==== 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 OXIDOREDUCTASE 02-NOV-00 1GED . COMPND 2 MOLECULE: CYTOCHROME P450 55A1; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR T.KUDO,N.TAKAYA,S.-Y.PARK,Y.SHIRO,H.SHOUN . 399 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18240.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 6.8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 18 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 37.3 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 2 1 2 0 2 2 0 3 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 PARALLEL BRIDGES PER LADDER . 0 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 5 A A 0 0 81 0, 0.0 29,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 132.1 30.8 -11.3 22.4 2 6 A P - 0 0 71 0, 0.0 29,-4.0 0, 0.0 2,-0.3 -0.397 360.0 -98.3 -80.0 156.6 34.0 -11.3 20.3 3 7 A S E -a 31 0A 89 27,-0.2 29,-0.2 -2,-0.1 27,-0.0 -0.587 46.4-122.9 -79.0 132.1 37.5 -10.8 21.6 4 8 A F E S+a 32 0A 9 27,-3.3 29,-0.5 -2,-0.3 2,-0.2 -0.944 87.4 59.1-124.5 147.0 39.0 -7.4 21.2 5 9 A P S S- 0 0 39 0, 0.0 -2,-0.1 0, 0.0 279,-0.0 0.367 87.8-142.9 -56.1 142.5 41.5 -6.0 20.0 6 10 A F - 0 0 14 -2,-0.2 2,-0.4 1,-0.1 -2,-0.1 -0.260 19.5-102.5 -75.3 172.2 40.2 -7.4 16.7 7 11 A S - 0 0 57 7,-0.1 9,-0.4 1,-0.1 10,-0.3 -0.851 36.4-104.4-103.1 136.6 42.7 -8.6 14.2 8 12 A R - 0 0 9 378,-3.2 3,-0.1 -2,-0.4 378,-0.1 -0.251 26.3-123.0 -55.5 139.9 43.6 -6.5 11.2 9 13 A A S S- 0 0 51 5,-1.4 2,-0.3 1,-0.2 -1,-0.2 0.764 89.1 -21.4 -56.1 -25.3 42.0 -7.8 8.0 10 14 A S S S- 0 0 32 3,-0.8 3,-0.4 376,-0.1 -1,-0.2 -0.950 91.1 -65.6-174.6 164.3 45.5 -7.9 6.6 11 15 A G S S+ 0 0 18 -2,-0.3 380,-0.3 1,-0.2 373,-0.2 0.750 129.5 18.0 -26.3 -60.5 49.0 -6.5 7.2 12 16 A P S S+ 0 0 29 0, 0.0 -1,-0.2 0, 0.0 378,-0.1 0.693 110.6 83.1 -94.2 -20.6 48.1 -2.9 6.2 13 17 A E S S- 0 0 97 -3,-0.4 -3,-0.8 1,-0.1 -4,-0.1 -0.489 76.9-111.0 -88.9 156.4 44.3 -2.8 6.5 14 18 A P - 0 0 17 0, 0.0 -5,-1.4 0, 0.0 -1,-0.1 -0.178 56.6 -62.6 -73.4 172.1 42.1 -2.2 9.5 15 19 A P >> - 0 0 9 0, 0.0 3,-1.0 0, 0.0 4,-0.6 -0.367 39.3-136.2 -60.2 129.7 39.9 -5.0 11.1 16 20 A A H 3> S+ 0 0 43 -9,-0.4 4,-1.0 1,-0.2 3,-0.1 0.734 99.6 70.0 -56.5 -25.4 37.2 -6.2 8.7 17 21 A E H 3> S+ 0 0 72 -10,-0.3 4,-2.8 1,-0.2 3,-0.4 0.897 84.1 67.2 -61.7 -44.9 34.8 -6.0 11.6 18 22 A F H <> S+ 0 0 5 -3,-1.0 4,-3.1 1,-0.3 5,-0.2 0.901 100.9 45.5 -43.5 -60.1 34.7 -2.3 11.9 19 23 A A H X S+ 0 0 43 -4,-0.6 4,-1.0 1,-0.2 -1,-0.3 