==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSFER 21-AUG-02 1H33 . COMPND 2 MOLECULE: DIHEME CYTOCHROME C; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOVULUM SULFIDOPHILUM; . AUTHOR V.A.BAMFORD,S.BRUNO,T.RASMUSSEN,C.APPIA-AYME,M.R.CHEESMAN, . 395 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18528.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.3 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 . 1 0.3 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 . 1 0.3 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 . 18 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 4 2 1 0 0 2 1 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G > 0 0 16 0, 0.0 3,-1.4 0, 0.0 37,-0.1 0.000 360.0 360.0 360.0 161.0 29.9 30.7 29.8 2 2 A P T 3 + 0 0 66 0, 0.0 34,-0.1 0, 0.0 35,-0.0 0.770 360.0 39.5 -63.5 -30.0 30.0 27.6 27.6 3 3 A D T 3 S+ 0 0 111 2,-0.1 14,-0.1 14,-0.0 33,-0.0 0.216 89.3 114.0-105.0 12.6 33.6 26.8 28.6 4 4 A D S < S- 0 0 82 -3,-1.4 2,-0.2 32,-0.1 12,-0.1 -0.523 71.5-104.2 -81.4 154.5 33.5 27.8 32.3 5 5 A P - 0 0 105 0, 0.0 2,-0.6 0, 0.0 10,-0.1 -0.541 23.6-143.3 -78.8 140.6 34.0 25.1 34.9 6 6 A L E +A 14 0A 3 8,-0.6 8,-2.1 -2,-0.2 2,-0.4 -0.920 24.9 170.5-100.8 119.2 31.0 23.7 36.9 7 7 A V E -A 13 0A 60 -2,-0.6 2,-0.5 6,-0.2 6,-0.2 -0.993 21.5-145.1-124.7 135.9 31.8 23.0 40.6 8 8 A I E >> S-A 12 0A 0 4,-2.7 4,-2.4 -2,-0.4 3,-2.3 -0.910 74.6 -13.1-108.3 131.4 28.9 22.1 42.9 9 9 A N T 34 S- 0 0 48 38,-2.7 -1,-0.2 -2,-0.5 39,-0.1 0.642 113.9 -76.1 59.3 19.0 29.0 23.2 46.6 10 10 A G T 34 S+ 0 0 71 37,-0.5 -1,-0.3 2,-0.2 3,-0.1 0.646 131.3 69.8 70.9 11.6 32.7 24.0 46.3 11 11 A E T <4 S+ 0 0 145 -3,-2.3 2,-0.6 1,-0.2 -2,-0.2 0.695 74.7 69.4-133.3 -31.0 33.2 20.3 46.4 12 12 A I E < -A 8 0A 32 -4,-2.4 -4,-2.7 2,-0.0 2,-0.4 -0.919 62.7-147.7-114.4 115.6 32.1 18.2 43.4 13 13 A E E -A 7 0A 144 -2,-0.6 2,-0.5 -6,-0.2 -6,-0.2 -0.640 14.7-157.7 -77.5 126.5 33.9 18.6 40.0 14 14 A I E -A 6 0A 13 -8,-2.1 2,-0.7 -2,-0.4 -8,-0.6 -0.952 11.9-141.2-112.7 122.7 31.5 18.2 37.1 15 15 A V + 0 0 68 -2,-0.5 238,-1.8 1,-0.2 3,-0.1 -0.720 29.5 167.7 -75.4 111.3 32.9 17.2 33.6 16 16 A T + 0 0 13 -2,-0.7 17,-2.6 1,-0.2 2,-0.4 0.508 63.4 42.2-105.2 -7.5 30.7 19.3 31.3 17 17 A R E +B 32 0B 57 15,-0.2 15,-0.2 234,-0.1 -1,-0.2 -0.998 69.7 165.2-140.8 134.0 32.7 18.8 28.1 18 18 A A E -B 31 0B 9 13,-2.5 13,-2.7 -2,-0.4 234,-0.1 -0.971 43.9 -84.1-147.9 159.3 34.2 15.5 27.0 19 19 A P - 0 0 114 0, 0.0 11,-0.2 0, 0.0 10,-0.1 -0.326 62.4 -94.8 -63.1 147.4 35.7 13.8 23.9 20 20 A T - 0 0 23 9,-0.4 5,-0.1 8,-0.2 229,-0.1 -0.427 43.0-103.6 -69.1 134.3 32.9 12.4 21.8 21 21 A P >> - 0 0 14 0, 0.0 3,-2.0 0, 