==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT/OXIDOREDUCTASE 09-APR-12 3VRD . COMPND 2 MOLECULE: FLAVOCYTOCHROME C HEME SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCHROMATIUM TEPIDUM; . AUTHOR Y.HIRANO,Y.KIMURA,H.SUZUKI,K.MIKI,Z.-Y.WANG . 574 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23455.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 389 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 31 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 1 4 1 0 0 0 0 2 2 3 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 3 0 2 4 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 . 2 2 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 3 0 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 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 E 0 0 175 0, 0.0 503,-0.5 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 144.9 15.8 89.9 26.9 2 2 A P - 0 0 14 0, 0.0 504,-0.0 0, 0.0 0, 0.0 -0.363 360.0-120.5 -66.3 146.5 18.1 87.1 27.9 3 3 A T > - 0 0 68 501,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.210 29.8-102.4 -74.0 161.9 18.8 86.5 31.6 4 4 A A H > S+ 0 0 16 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.857 124.7 47.1 -50.0 -40.7 22.3 86.7 33.0 5 5 A E H > S+ 0 0 103 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.886 108.5 53.8 -75.2 -36.9 22.6 82.9 33.1 6 6 A M H 4 S+ 0 0 22 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.905 116.6 41.3 -60.4 -37.1 21.2 82.5 29.5 7 7 A L H >< S+ 0 0 2 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.974 121.0 40.0 -73.9 -51.0 24.0 85.0 28.4 8 8 A A H >< S+ 0 0 2 -4,-3.0 3,-2.1 1,-0.3 4,-0.4 0.721 97.0 72.9 -80.6 -19.7 26.8 83.6 30.5 9 9 A N G >< S+ 0 0 32 -4,-2.7 3,-1.0 1,-0.3 -1,-0.3 0.815 90.1 63.3 -70.5 -16.5 26.3 79.9 30.3 10 10 A N G X S+ 0 0 3 -3,-0.9 3,-0.5 -4,-0.4 -1,-0.3 0.623 92.3 65.6 -75.2 -9.9 27.6 80.0 26.7 11 11 A C G X> S+ 0 0 24 -3,-2.1 4,-2.4 1,-0.2 3,-1.2 0.661 79.6 81.2 -84.6 -12.6 31.0 81.2 27.9 12 12 A A H <> S+ 0 0 5 -3,-1.0 4,-2.1 -4,-0.4 -1,-0.2 0.748 75.1 71.5 -66.9 -28.1 31.7 77.9 29.7 13 13 A G H <4 S+ 0 0 0 -3,-0.5 556,-0.6 -4,-0.2 -1,-0.3 0.881 118.1 20.5 -58.6 -37.4 32.8 76.0 26.6 14 14 A C H <4 S+ 0 0 19 -3,-1.2 -2,-0.2 -4,-0.2 -1,-0.2 0.719 137.1 33.5 -99.1 -27.3 36.0 78.2 26.6 15 15 A H H < S- 0 0 24 -4,-2.4 14,-0.3 1,-0.2 -3,-0.2 0.418 107.5-113.3-109.9 -2.1 36.2 79.4 30.3 16 16 A G >< - 0 0 1 -4,-2.1 3,-2.6 -5,-0.3 5,-0.2 0.151 51.1 -44.0 92.5 154.8 34.7 76.4 32.2 17 17 A T G > S+ 0 0 28 551,-0.3 3,-1.8 1,-0.3 -8,-0.1 -0.377 131.8 3.7 -54.9 136.2 31.5 76.1 34.2 18 18 A R G 3 S- 0 0 140 1,-0.3 -1,-0.3 -10,-0.1 3,-0.1 0.638 131.1 -67.8 60.7 11.2 31.0 79.2 36.4 19 19 A G G < S+ 0 0 1 -3,-2.6 10,-2.0 1,-0.2 11,-1.9 0.565 100.7 129.6 90.8 7.0 34.1 80.7 34.9 20 20 A N < - 0 0 29 -3,-1.8 2,-0.3 8,-0.2 -1,-0.2 -0.855 48.6-150.3 -99.0 108.1 36.6 78.2 36.4 21 21 A S - 0 0 7 -2,-0.8 7,-0.2 -5,-0.2 -5,-0.1 -0.623 18.9-148.5 -90.7 141.7 38.7 77.0 33.5 22 22 A A + 0 0 