0.871 114.0 52.4 -54.1 -38.3 32.9 -1.6 8.6 20 24 A K H >X S+ 0 0 126 -4,-1.0 4,-2.0 -3,-0.4 3,-0.7 0.960 112.6 42.7 -61.8 -53.8 30.5 -4.4 9.5 21 25 A L H 3X S+ 0 0 29 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.877 107.6 59.8 -61.6 -41.4 29.7 -2.9 12.9 22 26 A R H 3< S+ 0 0 15 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.790 114.3 38.4 -58.7 -27.5 29.5 0.7 11.5 23 27 A A H << S+ 0 0 83 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.774 136.4 14.0 -93.7 -30.2 26.7 -0.6 9.2 24 28 A T H < S+ 0 0 121 -4,-2.0 -3,-0.2 -5,-0.1 -2,-0.2 0.788 136.3 16.1-114.2 -44.2 24.9 -2.9 11.6 25 29 A N < + 0 0 51 -4,-1.0 -3,-0.2 -5,-0.3 -2,-0.1 -0.583 57.6 174.8-138.9 73.0 26.0 -2.5 15.2 26 30 A P S S+ 0 0 37 0, 0.0 16,-2.1 0, 0.0 17,-0.5 0.687 81.6 35.9 -50.4 -27.4 27.8 0.9 15.7 27 31 A V E S+ B 0 41A 0 14,-0.2 2,-0.3 -6,-0.1 14,-0.2 -0.960 83.5 148.9-133.0 110.5 28.0 0.3 19.5 28 32 A S E - B 0 40A 9 12,-1.9 12,-3.3 -2,-0.4 2,-0.3 -0.810 43.1-100.2-135.2 176.6 28.5 -3.3 20.5 29 33 A Q E - B 0 39A 70 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.771 33.0-173.6-103.9 149.2 30.1 -5.3 23.3 30 34 A V E - B 0 38A 0 8,-2.2 8,-1.6 -2,-0.3 2,-0.5 -0.920 24.3-116.1-136.8 161.0 33.5 -7.0 23.1 31 35 A K E -aB 3 37A 95 -29,-4.0 -27,-3.3 -2,-0.3 2,-0.2 -0.867 27.1-149.3-102.2 128.7 35.5 -9.4 25.2 32 36 A L E > -a 4 0A 5 4,-3.0 3,-3.4 -2,-0.5 36,-0.1 -0.633 36.1 -92.7 -96.3 155.9 38.9 -8.2 26.6 33 37 A F T 3 S+ 0 0 101 -29,-0.5 35,-0.1 1,-0.3 -1,-0.1 0.689 126.3 50.2 -37.1 -29.5 41.9 -10.4 27.4 34 38 A D T 3 S- 0 0 60 33,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.174 121.0-103.4-100.9 20.1 40.8 -10.9 31.0 35 39 A G S < S+ 0 0 45 -3,-3.4 -2,-0.1 1,-0.3 -1,-0.0 0.052 80.4 130.5 86.9 -26.9 37.2 -11.9 30.1 36 40 A S - 0 0 49 -5,-0.1 -4,-3.0 1,-0.1 2,-0.3 -0.153 53.9-124.8 -60.0 153.5 35.7 -8.5 31.0 37 41 A L E +B 31 0A 80 -6,-0.2 269,-0.6 -3,-0.1 2,-0.3 -0.726 26.6 179.2-103.2 153.0 33.4 -6.8 28.6 38 42 A A E -Bc 30 306A 0 -8,-1.6 -8,-2.2 -2,-0.3 2,-0.5 -0.953 31.9-108.0-144.9 158.0 33.7 -3.3 27.2 39 43 A W E -Bc 29 307A 22 267,-3.0 269,-3.6 -2,-0.3 2,-0.6 -0.819 27.9-151.4 -95.3 129.1 31.6 -1.2 24.8 40 44 A L E -Bc 28 308A 0 -12,-3.3 -12,-1.9 -2,-0.5 2,-0.4 -0.895 7.3-164.0-105.5 117.6 33.1 -0.7 21.3 41 45 A V E +Bc 27 309A 0 267,-2.6 269,-2.3 -2,-0.6 -14,-0.2 -0.836 13.8 170.5-100.4 133.2 32.2 2.5 19.5 42 46 A T + 0 0 0 -16,-2.1 2,-0.2 -2,-0.4 -1,-0.1 0.667 44.1 90.3-118.4 -20.7 32.9 2.6 15.7 43 47 A K S > S- 0 0 8 -17,-0.5 4,-2.2 1,-0.1 271,-0.2 -0.563 72.1-128.9 -84.4 146.3 31.2 5.7 14.2 44 48 A H H > S+ 0 0 7 -2,-0.2 4,-2.2 270,-0.2 5,-0.2 0.899 109.0 50.3 -55.6 -47.7 33.0 9.0 14.0 45 49 A K H > S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.935 113.6 45.3 -57.9 -49.3 30.2 11.0 15.6 46 50 A D H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.787 110.5 54.3 -66.8 -30.0 30.0 8.5 18.5 47 51 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.886 107.7 49.5 -71.7 -39.2 33.8 8.5 18.9 48 52 A C H X S+ 0 0 19 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.877 109.5 53.1 -65.8 -37.9 34.0 12.3 19.2 49 53 A F H >X S+ 0 0 77 -4,-1.7 4,-2.7 -5,-0.2 3,-1.1 0.953 109.8 47.1 -60.6 -52.6 31.2 12.1 21.8 50 54 A V H 3< S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.909 109.9 53.1 -56.0 -46.7 33.1 9.6 23.9 51 55 A A H 3< S+ 0 0 4 -4,-2.3 295,-0.4 1,-0.2 294,-0.3 0.607 121.5 30.7 -68.1 -12.3 36.4 11.6 23.7 52 56 A T H << S+ 0 0 66 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.618 85.2 117.1-121.0 -19.5 34.6 14.7 25.0 53 57 A S >< - 0 0 16 -4,-2.7 3,-1.1 -5,-0.2 -4,-0.0 -0.294 53.5-149.8 -57.9 129.5 31.8 13.6 27.3 54 58 A E T 3 S+ 0 0 160 1,-0.3 -1,-0.2 -2,-0.0 -4,-0.1 0.477 92.4 71.5 -78.3 -3.2 32.3 14.8 30.9 55 59 A K T 3 S+ 0 0 82 236,-0.0 236,-3.1 2,-0.0 237,-0.7 0.353 89.4 78.0 -92.1 4.4 30.4 11.7 32.1 56 60 A L E < -D 290 0A 8 -3,-1.1 2,-0.3 234,-0.2 234,-0.2 -0.904 66.5-153.8-118.3 146.0 33.4 9.6 31.1 57 61 A S E -D 289 0A 0 232,-2.2 232,-1.3 -2,-0.4 29,-0.1 -0.854 22.4-162.3-121.6 155.0 36.7 9.1 33.0 58 62 A K + 0 0 20 -2,-0.3 2,-0.4 230,-0.2 -1,-0.1 0.431 55.2 122.8-106.7 -6.9 40.3 8.2 32.2 59 63 A V > - 0 0 43 1,-0.2 3,-0.8 230,-0.1 26,-0.1 -0.448 46.9-162.2 -63.1 114.5 41.2 7.3 35.8 60 64 A R T 3 S+ 0 0 52 -2,-0.4 5,-0.2 24,-0.3 -1,-0.2 0.573 82.3 65.0 -78.4 -11.4 42.5 3.7 35.6 61 65 A T T 3 S+ 0 0 114 2,-0.1 2,-0.3 3,-0.1 -1,-0.2 0.629 81.3 96.2 -84.1 -14.0 42.1 2.9 39.3 62 66 A R S X S- 0 0 97 -3,-0.8 3,-1.1 1,-0.1 -5,-0.0 -0.600 90.2-108.3 -72.8 130.5 38.4 3.3 38.9 63 67 A Q T 3 S+ 0 0 177 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.305 98.7 41.2 -67.8 147.2 36.9 -0.2 38.3 64 68 A G T 3 S+ 0 0 32 1,-0.3 -1,-0.2 -4,-0.1 226,-0.1 0.304 73.3 153.6 102.0 -6.3 35.7 -1.2 34.9 65 69 A F < - 0 0 22 -3,-1.1 2,-1.5 -5,-0.2 -1,-0.3 -0.368 50.4-120.3 -60.4 129.1 38.5 0.5 33.1 66 70 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.528 38.3 176.5 -74.9 85.1 39.1 -1.3 29.7 67 71 A