0.0 4,-0.7 -0.233 33.9-113.1 -52.5 143.5 32.0 8.7 22.4 22 22 A A G >4 S+ 0 0 98 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.862 115.4 56.4 -53.0 -40.1 33.5 6.5 19.7 23 23 A H G 34 S+ 0 0 61 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.732 116.4 36.4 -66.7 -15.8 30.0 5.5 18.3 24 24 A L G X> S+ 0 0 2 -3,-2.0 3,-2.6 1,-0.1 4,-0.9 0.345 81.2 112.4-114.7 3.7 29.1 9.2 17.8 25 25 A A T << S+ 0 0 55 -3,-1.1 3,-0.1 -4,-0.7 -1,-0.1 0.769 70.4 61.5 -59.5 -28.6 32.5 10.6 16.7 26 26 A D T 34 S+ 0 0 155 -4,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.663 108.4 45.5 -63.5 -17.1 31.5 11.4 13.1 27 27 A R T <4 S+ 0 0 130 -3,-2.6 2,-0.4 1,-0.2 -2,-0.2 0.707 112.2 30.4-108.6 -27.1 28.8 13.8 14.4 28 28 A F < - 0 0 6 -4,-0.9 -1,-0.2 -3,-0.1 -8,-0.2 -0.998 54.5-143.9-136.6 144.0 30.3 16.1 17.1 29 29 A D S S- 0 0 172 -2,-0.4 -9,-0.4 1,-0.3 2,-0.3 0.775 92.5 -13.3 -75.8 -26.2 33.7 17.4 17.8 30 30 A E S S- 0 0 72 -11,-0.2 2,-0.3 -3,-0.1 -1,-0.3 -0.955 72.4-113.0-160.8 163.6 33.0 17.0 21.5 31 31 A I E -B 18 0B 0 -13,-2.7 -13,-2.5 -2,-0.3 2,-0.3 -0.770 32.7-165.1-104.7 151.7 30.0 16.3 23.8 32 32 A R E -B 17 0B 14 -2,-0.3 164,-0.3 -15,-0.2 -15,-0.2 -0.984 21.5-112.8-139.4 140.3 28.7 19.0 26.1 33 33 A S > - 0 0 0 -17,-2.6 3,-1.6 -2,-0.3 4,-0.2 -0.395 31.6-117.6 -62.3 150.5 26.3 19.2 29.2 34 34 A G G > S+ 0 0 5 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.755 113.8 72.6 -57.3 -24.4 23.1 21.2 28.7 35 35 A W G > S+ 0 0 4 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.843 86.0 62.8 -60.2 -31.3 24.5 23.4 31.4 36 36 A T G < S+ 0 0 3 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.549 100.4 53.2 -74.8 -6.0 27.0 24.7 28.9 37 37 A F G < S+ 0 0 5 -3,-1.7 -1,-0.3 -4,-0.2 2,-0.2 0.366 91.4 96.3-105.5 3.1 24.2 26.2 26.8 38 38 A R S < S- 0 0 27 -3,-1.4 222,-0.0 -4,-0.3 -3,-0.0 -0.574 81.1-100.4 -94.7 156.7 22.5 28.1 29.6 39 39 A T > - 0 0 85 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.232 39.2-103.3 -66.9 163.7 23.0 31.8 30.5 40 40 A D H > S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.854 119.4 53.4 -58.6 -38.6 25.3 32.7 33.4 41 41 A D H > S+ 0 0 114 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.903 112.9 42.3 -67.8 -40.1 22.5 33.4 35.8 42 42 A T H >> S+ 0 0 20 1,-0.2 3,-1.0 2,-0.2 4,-0.6 0.902 110.8 57.3 -74.0 -39.4 20.9 30.1 35.2 43 43 A Q H >< S+ 0 0 8 -4,-2.8 3,-1.0 1,-0.3 4,-0.5 0.856 100.6 58.5 -55.9 -36.8 24.3 28.3 35.3 44 44 A A H >< S+ 0 0 36 -4,-1.9 3,-1.0 1,-0.2 4,-0.4 0.776 92.3 68.0 -66.6 -26.5 24.9 29.8 38.8 45 45 A L H X< S+ 0 0 52 -3,-1.0 3,-0.5 -4,-0.7 -1,-0.2 0.786 98.9 50.8 -67.6 -25.6 21.7 28.1 40.2 46 46 A E T << S+ 0 0 0 