55 -4,-1.5 4,-0.7 -5,-0.2 -1,-0.2 0.895 109.4 41.1 -59.4 -44.7 -37.3 -15.0 15.9 335 77 B V H >X S+ 0 0 73 -4,-1.1 4,-1.2 -3,-0.2 3,-0.6 0.921 116.5 49.5 -70.5 -45.4 -36.9 -14.5 19.7 336 78 B Y H >< S+ 0 0 15 -4,-2.2 3,-0.6 1,-0.2 7,-0.2 0.928 108.2 51.4 -59.6 -50.8 -33.9 -12.1 19.3 337 79 B L H 3< S+ 0 0 17 -4,-2.7 17,-2.6 1,-0.2 -1,-0.2 0.671 104.0 59.9 -64.9 -18.8 -35.5 -9.8 16.7 338 80 B E H << S- 0 0 78 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.864 134.3 -7.8 -75.2 -38.1 -38.7 -9.4 19.0 339 81 B N S+ 0 0 1 0, 0.0 4,-2.8 0, 0.0 7,-0.2 0.889 85.1 48.5 -59.0 -44.7 -32.7 -7.9 21.4 341 83 B K H 4 S+ 0 0 90 10,-0.3 6,-0.1 2,-0.2 5,-0.1 0.763 112.9 49.0 -70.5 -26.1 -31.8 -6.4 24.8 342 84 B K H 4 S+ 0 0 169 -3,-0.3 -1,-0.2 -6,-0.2 -6,-0.1 0.909 116.8 41.1 -76.0 -45.0 -34.1 -8.9 26.7 343 85 B F H < S+ 0 0 67 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.1 0.903 132.0 23.4 -69.1 -45.3 -32.8 -12.0 24.8 344 86 B M S >< S- 0 0 10 -4,-2.8 3,-1.8 -5,-0.2 -1,-0.3 -0.777 82.3-155.7-125.0 84.8 -29.1 -10.9 24.9 345 87 B P T 3 S+ 0 0 97 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.394 80.6 31.1 -63.5 135.2 -28.5 -8.4 27.9 346 88 B G T 3 S+ 0 0 62 1,-0.3 -26,-0.4 -5,-0.1 -27,-0.2 0.262 84.3 145.1 99.6 -8.2 -25.4 -6.2 27.3 347 89 B T < - 0 0 8 -3,-1.8 -1,-0.3 -7,-0.2 -6,-0.0 -0.281 45.9-148.7 -59.8 147.7 -25.8 -6.2 23.4 348 90 B K + 0 0 112 2,-0.1 2,-0.8 -7,-0.0 -1,-0.1 0.299 62.1 118.3-101.0 9.5 -24.9 -2.9 21.6 349 91 B M - 0 0 41 1,-0.1 2,-1.4 2,-0.1 -8,-0.1 -0.683 54.5-157.1 -76.5 108.7 -27.5 -3.6 18.8 350 92 B S + 0 0 54 -2,-0.8 2,-0.4 -10,-0.1 -1,-0.1 -0.603 39.3 140.7 -89.4 73.5 -29.8 -0.5 19.3 351 93 B F - 0 0 23 -2,-1.4 -10,-0.3 1,-0.1 3,-0.1 -0.980 49.4-150.0-124.5 127.4 -33.0 -2.0 17.7 352 94 B A - 0 0 11 -2,-0.4 -1,-0.1 1,-0.2 2,-0.1 0.713 50.9-124.3 -65.2 -26.9 -36.5 -1.5 19.0 353 95 B G - 0 0 0 -14,-0.1 2,-0.7 1,-0.1 -15,-0.3 -0.071 12.7 -86.6 101.4 161.3 -37.6 -5.0 17.7 354 96 B I - 0 0 16 -17,-2.6 6,-0.1 1,-0.1 -252,-0.1 -0.925 37.4-174.6-108.1 103.3 -40.2 -6.4 15.3 355 97 B K + 0 0 77 -2,-0.7 -1,-0.1 -254,-0.4 -17,-0.1 0.780 61.1 75.8 -72.1 -31.7 -43.3 -7.0 17.5 356 98 B K S > S- 0 0 75 -255,-0.2 4,-1.6 1,-0.1 3,-0.4 -0.712 72.5-142.9 -87.2 131.9 -45.5 -8.8 14.8 357 99 B P H > S+ 0 0 86 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.843 98.0 58.9 -59.0 -39.5 -44.6 -12.5 13.9 358 100 B Q H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 -87,-0.3 0.889 107.8 45.4 -58.3 -43.0 -45.4 -12.1 10.2 359 101 B E H > S+ 0 0 27 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.870 113.1 50.4 -69.8 -37.6 -42.8 -9.3 9.8 360 102 B R H X S+ 0 0 11 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.962 111.7 48.0 -62.7 -48.9 -40.1 -11.3 11.8 361 103 B A H X S+ 0 0 35 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.885 112.1 50.0 -57.3 -43.4 -40.8 -14.4 9.6 362 104 B D H X S+ 0 0 3 -4,-2.1 4,-1.8 2,-0.2 -87,-0.3 0.946 112.5 46.1 -61.9 -48.8 -40.5 -12.2 6.4 363 105 B V H X S+ 0 0 11 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.908 113.2 50.2 -60.8 -43.9 -37.2 -10.7 7.6 364 106 B I H X S+ 0 0 9 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.876 107.2 54.2 -63.7 -38.8 -35.8 -14.2 8.6 365 107 B A H X S+ 0 0 6 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.891 108.4 50.0 -62.4 -37.9 -36.9 -15.6 5.1 366 108 B Y H >< S+ 0 0 27 -4,-1.8 3,-1.1 -95,-0.2 4,-0.4 0.907 108.1 52.0 -66.5 -42.2 -34.8 -12.8 3.5 367 109 B L H >< S+ 0 0 10 -4,-2.0 3,-1.2 1,-0.2 -62,-0.4 0.829 102.8 61.1 -62.2 -32.1 -31.7 -13.6 5.7 368 110 B E H 3< S+ 0 0 101 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.694 97.2 58.6 -67.3 -22.9 -32.0 -17.3 4.6 369 111 B T T << S+ 0 0 76 -3,-1.1 2,-2.0 -4,-0.6 -1,-0.2 0.565 77.9 93.9 -82.2 -10.5 -31.5 -16.3 0.9 370 112 B L < 0 0 15 -3,-1.2 -67,-1.5 -4,-0.4 -65,-0.2 -0.428 360.0 360.0 -82.5 63.8 -28.0 -14.8 1.7 371 113 B K 0 0 185 -2,-2.0 -1,-0.2 -69,-0.1 -69,-0.0 -0.179 360.0 360.0 39.1 360.0 -26.2 -18.1 0.8