E - 0 0 11 -2,-1.5 -33,-0.3 1,-0.1 -34,-0.1 -0.712 14.5-164.8 -87.0 142.2 42.7 -2.5 29.9 68 72 A L + 0 0 28 -2,-0.3 2,-0.3 -36,-0.1 -35,-0.2 0.466 63.8 34.6-109.5 -2.2 43.7 -4.5 26.8 69 73 A S S > S- 0 0 48 1,-0.1 4,-1.6 -37,-0.1 3,-0.2 -0.953 77.5-112.1-148.0 165.0 46.9 -6.2 28.1 70 74 A A H > S+ 0 0 59 -2,-0.3 4,-0.9 1,-0.2 5,-0.1 0.863 117.2 54.0 -65.4 -38.0 48.5 -7.7 31.2 71 75 A S H > S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.777 104.6 57.7 -68.4 -26.3 51.1 -4.9 31.3 72 76 A G H > S+ 0 0 9 2,-0.2 4,-0.5 -3,-0.2 3,-0.3 0.957 102.2 50.0 -68.7 -52.2 48.3 -2.4 31.3 73 77 A K H < S+ 0 0 88 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.751 115.5 46.8 -58.5 -23.8 46.5 -3.6 34.4 74 78 A Q H >< S+ 0 0 130 -4,-0.9 3,-1.1 1,-0.2 4,-0.4 0.776 105.9 55.8 -89.0 -30.2 49.9 -3.5 36.2 75 79 A A H 3< S+ 0 0 55 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.449 94.4 73.1 -80.2 0.9 50.8 -0.1 34.9 76 80 A A T 3< S+ 0 0 10 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.487 84.4 66.0 -91.6 -4.9 47.6 1.1 36.5 77 81 A K S < S+ 0 0 155 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.803 84.3 88.7 -84.9 -32.4 48.9 0.8 40.0 78 82 A A S S- 0 0 61 -4,-0.4 -3,-0.0 1,-0.2 0, 0.0 -0.183 99.2 -76.1 -67.7 157.4 51.6 3.5 39.7 79 83 A K - 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0 0 67 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.297 16.0-174.6 -70.3 154.0 69.0 24.0 34.5 203 207 A K - 0 0 133 2,-0.1 2,-1.0 -5,-0.0 -5,-0.0 -0.468 43.8 -67.6-128.0-160.0 69.3 24.1 30.7 204 208 A D S S+ 0 0 146 -2,-0.2 2,-0.3 4,-0.1 -50,-0.1 -0.542 90.9 95.3-100.0 69.8 66.9 24.6 27.7 205 209 A D S >> S- 0 0 10 -2,-1.0 4,-1.6 -52,-0.1 3,-0.5 -0.970 84.1 -98.8-151.6 164.8 64.8 21.5 27.9 206 210 A I H 3> S+ 0 0 4 -54,-2.7 4,-1.9 -2,-0.3 5,-0.2 0.862 118.9 54.2 -53.3 -41.9 61.5 20.1 29.1 207 211 A I H 3> S+ 0 0 2 -54,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.882 106.5 51.8 -63.6 -36.7 63.1 18.5 32.2 208 212 A S H <> S+ 0 0 2 -3,-0.5 4,-2.9 -55,-0.3 5,-0.2 0.856 107.4 53.4 -67.5 -34.0 64.6 21.8 33.2 209 213 A K H X S+ 0 0 72 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.891 110.9 45.0 -67.8 -40.3 61.2 23.5 33.0 210 214 A L H X>S+ 0 0 0 -4,-1.9 5,-2.5 2,-0.2 4,-2.4 0.930 115.8 48.0 -67.3 -45.3 59.6 20.9 35.3 211 215 A C H <>S+ 0 0 1 -4,-2.3 5,-2.6 3,-0.2 -2,-0.2 0.954 119.9 37.2 -57.9 -54.0 62.5 21.1 37.7 212 216 A T H <5S+ 0 0 68 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.871 