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.642 93.0 76.8 -85.5 -11.9 23.3 24.6 39.8 47 47 A M T < S+ 0 0 86 -3,-1.0 -38,-2.7 -4,-0.5 -37,-0.5 0.663 100.1 34.6 -74.8 -15.1 26.6 25.6 41.6 48 48 A D X> - 0 0 48 -3,-0.5 3,-2.1 -4,-0.4 4,-0.8 -0.986 68.2-143.1-145.0 127.9 25.1 25.4 45.1 49 49 A D T 34 S+ 0 0 34 -2,-0.4 3,-0.5 1,-0.3 6,-0.3 0.785 102.9 65.7 -61.7 -25.8 22.5 23.0 46.4 50 50 A F T 34 S+ 0 0 198 1,-0.2 -1,-0.3 -3,-0.1 -5,-0.0 0.752 108.8 38.4 -66.3 -23.3 21.1 25.9 48.5 51 51 A E T <4 S+ 0 0 102 -3,-2.1 2,-0.8 -6,-0.2 -1,-0.2 0.476 96.2 90.1-103.3 -6.0 20.2 27.7 45.3 52 52 A N >< - 0 0 4 -4,-0.8 3,-1.9 -3,-0.5 4,-0.4 -0.820 59.4-163.5 -96.8 101.6 19.0 24.6 43.3 53 53 A S T >> S+ 0 0 55 -2,-0.8 3,-1.1 1,-0.3 4,-0.7 0.746 85.1 73.0 -61.5 -20.5 15.2 24.2 44.0 54 54 A G H 3> S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 3,-0.5 0.823 86.8 62.6 -57.3 -31.7 15.5 20.7 42.7 55 55 A M H <> S+ 0 0 27 -3,-1.9 4,-2.2 -6,-0.3 -1,-0.2 0.675 88.0 69.9 -76.8 -13.1 17.4 19.7 45.9 56 56 A V H <> S+ 0 0 87 -3,-1.1 4,-2.1 -4,-0.4 -1,-0.2 0.940 102.6 44.8 -65.4 -41.3 14.3 20.6 48.0 57 57 A F H X S+ 0 0 63 -4,-0.7 4,-2.4 -3,-0.5 -2,-0.2 0.855 110.3 55.1 -66.8 -38.6 12.6 17.5 46.5 58 58 A V H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.907 106.1 51.0 -59.1 -42.6 15.8 15.5 47.0 59 59 A E H X S+ 0 0 123 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.934 109.2 51.8 -66.8 -40.0 15.7 16.4 50.7 60 60 A E H X S+ 0 0 118 -4,-2.1 4,-1.8 1,-0.2 3,-0.4 0.924 108.6 49.5 -54.6 -44.8 12.1 15.2 50.8 61 61 A A H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.803 100.9 64.7 -67.9 -26.3 13.0 11.9 49.2 62 62 A R H X S+ 0 0 68 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.890 105.6 45.2 -62.6 -38.6 15.9 11.5 51.8 63 63 A A H >< S+ 0 0 61 -4,-1.3 3,-0.7 -3,-0.4 4,-0.4 0.902 110.9 52.1 -69.1 -40.3 13.2 11.3 54.4 64 64 A V H >< S+ 0 0 22 -4,-1.8 3,-1.5 1,-0.2 12,-0.4 0.882 100.1 65.0 -58.8 -36.7 11.1 8.9 52.3 65 65 A W H 3< S+ 0 0 10 -4,-2.6 12,-2.2 1,-0.3 -1,-0.2 0.855 108.8 38.4 -58.9 -34.7 14.2 6.7 52.0 66 66 A D T << S+ 0 0 106 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.401 95.9 102.1 -94.5 0.6 14.0 6.1 55.8 67 67 A R S < S- 0 0 120 -3,-1.5 9,-0.3 -4,-0.4 7,-0.1 -0.755 71.7-129.0 -94.8 120.2 10.2 5.8 56.0 68 68 A P + 0 0 77 0, 0.0 2,-0.3 0, 0.0 7,-0.3 -0.367 37.7 169.7 -63.6 138.2 8.6 2.4 56.3 69 69 A E + 0 0 35 5,-2.1 5,-0.4 50,-0.1 3,-0.2 -0.968 33.6 34.2-150.0 135.4 5.8 2.1 53.7 70 70 A G S > S- 0 0 36 -2,-0.3 3,-1.4 1,-0.2 51,-0.3 -0.329 97.4 -64.0 107.9 170.3 3.8 -0.9 52.6 71 71 A T T 3 S+ 0 0 113 49,-1.7 49,-0.2 1,-0.3 -1,-0.2 0.754 127.1 62.3 -69.1 -23.2 2.5 -4.1 54.3 72 72 A E T 3 S- 0 0 115 47,-2.0 -1,-0.3 -3,-0.2 48,-0.1 0.571 101.1-131.9 -81.1 -5.9 6.0 -5.3 55.0 73 73 A G < + 0 0 48 -3,-1.4 2,-0.3 46,-0.4 -3,-0.1 0.767 59.7 135.1 60.7 27.5 6.7 -2.3 57.2 74 74 A K - 0 0 94 -5,-0.4 -5,-2.1 45,-0.3 2,-0.3 -0.807 43.4-152.1-107.4 152.5 10.1 -1.7 55.6 75 75 A A >> - 0 0 2 -2,-0.3 3,-1.7 -7,-0.3 4,-0.7 -0.775 36.6-106.7-110.3 161.2 11.9 1.4 54.3 76 76 A C H >> S+ 0 0 25 -12,-0.4 4,-2.5 -9,-0.3 3,-1.4 0.905 120.2 60.1 -50.8 -42.7 14.4 1.5 51.4 77 77 A A H 3> S+ 0 0 19 -12,-2.2 4,-1.6 1,-0.3 -1,-0.3 0.705 89.3 69.2 -60.4 -23.6 17.1 2.0 54.1 78 78 A D H <4 S+ 0 0 102 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.817 117.3 22.9 -70.4 -26.9 16.3 -1.3 55.9 79 79 A C H << S+ 0 0 98 -3,-1.4 -2,-0.2 -4,-0.7 -1,-0.2 0.772 133.4 34.7-102.7 -33.7 17.7 -3.2 52.9 80 80 A H H < S- 0 0 80 -4,-2.5 -3,-0.2 1,-0.3 -2,-0.2 0.471 92.9-143.7-105.0 -4.0 20.0 -0.7 51.1 81 81 A G < - 0 0 36 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.1 -0.355 63.0 -0.3 68.3-156.6 21.4 1.1 54.1 82 82 A A S >> S- 0 0 52 1,-0.1 4,-3.1 -4,-0.1 3,-1.6 -0.446 72.6-128.9 -70.3 134.6 22.2 4.9 53.9 83 83 A V H 3> S+ 0 0 2 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.847 105.4 63.6 -58.8 -31.8 21.4 6.1 50.4 84 84 A D H 34 S+ 0 0 69 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.781 118.2 27.2 -64.6 -27.2 24.8 7.8 50.0 85 85 A D H X4 S+ 0 0 132 -3,-1.6 3,-0.9 2,-0.1 -2,-0.2 0.820 121.2 51.6 -94.2 -49.4 26.4 4.3 50.2 86 86 A G H 3< S+ 0 0 28 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.758 120.1 32.7 -67.9 -24.4 23.6 2.0 49.0 87 87 A M T >X S+ 0 0 14 -4,-2.2 3,-1.8 -5,-0.3 4,-0.5 0.362 83.5 138.6-112.0 6.5 23.0 3.9 45.8 88 88 A Y T <4 S+ 0 0 147 -3,-0.9 54,-0.1 1,-0.3 51,-0.1 -0.289 78.9 0.7 -57.5 127.6 26.5 5.1 45.1 89 89 A G T 3> S+ 0 0 15 49,-0.2 4,-0.5 50,-0.1 -1,-0.3 0.246 97.5 112.0 83.9 -16.0 27.4 4.8 41.4 90 90 A L H X> S+ 0 0 52 -3,-1.8 3,-1.8 1,-0.2 4,-0.9 0.923 71.5 53.8 -64.3 -45.1 24.1 3.4 40.3 91 91 A R H 3< S+ 0 0 29 -4,-0.5 3,-0.5 47,-0.4 -1,-0.2 0.853 101.2 62.8 -59.9 -33.5 22.8 6.4 38.2 92 92 A A H 34 S+ 0 0 5 -3,-0.3 56,-2.9 1,-0.2 -1,-0.3 0.687 110.1 37.4 -63.6 -20.0 26.1 6.4 36.2 93 93 A V H << S+ 0 0 49 -3,-1.8 57,-0.4 -4,-0.5 -1,-0.2 0.489 92.0 131.1-119.5 -1.6 25.4 2.8 34.8 94 94 A Y < + 0 0 27 -4,-0.9 2,-0.1 -3,-0.5 12,-0.1 -0.764 45.4 55.0 -96.0 152.7 21.6 2.7 34.1 95 95 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 11,-0.2 0.471 86.7 145.5 -68.6 148.9 19.8 1.8 31.9 96 96 A K E -C 105 0C 80 9,-1.6 9,-2.4 -2,-0.1 2,-0.2 -0.982 57.1 -82.5-153.7 160.3 21.6 -1.5 31.9 97 97 A Y E -C 104 0C 87 -2,-0.3 2,-0.6 7,-0.3 7,-0.3 -0.452 45.0-149.7 -66.0 130.4 20.9 -5.2 31.3 98 98 A V E >>> -C 