48 -2,-0.3 -1,-0.1 542,-0.3 -7,-0.1 0.426 55.4 175.6 -83.4 0.6 40.3 73.6 33.2 23 23 A G + 0 0 0 3,-0.3 544,-0.3 1,-0.1 -1,-0.2 -0.085 68.2 176.6 72.6-176.2 43.2 75.2 31.2 24 24 A P S S- 0 0 40 0, 0.0 104,-0.3 0, 0.0 -1,-0.1 -0.965 102.5 -23.9 -87.3 -11.3 45.8 74.9 29.9 25 25 A A S S+ 0 0 0 535,-0.4 536,-0.1 102,-0.2 106,-0.1 0.655 96.5 103.1-136.1 -34.8 45.5 78.5 28.8 26 26 A S S S- 0 0 7 534,-0.3 -3,-0.3 1,-0.1 99,-0.1 -0.425 77.6-110.3 -65.3 135.8 42.0 80.0 28.6 27 27 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.340 16.0-118.4 -73.7 147.7 41.7 82.2 31.7 28 28 A S - 0 0 3 -7,-0.2 -8,-0.2 1,-0.1 -12,-0.1 -0.639 28.8-179.9 -67.6 138.1 39.5 81.6 34.7 29 29 A I > + 0 0 19 -10,-2.0 3,-1.4 -2,-0.3 -9,-0.2 0.328 32.9 129.2-123.5 -1.4 37.0 84.5 34.9 30 30 A A T 3 S+ 0 0 0 -11,-1.9 44,-0.2 1,-0.2 -11,-0.1 -0.425 78.2 8.8 -54.1 136.2 35.1 83.5 38.0 31 31 A Q T 3 S+ 0 0 45 42,-3.0 -1,-0.2 1,-0.2 43,-0.2 0.650 86.0 161.8 72.9 18.3 34.9 86.2 40.7 32 32 A M < - 0 0 36 -3,-1.4 -1,-0.2 1,-0.1 44,-0.1 -0.372 51.8 -96.2 -66.3 151.4 36.3 88.9 38.5 33 33 A D > - 0 0 5 85,-0.5 4,-2.7 1,-0.1 5,-0.2 -0.510 32.6-132.3 -62.4 133.1 35.6 92.5 39.6 34 34 A P H > S+ 0 0 46 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.814 104.6 49.1 -66.6 -32.7 32.5 93.6 37.7 35 35 A A H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.889 113.5 48.1 -70.5 -39.1 34.0 97.0 36.7 36 36 A V H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.907 113.0 49.3 -55.3 -52.1 37.1 95.2 35.5 37 37 A F H X S+ 0 0 8 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.914 111.7 45.8 -58.2 -49.6 35.0 92.6 33.6 38 38 A V H X S+ 0 0 25 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.935 113.9 50.1 -63.9 -43.9 32.8 95.2 31.8 39 39 A E H X S+ 0 0 100 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.907 110.5 48.0 -62.8 -40.6 35.8 97.3 30.9 40 40 A V H X S+ 0 0 25 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.949 111.6 50.5 -68.2 -37.9 37.8 94.4 29.4 41 41 A M H X S+ 0 0 15 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.902 110.8 49.8 -60.9 -47.4 34.7 93.2 27.4 42 42 A E H X S+ 0 0 51 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.879 110.9 49.5 -61.2 -33.4 34.2 96.7 26.0 43 43 A Q H X>S+ 0 0 26 -4,-2.2 6,-1.9 2,-0.2 4,-0.8 0.826 109.6 49.7 -78.8 -25.3 37.9 96.9 25.0 44 44 A F H <5S+ 0 0 34 -4,-2.5 3,-0.3 4,-0.2 -1,-0.2 0.936 112.7 50.2 -69.5 -41.2 37.9 93.6 23.3 45 45 A K H <5S+ 0 0 62 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.894 112.6 43.8 -64.7 -40.5 34.7 94.7 21.5 46 46 A S H <5S- 0 0 80 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.660 112.6-116.7 -82.1 -10.9 36.1 98.0 20.3 47 47 A G T <5S+ 0 0 46 -4,-0.8 -3,-0.2 -3,-0.3 -4,-0.1 0.451 80.8 124.6 85.8 3.1 39.5 96.4 19.3 48 48 A E S S+ 0 0 16 -3,-0.1 4,-1.7 493,-0.1 3,-0.3 0.502 112.5 90.9-149.7 -17.5 38.9 85.6 19.4 54 54 A M H > S+ 0 0 36 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.780 88.5 55.5 -65.3 -28.0 37.4 87.7 22.2 55 55 A G