129.5 29.9 -69.6 -41.6 62.5 24.9 37.7 213 217 A E H <5S+ 0 0 103 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.569 135.2 17.4 -99.1 -8.6 58.8 25.6 37.6 214 218 A Q T <>S+ 0 0 25 -4,-2.4 5,-1.9 -5,-0.2 6,-1.6 0.690 121.4 44.1-128.5 -47.9 57.3 22.5 39.4 215 219 A V T > - 0 0 73 -2,-0.3 4,-1.9 -3,-0.1 3,-0.5 -0.531 36.6 -92.6-103.3 171.0 58.3 16.0 43.3 222 226 A K H > S+ 0 0 102 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.885 124.7 48.8 -45.6 -52.9 61.4 14.5 41.6 223 227 A S H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.868 108.4 54.8 -59.0 -38.2 59.7 11.2 40.8 224 228 A D H > S+ 0 0 24 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.898 108.0 50.2 -61.2 -40.9 56.7 13.0 39.4 225 229 A A H X S+ 0 0 1 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.912 110.2 48.8 -63.9 -45.3 59.1 14.9 37.0 226 230 A V H X S+ 0 0 14 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.869 111.5 49.9 -64.2 -37.8 60.8 11.6 35.9 227 231 A Q H X S+ 0 0 73 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.837 109.4 50.3 -72.2 -32.4 57.4 10.0 35.2 228 232 A I H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.932 112.6 47.1 -69.5 -45.0 56.1 12.9 33.1 229 233 A A H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.903 111.5 51.6 -61.4 -41.4 59.3 12.9 31.0 230 234 A F H X S+ 0 0 26 -4,-2.1 4,-2.5 1,-0.2 3,-0.3 0.886 106.7 54.6 -63.2 -39.8 59.0 9.1 30.6 231 235 A L H X S+ 0 0 20 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.963 105.2 51.7 -58.1 -53.8 55.4 9.5 29.5 232 236 A L H < S+ 0 0 17 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.770 112.7 48.0 -55.6 -27.8 56.4 12.0 26.7 233 237 A L H X S+ 0 0 1 -4,-1.2 4,-0.8 -3,-0.3 -1,-0.2 0.914 120.0 33.4 -80.7 -45.3 59.0 9.5 25.5 234 238 A V H < S+ 0 0 37 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.696 104.0 71.8 -87.1 -19.6 56.9 6.3 25.4 235 239 A A T < S+ 0 0 66 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.1 0.780 118.9 6.1 -69.7 -28.7 53.4 7.8 24.5 236 240 A G T > S+ 0 0 32 -4,-0.4 4,-2.4 -5,-0.2 5,-0.2 0.539 101.9 89.9-133.5 -4.8 54.3 8.6 20.8 237 241 A N H X S+ 0 0 9 -4,-0.8 4,-2.3 1,-0.2 5,-0.2 0.899 92.2 45.3 -63.1 -44.8 57.7 7.3 19.8 238 242 A A H > S+ 0 0 43 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.824 114.3 51.4 -68.1 -30.6 56.7 3.9 18.6 239 243 A T H > S+ 0 0 39 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.905 109.1 49.7 -72.2 -41.8 53.8 5.4 16.7 240 244 A M H X S+ 0 0 15 