103 0C 14 5,-2.9 3,-1.6 -2,-0.2 4,-1.5 -0.933 7.4-144.6-114.0 117.1 19.6 -6.7 34.5 99 99 A E G >45S+ 0 0 170 -2,-0.6 3,-0.7 1,-0.3 -1,-0.2 0.875 98.0 49.3 -39.4 -56.2 20.3 -10.4 35.3 100 100 A S G 345S+ 0 0 113 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.719 117.6 41.4 -68.9 -17.9 17.0 -11.2 36.9 101 101 A A G <45S- 0 0 40 -3,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.550 91.3-137.9-103.9 -14.8 15.0 -9.7 34.1 102 102 A G T <<5S+ 0 0 44 -4,-1.5 2,-0.3 -3,-0.7 -3,-0.2 0.790 77.3 78.7 57.1 27.9 16.9 -10.8 31.0 103 103 A K E - 0 0 0 -2,-0.3 4,-1.8 -11,-0.2 5,-0.1 -0.615 31.9-106.7-102.1 165.6 15.7 1.7 33.9 107 107 A V H > S+ 0 0 6 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.887 119.7 56.3 -56.7 -42.6 16.1 2.9 37.5 108 108 A E H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 105.0 51.7 -60.2 -41.1 12.4 3.6 37.8 109 109 A Q H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 110.0 49.1 -61.8 -39.1 11.5 0.0 36.8 110 110 A M H X S+ 0 0 56 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.927 109.8 51.6 -64.3 -46.2 13.8 -1.3 39.5 111 111 A I H X S+ 0 0 24 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.934 111.4 46.2 -57.3 -49.0 12.4 1.0 42.2 112 112 A N H X S+ 0 0 13 -4,-2.4 4,-2.0 1,-0.2 5,-0.3 0.841 107.1 58.6 -70.1 -29.7 8.8 -0.1 41.4 113 113 A A H X S+ 0 0 42 -4,-2.0 4,-2.2 -5,-0.2 5,-0.4 0.903 109.9 44.4 -56.8 -44.3 9.9 -3.8 41.4 114 114 A C H X>S+ 0 0 34 -4,-2.0 4,-2.0 3,-0.2 5,-1.7 0.931 110.2 54.9 -67.4 -45.2 11.1 -3.2 45.0 115 115 A R H <5S+ 0 0 8 -4,-2.5 6,-3.2 3,-0.2 5,-0.3 0.912 119.6 31.4 -53.0 -44.8 7.9 -1.3 46.1 116 116 A T H X5S+ 0 0 65 -4,-2.0 4,-0.6 4,-0.2 -2,-0.2 0.948 128.1 33.6 -86.9 -45.2 5.6 -4.1 45.0 117 117 A S H <5S+ 0 0 85 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.799 132.6 23.6 -88.2 -19.6 7.5 -7.3 45.5 118 118 A R T <5S+ 0 0 165 -4,-2.0 -3,-0.2 -5,-0.4 -1,-0.2 0.688 130.3 34.3-115.5 -21.0 9.6 -6.4 48.6 119 119 A M T 4 - 0 0 136 -2,-0.4 3,-1.5 1,-0.1 6,-0.5 -0.385 39.2-121.8 -49.5 130.5 3.6 6.7 38.8 126 126 A Y T 3 S+ 0 0 35 1,-0.3 -1,-0.1 107,-0.1 90,-0.1 0.826 106.5 21.7 -52.7 -50.4 6.5 6.3 36.5 127 127 A I T 3 S+ 0 0 26 89,-0.1 87,-0.3 87,-0.1 -1,-0.3 0.217 101.4 118.5-104.2 17.2 6.9 10.1 35.7 128 128 A G S <> S- 0 0 11 -3,-1.5 4,-2.3 1,-0.1 5,-0.2 -0.155 79.0-100.1 -72.9 174.1 5.1 11.3 38.8 129 129 A P H > S+ 0 0 103 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.829 116.9 54.5 -66.9 -32.2 6.6 13.5 41.6 130 130 A D H > S+ 0 0 99 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.951 114.9 39.3 -67.0 -47.2 7.2 10.7 44.1 131 131 A M H > S+ 0 0 0 -6,-0.5 4,-2.6 1,-0.2 5,-0.2 0.903 114.9 52.3 -67.9 -41.7 9.2 8.6 