H > S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.931 108.1 49.2 -63.7 -41.3 36.8 90.7 19.9 56 56 A R H 4 S+ 0 0 28 -3,-0.3 487,-2.9 1,-0.2 4,-0.3 0.840 118.5 40.8 -60.0 -36.3 34.8 88.4 17.6 57 57 A I H >< S+ 0 0 21 -4,-1.7 3,-1.8 2,-0.2 -2,-0.2 0.916 112.8 49.5 -78.6 -52.9 32.8 87.2 20.7 58 58 A A H >< S+ 0 0 0 -4,-3.1 3,-2.0 1,-0.3 -2,-0.2 0.818 99.0 68.7 -61.2 -31.7 32.3 90.4 22.6 59 59 A K T 3< S+ 0 0 72 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.785 90.2 66.1 -54.5 -19.7 31.1 92.2 19.4 60 60 A G T < S+ 0 0 7 -3,-1.8 2,-0.3 -4,-0.3 -1,-0.3 0.482 99.3 63.0 -79.6 -2.2 28.0 89.9 19.7 61 61 A Y S < S- 0 0 10 -3,-2.0 2,-0.2 -4,-0.1 465,-0.0 -0.832 71.3-128.7-130.2 157.1 26.9 91.6 23.0 62 62 A S > - 0 0 47 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.551 34.9-103.6 -91.6 171.7 25.7 94.9 24.3 63 63 A T H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.913 123.9 52.2 -55.2 -44.6 26.8 96.9 27.3 64 64 A A H > S+ 0 0 61 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 107.5 52.0 -64.3 -36.8 23.8 95.8 29.3 65 65 A D H > S+ 0 0 26 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.934 109.4 50.4 -65.0 -39.4 24.6 92.1 28.4 66 66 A F H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.895 109.7 50.5 -63.8 -38.8 28.2 92.7 29.8 67 67 A Q H X S+ 0 0 112 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.918 111.8 47.4 -70.9 -34.7 26.8 94.2 33.0 68 68 A K H X S+ 0 0 83 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.914 114.1 47.3 -64.0 -47.3 24.5 91.2 33.5 69 69 A M H X S+ 0 0 3 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.907 106.8 57.4 -63.8 -35.6 27.4 88.8 32.8 70 70 A A H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.913 106.2 50.4 -60.7 -41.2 29.6 90.7 35.2 71 71 A E H X S+ 0 0 139 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.904 110.0 50.7 -60.3 -41.6 27.1 90.2 38.0 72 72 A Y H X S+ 0 0 21 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.949 114.1 42.2 -62.4 -46.8 27.0 86.5 37.2 73 73 A F H >< S+ 0 0 4 -4,-2.8 -42,-3.0 1,-0.2 3,-1.3 0.898 108.4 58.0 -71.9 -35.1 30.7 86.0 37.3 74 74 A K H 3< S+ 0 0 69 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.845 102.9 57.6 -59.4 -36.5 31.3 88.2 40.3 75 75 A Q H 3< S+ 0 0 139 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.638 91.5 90.7 -73.4 -10.9 28.9 85.8 42.2 76 76 A Q S << S- 0 0 16 -3,-1.3 2,-0.7 -4,-0.5 -57,-0.0 -0.392 81.6-116.1 -81.9 161.9 31.0 82.8 41.5 77 77 A T - 0 0 101 -2,-0.1 2,-0.2 -47,-0.0 -47,-0.1 -0.845 26.2-133.3-100.1 115.3 33.8 81.6 43.7 78 78 A Y - 0 0 19 -2,-0.7 -58,-0.1 33,-0.1 -47,-0.1 -0.514 17.0-158.1 -66.1 133.4 37.3 81.8 42.0 79 79 A Q - 0 0 125 -2,-0.2 3,-0.1 44,-0.1 -49,-0.1 -0.972 18.9-125.6-112.5 114.3 39.3 78.5 42.5 80 80 A P - 0 0 54 0, 0.0 44,-0.2 0, 0.0 43,-0.1 -0.323 41.9-109.5 -51.9 135.0 43.2 78.8 42.1 81 81 A V - 0 0 9 42,-2.7 2,-1.0 1,-0.1 42,-0.1 -0.407 13.1-122.7 -80.1 150.2 44.1 76.3 39.5 82 82 A K + 0 0 169 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.753 