41.7 132 132 A T H X S+ 0 0 4 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.872 108.1 51.0 -72.8 -28.9 11.0 11.6 40.1 133 133 A A H X S+ 0 0 11 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.919 111.9 47.8 -70.4 -39.6 12.2 12.9 43.5 134 134 A M H X S+ 0 0 5 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.905 111.2 50.1 -67.1 -41.0 13.6 9.4 44.5 135 135 A V H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.868 110.4 51.8 -65.1 -33.3 15.4 9.1 41.1 136 136 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.900 107.8 50.4 -68.0 -40.4 16.8 12.6 41.7 137 137 A L H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.963 111.3 49.0 -60.3 -47.8 18.1 11.6 45.2 138 138 A I H < S+ 0 0 4 -4,-2.5 -47,-0.4 1,-0.2 4,-0.4 0.914 113.9 46.4 -55.6 -44.7 19.7 8.5 43.6 139 139 A A H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.915 107.2 59.4 -60.2 -40.8 21.3 10.8 40.8 140 140 A S H >< S+ 0 0 8 -4,-2.6 3,-0.9 1,-0.3 -1,-0.2 0.768 98.3 56.4 -68.9 -28.5 22.4 13.3 43.4 141 141 A V T 3< S+ 0 0 20 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.552 109.3 47.0 -85.4 -2.2 24.6 10.9 45.4 142 142 A S T X S+ 0 0 1 -3,-1.7 3,-2.1 -4,-0.4 112,-0.4 0.185 78.3 144.9-112.4 14.1 26.6 10.0 42.3 143 143 A R T < + 0 0 28 -3,-0.9 112,-0.2 1,-0.2 -130,-0.1 -0.271 67.3 25.6 -58.4 136.9 27.3 13.6 41.0 144 144 A G T 3 S+ 0 0 23 110,-2.3 -1,-0.2 1,-0.4 -129,-0.1 0.183 91.2 118.7 96.4 -18.5 30.7 14.0 39.4 145 145 A M S < S- 0 0 46 -3,-2.1 109,-3.1 109,-0.1 -1,-0.4 -0.613 73.3-106.1 -78.4 140.1 31.0 10.3 38.4 146 146 A P B -D 253 0D 70 0, 0.0 107,-0.3 0, 0.0 2,-0.2 -0.447 29.6-113.4 -69.6 137.6 31.3 9.7 34.7 147 147 A V + 0 0 15 105,-3.1 104,-1.9 102,-0.3 -54,-0.2 -0.503 41.0 174.9 -65.0 134.4 28.2 8.3 32.9 148 148 A S + 0 0 64 -56,-2.9 2,-0.4 102,-0.2 99,-0.1 -0.544 3.1 168.4-146.4 68.8 29.2 4.9 31.7 149 149 A V - 0 0 6 97,-0.2 2,-0.2 94,-0.1 -55,-0.1 -0.756 35.2-122.4 -90.9 135.6 26.4 3.0 30.1 150 150 A A - 0 0 61 -2,-0.4 97,-0.1 -57,-0.4 -53,-0.1 -0.501 26.1-178.0 -72.8 139.8 27.2 -0.2 28.2 151 151 A I + 0 0 44 -2,-0.2 2,-0.1 96,-0.1 9,-0.1 0.380 61.1 52.3-120.1 -3.9 26.1 -0.2 24.5 152 152 A D S > S+ 0 0 105 3,-0.1 3,-1.8 7,-0.1 4,-0.1 -0.421 84.8 39.7-119.9-163.1 27.3 -3.7 23.5 153 153 A G G > S- 0 0 47 1,-0.2 3,-1.6 2,-0.2 4,-0.3 -0.327 127.8 -7.2 61.5-139.2 26.8 -7.3 24.7 154 154 A P G 3 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.660 138.1 56.2 -68.9 -9.2 23.4 -8.0 25.9 155 155 A A G <> S+ 0 0 5 -3,-1.8 4,-2.7 1,-0.1 5,-0.2 0.495 81.7 95.4 -91.5 -8.9 22.3 -4.3 25.6 156 156 A Q H <> S+ 0 0 92 -3,-1.6 4,-2.8 1,-0.2 5,-0.2 0.903 81.9 45.4 -57.0 -48.7 23.3 -4.1 21.9 157 157 A S H > S+ 0 0 84 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.882 115.8 49.6 -65.0 -34.2 19.8 -4.8 20.3 158 158 A T H > S+ 0 0 33 -4,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.937 111.0 47.4 -67.9 -47.4 18.2 -2.3 22.7 159 159 A W H X S+ 0 0 17 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.918 111.6 52.3 -58.3 -44.1 20.8 0.4 22.0 160 160 A E H X S+ 0 0 65 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.897 108.6 49.8 -60.3 -40.2 20.4 -0.2 18.3 161 161 A K H X S+ 0 0 79 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.901 110.7 51.0 -64.5 -42.9 16.6 0.2 18.6 162 162 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 78,-0.3 -2,-0.2 0.927 108.7 50.9 -57.5 -45.1 17.2 3.4 20.5 163 163 A R H X S+ 0 0 105 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.886 107.6 53.0 -60.7 -42.0 19.5 4.7 17.8 164 164 A E H < S+ 0 0 130 -4,-2.1 3,-0.4 1,-0.2 4,-0.2 0.921 111.3 47.5 -60.7 -44.2 16.9 4.0 15.1 165 165 A I H >< S+ 0 0 10 -4,-2.1 3,-1.8 1,-0.2 12,-0.4 0.925 105.4 57.9 -62.2 -40.8 14.3 6.0 17.1 166 166 A Y H 3< S+ 0 0 4 -4,-2.3 12,-1.6 1,-0.3 11,-0.6 0.806 113.2 40.0 -62.3 -31.2 16.7 8.9 17.7 167 167 A Y T 3< S+ 0 0 69 -4,-1.3 2,-0.5 -3,-0.4 -1,-0.3 0.285 91.3 105.7-105.8 14.1 17.1 9.4 13.9 168 168 A T < - 0 0 44 -3,-1.8 2,-0.4 -4,-0.2 9,-0.3 -0.797 69.6-127.5 -94.2 128.1 13.5 8.7 12.9 169 169 A R - 0 0 54 -2,-0.5 2,-0.3 7,-0.2 7,-0.3 -0.605 34.7-173.6 -70.7 131.5 11.4 11.8 11.8 170 170 A Y B > +E 175 0E 21 5,-2.6 5,-2.1 -2,-0.4 4,-0.3 -0.842 32.0 18.4-122.3 163.4 8.1 11.9 13.7 171 171 A G T > 5S- 0 0 0 191,-2.3 3,-0.6 -2,-0.3 191,-0.4 0.113 94.7 -66.5 77.7 172.8 4.9 14.0 13.7 172 172 A Q T 3 5S+ 0 0 5 55,-1.8 182,-0.4 1,-0.2 55,-0.2 0.747 136.0 58.8 -70.4 -20.5 3.4 16.2 11.0 173 173 A L T 3 5S- 0 0 31 53,-2.4 -1,-0.2 180,-0.1 -2,-0.2 0.671 103.9-143.1 -78.1 -18.1 6.3 18.6 11.5 174 174 A D T < 5 + 0 0 32 -3,-0.6 2,-0.3 52,-0.5 -3,-0.2 0.946 42.4 146.8 64.0 58.8 8.5 15.5 10.5 175 175 A L B < -E 170 0E 30 -5,-2.1 -5,-2.6 51,-0.1 2,-0.2 -0.955 35.3-150.5-131.5 145.3 11.5 16.0 12.8 176 176 A S >> - 0 0 16 -2,-0.3 4,-1.0 -7,-0.3 3,-0.6 -0.651 37.5-104.8-103.9 163.5 13.9 13.5 14.5 177 177 A C H >> S+ 0 0 37 -11,-0.6 4,-2.5 -12,-0.4 3,-0.7 0.932 125.2 54.2 -50.5 -42.3 15.7 14.1 17.8 178 178 A A H 3>>S+ 0 0 4 -12,-1.6 5,-2.4 1,-0.2 4,-1.6 0.802 92.2 71.3 -67.1 -28.6 18.8 14.6 15.6 179 179 A S H <45S+ 0 0 2 -3,-0.6 5,-0.3 3,-0.2 -1,-0.2 0.922 117.3 19.3 -52.7 -44.5 17.1 17.3 13.4 180 180 A C H < S+ 0 0 59 -4,-0.8 3,-2.0 -6,-0.4 10,-0.2 0.216 75.1 140.7-119.9 20.2 21.3 22.5 15.0 185 185 A F T 3 S+ 0 0 54 1,-0.2 10,-0.2 -3,-0.2 3,-0.1 -0.286 73.5 32.0 -57.4 152.7 22.8 22.5 18.5 186 186 A D T 3 S+ 0 0 71 