58.6 137.5 -83.4 102.8 46.0 73.1 40.1 83 83 A Q - 0 0 26 -2,-1.0 2,-0.1 88,-0.3 40,-0.0 -0.982 54.8 -96.5-142.4 158.8 48.9 73.5 37.8 84 84 A S + 0 0 114 -2,-0.3 2,-0.3 2,-0.0 42,-0.2 -0.344 40.6 176.5 -65.8 157.5 52.6 72.8 37.9 85 85 A F - 0 0 58 -2,-0.1 2,-1.1 87,-0.1 3,-0.1 -0.966 41.3 -95.9-158.9 164.0 55.2 75.5 38.8 86 86 A D >> - 0 0 86 -2,-0.3 3,-1.8 78,-0.2 4,-0.6 -0.684 33.4-169.3 -89.4 99.5 58.9 75.8 39.4 87 87 A K G >4 S+ 0 0 154 -2,-1.1 3,-1.0 1,-0.3 4,-0.4 0.835 80.9 65.5 -64.7 -33.6 59.1 75.5 43.1 88 88 A A G 34 S+ 0 0 91 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.710 103.5 48.9 -54.8 -24.5 62.9 76.5 43.1 89 89 A L G <> S+ 0 0 44 -3,-1.8 4,-2.4 1,-0.1 -1,-0.2 0.537 83.9 93.8 -99.5 -4.8 61.8 79.9 41.8 90 90 A V H S+ 0 0 66 -4,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.935 112.7 50.4 -75.5 -34.2 61.0 82.6 46.9 92 92 A K H > S+ 0 0 82 -4,-0.3 4,-2.9 1,-0.2 -2,-0.2 0.923 111.9 49.7 -60.6 -44.4 62.7 84.8 44.3 93 93 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.851 105.1 55.5 -67.9 -31.7 59.2 85.5 42.8 94 94 A T H X S+ 0 0 42 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.930 109.9 47.1 -61.2 -44.0 57.7 86.4 46.0 95 95 A K H X S+ 0 0 153 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.939 112.4 49.9 -68.0 -39.6 60.5 89.0 46.5 96 96 A L H X S+ 0 0 9 -4,-2.9 4,-2.1 2,-0.2 5,-0.5 0.901 111.2 47.5 -62.5 -43.2 60.0 90.3 42.9 97 97 A H H X>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-2.3 0.953 111.7 52.0 -61.6 -44.3 56.2 90.6 43.3 98 98 A D H <5S+ 0 0 92 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.886 115.7 41.0 -59.0 -35.5 56.7 92.4 46.6 99 99 A K H <5S+ 0 0 145 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.791 130.9 18.1 -82.1 -32.6 59.1 94.9 45.0 100 100 A Y H <5S+ 0 0 21 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.654 131.0 21.0-117.6 -25.2 57.4 95.6 41.7 101 101 A C T >X5S+ 0 0 27 -4,-2.3 4,-2.9 -5,-0.5 3,-1.7 0.758 90.7 84.2-126.4 -26.6 53.7 94.6 41.7 102 102 A E T 34< S- 0 0 28 -4,-2.9 3,-1.8 -8,-0.1 -1,-0.2 -0.713 83.6-161.4 -93.2 78.4 48.1 93.6 42.7 106 106 A V G >> S- 0 0 38 -2,-1.4 3,-1.5 1,-0.3 4,-0.6 -0.392 73.7 -2.6 -72.7 129.4 47.4 93.4 46.5 107 107 A E G >4 S- 0 0 102 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.904 138.7 -54.6 51.1 39.0 48.0 89.8 47.7 108 108 A S G <4 S- 0 0 2 -3,-1.8 13,-2.4 1,-0.3 14,-2.3 0.731 97.7 -64.1 70.7 21.9 48.6 89.0 44.1 109 109 A G G <4 S+ 0 0 0 -3,-1.5 -1,-0.3 11,-0.2 -2,-0.2 0.555 81.5 169.9 79.5 18.4 45.3 90.4 42.9 110 110 A K << - 0 0 76 -3,-1.1 2,-2.1 -4,-0.6 -1,-0.2 -0.176 50.3 -99.8 -63.4 152.7 43.1 87.9 44.9 111 111 A P - 0 0 25 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.395 56.3-179.9 -75.3 73.4 39.4 88.8 44.9 112 112 A L > - 0 0 41 -2,-2.1 3,-2.3 -6,-0.2 6,-0.1 -0.507 36.3-126.1 -86.6 141.7 39.4 90.3 48.4 113 113 A A T 3 S+ 0 0 115 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 0.810 110.1 44.2 -55.7 -37.4 36.3 91.7 50.0 