8,-3.6 -1,-0.2 1,-0.3 2,-0.2 0.299 101.6 101.3 71.7 -0.3 24.0 25.9 19.5 187 187 A H S < S- 0 0 66 -3,-2.0 7,-3.0 -7,-0.2 2,-0.4 -0.504 73.4-113.0 -93.8 175.3 21.3 27.6 17.4 188 188 A Y E -F 193 0F 97 5,-0.2 131,-2.3 -2,-0.2 132,-0.9 -0.887 13.1-160.0-109.6 140.4 18.1 29.0 18.8 189 189 A I E > S-F 192 0F 47 3,-2.3 3,-2.4 -2,-0.4 118,-0.2 -0.978 79.5 -51.0-111.3 112.3 14.5 27.9 18.4 190 190 A R T 3 S- 0 0 45 116,-2.2 126,-0.1 -2,-0.6 129,-0.1 -0.362 123.7 -22.1 48.7-125.6 12.7 31.1 19.3 191 191 A A T 3 S+ 0 0 64 -3,-0.1 2,-0.5 124,-0.1 -1,-0.3 0.455 116.7 101.1 -88.7 3.1 14.2 32.1 22.7 192 192 A D E < -F 189 0F 90 -3,-2.4 -3,-2.3 69,-0.0 2,-0.7 -0.741 67.6-138.7 -93.0 128.6 15.5 28.6 23.6 193 193 A H E -F 188 0F 36 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.736 25.8-125.7 -86.0 115.2 19.2 27.8 23.0 194 194 A L - 0 0 17 -7,-3.0 -8,-3.6 -2,-0.7 2,-0.1 -0.488 29.6-173.8 -67.7 122.6 19.5 24.3 21.5 195 195 A S - 0 0 18 -2,-0.3 -8,-0.1 -10,-0.2 -11,-0.1 -0.283 45.5 -89.2 -91.4-172.5 21.8 21.9 23.4 196 196 A Q - 0 0 2 -164,-0.3 -15,-0.1 -2,-0.1 -2,-0.1 0.366 58.9-115.0 -82.4 5.6 22.8 18.4 22.4 197 197 A G + 0 0 20 1,-0.2 2,-0.1 -17,-0.1 -164,-0.1 0.916 53.8 172.2 68.3 37.4 19.8 17.0 24.2 198 198 A Q - 0 0 17 -166,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.491 29.5-158.7 -82.8 155.3 21.8 15.1 26.8 199 199 A I > + 0 0 21 46,-0.3 3,-1.9 -2,-0.1 47,-0.1 0.221 62.6 107.0-118.7 17.8 20.3 13.4 29.8 200 200 A N T 3 S+ 0 0 15 1,-0.3 55,-2.5 54,-0.1 56,-0.8 0.700 82.7 53.2 -69.1 -17.8 23.3 13.2 32.2 201 201 A G T 3 S+ 0 0 2 54,-0.2 57,-1.9 53,-0.2 -1,-0.3 0.289 93.9 164.2 -97.6 10.0 21.7 16.0 34.3 202 202 A F < + 0 0 20 -3,-1.9 54,-0.3 55,-0.2 53,-0.2 -0.489 48.0 48.8 -88.3 157.1 18.2 14.3 34.8 203 203 A P S S- 0 0 3 0, 0.0 55,-0.6 0, 0.0 2,-0.4 0.499 89.8-155.0 -66.7 141.2 15.8 14.5 36.4 204 204 A S E -Gh 213 258G 1 9,-1.6 9,-2.0 53,-0.2 2,-0.7 -0.752 15.2-138.1 -97.5 142.2 16.0 18.2 35.5 205 205 A Y E -Gh 212 259G 23 53,-3.2 55,-2.3 -2,-0.4 2,-0.5 -0.841 25.8-154.7 -89.5 114.3 14.5 21.0 37.6 206 206 A R E >> -Gh 211 260G 21 5,-1.9 4,-2.2 -2,-0.7 5,-0.6 -0.812 15.2-152.0 -97.7 129.6 13.0 23.3 34.9 207 207 A L T 45S+ 0 0 74 53,-2.5 54,-0.2 -2,-0.5 -1,-0.2 0.828 95.4 63.8 -69.6 -26.9 12.6 26.9 35.9 208 208 A K T 45S+ 0 0 145 52,-0.3 -1,-0.2 1,-0.2 53,-0.1 0.898 119.5 17.0 -59.4 -49.9 9.7 27.0 33.5 209 209 A N T 45S- 0 0 55 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.482 94.5-134.2-110.4 3.7 7.5 24.5 35.4 210 210 A A T <5S+ 0 0 54 -4,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.806 70.9 91.1 52.8 38.4 9.2 24.6 38.7 211 211 A R E - 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