114 114 A D T 3 S+ 0 0 129 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.203 97.0 87.2-100.3 18.2 38.0 95.0 50.7 115 115 A Q < - 0 0 60 -3,-2.3 2,-0.4 -5,-0.0 3,-0.2 -0.949 59.5-159.4-106.9 135.2 39.7 95.5 47.3 116 116 A D S S+ 0 0 139 -2,-0.4 -2,-0.0 1,-0.2 -3,-0.0 -0.936 72.3 10.0-106.3 144.7 38.0 97.1 44.4 117 117 A E S S+ 0 0 112 -2,-0.4 -1,-0.2 1,-0.2 2,-0.1 0.828 80.5 171.2 57.3 44.4 39.2 96.6 40.9 118 118 A Y - 0 0 18 -3,-0.2 -85,-0.5 -6,-0.1 2,-0.4 -0.343 27.2-145.3 -75.5 156.9 41.6 93.9 41.5 119 119 A H - 0 0 87 -15,-0.1 2,-0.4 -87,-0.1 -9,-0.1 -0.986 25.9-126.3-130.6 108.3 43.2 91.9 38.6 120 120 A I + 0 0 20 -2,-0.4 -11,-0.2 1,-0.2 -10,-0.1 -0.457 47.0 149.1 -75.6 117.4 43.7 88.3 39.6 121 121 A L > + 0 0 27 -13,-2.4 3,-1.8 -2,-0.4 -12,-0.2 0.753 47.7 88.5-105.7 -48.0 47.2 86.9 39.2 122 122 A A T 3 S+ 0 0 3 -14,-2.3 49,-0.2 1,-0.2 48,-0.1 -0.404 106.5 1.8 -47.5 127.5 47.5 84.3 42.0 123 123 A G T 3 S+ 0 0 0 47,-2.6 -42,-2.7 1,-0.2 -1,-0.2 0.395 95.7 133.8 69.4 7.7 46.3 80.8 40.8 124 124 A Q S < S- 0 0 10 -3,-1.8 -1,-0.2 -44,-0.2 5,-0.0 -0.491 72.9 -79.7 -80.1 150.3 45.5 82.0 37.3 125 125 A W > - 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0 0 9 24,-2.8 25,-0.2 -2,-0.7 24,-0.1 0.261 60.2-148.1 112.9 124.2 21.1 60.3 23.5 184 10 B G + 0 0 0 4,-0.2 24,-0.1 22,-0.1 -1,-0.1 -0.117 61.8 106.9-114.1 34.3 23.9 60.9 25.9 185 11 B G S > S- 0 0 11 92,-0.5 4,-2.6 28,-0.0 5,-0.5 0.034 95.7 -55.7 -86.4-149.2 26.4 62.7 23.6 186 12 B T H > S+ 0 0 11 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.925 136.9 39.1 -67.2 -42.0 27.2 66.4 23.7 187 13 B G H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.967 120.0 42.4 -68.6 -52.1 23.5 67.6 23.3 188 14 B G H > S+ 0 0 0 89,-0.4 4,-2.8 2,-0.2 5,-0.2 0.914 115.5 47.8 -66.0 -40.6 21.7 65.1 25.5 189 15 B A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.953 114.0 48.6 -66.6 -43.4 24.3 65.1 28.4 190 16 B T H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.5 5,-0.2 0.931 113.8 46.0 -56.4 -46.1 24.3 68.9 28.4 191 17 B A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.919 113.2 48.5 -69.1 -41.9 20.5 69.1 28.4 192 18 B A H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.938 114.6 46.6 -62.5 -44.4 20.1 66.4 31.1 193 19 B K H X S+ 0 0 7 -4,-2.8 4,-2.7 380,-0.3 -2,-0.2 0.920 114.5 44.8 -58.7 -47.4 22.7 68.2 33.3 194 20 B Y H X S+ 0 0 31 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.761 114.1 49.9 -78.7 -23.3 21.3 71.7 32.9 195 21 B I H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 7,-0.2 0.950 113.6 45.1 -70.9 -48.1 17.6 70.5 33.4 196 22 B K H < S+ 0 0 29 -4,-2.4 -2,-0.2 -5,-0.3 6,-0.2 0.929 114.1 48.4 -65.8 -39.6 18.5 68.6 36.6 197 23 B L H < S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.865 110.5 51.4 -73.0 -29.6 20.6 71.4 38.1 198 24 B A H < S+ 0 0 60 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.812 132.7 9.5 -72.4 -37.0 18.0 74.1 37.4 199 25 B D >< - 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