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.952 109.4 50.9 -60.0 -51.9 56.0 8.0 15.0 241 245 A V H X S+ 0 0 16 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.852 114.6 46.0 -54.8 -35.8 58.5 5.3 14.0 242 246 A N H X S+ 0 0 26 -4,-1.3 4,-3.4 2,-0.2 5,-0.3 0.877 107.6 53.6 -76.2 -41.4 55.5 3.3 12.5 243 247 A M H X S+ 0 0 12 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.899 111.5 49.1 -60.6 -38.6 53.9 6.3 10.8 244 248 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.953 115.0 41.2 -65.8 -51.3 57.3 6.9 9.0 245 249 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.910 116.2 50.2 -63.9 -42.2 57.8 3.2 8.0 246 250 A L H X S+ 0 0 0 -4,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.815 107.5 57.1 -65.6 -28.4 54.1 2.9 7.0 247 251 A G H X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.3 -2,-0.2 0.929 107.8 43.9 -68.0 -46.3 54.5 6.1 5.0 248 252 A V H X S+ 0 0 1 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.914 115.9 48.9 -64.4 -42.3 57.3 4.9 2.8 249 253 A A H < S+ 0 0 2 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.807 109.1 53.3 -67.8 -29.8 55.5 1.6 2.3 250 254 A T H >X S+ 0 0 2 -4,-1.7 3,-0.8 1,-0.2 4,-0.6 0.864 106.3 52.0 -73.1 -35.1 52.3 3.4 1.4 251 255 A L H 3< S+ 0 0 2 -4,-1.9 7,-0.4 1,-0.3 -1,-0.2 0.729 107.5 53.3 -72.5 -20.9 54.1 5.4 -1.2 252 256 A A T 3< S+ 0 0 31 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.525 105.4 54.4 -88.9 -8.0 55.4 2.1 -2.7 253 257 A Q T <4 S+ 0 0 68 -3,-0.8 -2,-0.2 -4,-0.3 -1,-0.2 0.561 117.1 37.2 -97.6 -13.1 51.8 0.9 -2.9 254 258 A H X + 0 0 50 -4,-0.6 4,-2.1 1,-0.1 -1,-0.2 -0.678 61.9 172.7-139.1 80.1 50.8 3.9 -4.9 255 259 A P H > S+ 0 0 93 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.764 78.9 67.9 -60.3 -23.5 53.5 4.9 -7.3 256 260 A D H >> S+ 0 0 108 2,-0.2 4,-1.7 1,-0.2 3,-1.2 0.993 105.6 36.5 -58.2 -63.9 51.0 7.4 -8.7 257 261 A Q H 3> S+ 0 0 18 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.892 109.6 63.5 -56.4 -43.2 51.0 9.6 -5.6 258 262 A L H 3X S+ 0 0 21 -4,-2.1 4,-2.1 -7,-0.4 -1,-0.3 0.829 105.8 48.6 -52.0 -30.9 54.7 9.0 -5.0 259 263 A A H < S+ 0 0 2 -4,-2.2 3,-0.9 -5,-0.2 -1,-0.3 0.872 112.1 47.1 -88.1 -43.1 54.8 14.0 -4.2 262 266 A K H 3< S+ 0 0 66 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.848 113.9 53.1 -64.0 -30.2 58.3 13.7 -5.7 263 267 A A T 3< S+ 0 0 85 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.596 127.4 16.6 -78.7 -14.6 57.0 16.2 -8.2 264 268 A N X - 0 0 67 -3,-0.9 3,-1.5 -5,-0.3 -1,-0.3 -0.542 56.6-176.7-162.5 89.1 55.9 18.6 -5.5 265 269 A P G > S+ 0 0 42 0, 0.0 3,-3.7 0, 0.0 -3,-0.1 0.838 81.2 79.2 -56.1 -32.0 57.2 18.3 -1.9 266 270 A S G 3 S+ 0 0 93 1,-0.3 4,-0.2 2,-0.1 -5,-0.1 0.438 84.4 65.3 -58.1 4.9 54.9 21.2 -1.0 267 271 A L G <> S+ 0 0 23 -3,-1.5 4,-1.6 -6,-0.2 3,-0.5 0.560 71.5 95.3-101.7 -14.6 52.2 18.5 -1.0 268 272 A A H X> S+ 0 0 0 -3,-3.7 4,-3.1 1,-0.2 3,-1.2 0.905 76.8 61.1 -41.8 -56.3 53.8 16.6 2.0 269 273 A P H 3> S+ 0 0 66 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.894 110.4 37.9 -40.3 -57.4 51.5 18.4 4.4 270 274 A Q H 3> S+ 0 0 67 -3,-0.5 4,-0.8 1,-0.2 -2,-0.2 0.689 114.6 56.4 -72.2 -16.6 48.3 17.0 2.9 271 275 A F H -H 299 0C 3 3,-2.3 3,-2.4 -2,-0.5 2,-0.2 -0.987 62.2 -44.8-126.7 119.4 25.5 6.0 23.1 297 301 A G T 3 S- 0 0 60 -2,-0.5 -256,-0.0 1,-0.3 -2,-0.0 -0.426 123.6 -22.9 61.8-125.0 23.7 5.3 19.9 298 302 A D T 3 S+ 0 0 119 -2,-0.2 2,-0.3 -271,-0.1 -1,-0.3 0.206 123.1 89.0-102.5 14.0 21.1 2.6 20.7 299 303 A K E < -H 296 0C 44 -3,-2.4 -3,-2.3 -271,-0.0 2,-0.6 -0.833 66.2-139.9-117.7 152.5 22.9 1.4 23.7 300 304 A L E -H 295 0C 55 -2,-0.3 2,-0.8 -5,-0.2 -5,-0.2 -0.924 13.3-158.6-111.1 110.7 22.9 2.2 27.4 301 305 A V E -H 294 0C 0 -7,-3.2 -7,-3.0 -2,-0.6 2,-0.1 -0.809 18.1-145.1 -89.9 110.3 26.4 2.2 29.0 302 306 A R > - 0 0 140 -2,-0.8 3,-1.0 -9,-0.3 -12,-0.3 -0.419 35.2 -74.0 -75.4 151.3 25.8 1.8 32.8 303 307 A A T 3 S+ 0 0 38 1,-0.2 -12,-0.2 -2,-0.1 -1,-0.2 -0.066 117.3 16.7 -46.5 138.4 28.1 3.5 35.3 304 308 A N T 3 S+ 0 0 81 -14,-3.8 2,-0.4 1,-0.3 -1,-0.2 0.737 91.1 130.2 67.1 27.1 31.6 1.9 35.7 305 309 A E < - 0 0 56 -3,-1.0 -15,-2.4 -13,-0.1 -1,-0.3 -0.842 59.6-112.6-104.8 146.0 31.3 -0.0 32.4 306 310 A G E -cE 38 289A 2 -269,-0.6 -267,-3.0 -2,-0.4 2,-0.4 -0.514 27.2-162.4 -85.0 150.3 34.3 0.3 30.0 307 311 A I E -cE 39 288A 0 -19,-3.6 -19,-2.6 -269,-0.2 2,-0.5 -0.994 8.9-170.0-134.1 135.1 34.3 2.0 26.6 308 312 A I E -cE 40 287A 0 -269,-3.6 -267,-2.6 -2,-0.4 2,-0.7 -0.978 7.4-164.2-124.9 116.0 36.7 1.8 23.7 309 313 A A E -c 41 0A 0 -23,-3.0 2,-0.7 -2,-0.5 -23,-0.4 -0.894 15.1-142.7-102.8 111.1 36.2 4.3 20.8 310 314 A S > - 0 0 0 -269,-2.3 4,-1.9 -2,-0.7 -26,-0.1 -0.630 20.1-179.1 -78.2 112.4 38.1 3.2 17.7 311 315 A N H > S+ 0 0 4 -2,-0.7 4,-1.2 -28,-0.3 28,-0.4 0.654 85.0 63.1 -81.8 -15.4 39.5 6.3 15.9 312 316 A Q H 4 S+ 0 0 20 -29,-0.3 -1,-0.2 2,-0.2 -32,-0.1 0.884 107.8 40.7 -72.7 -40.9 40.8 3.8 13.3 313 317 A S H >4 S+ 0 0 1 1,-0.2 3,-2.7 2,-0.2 -2,-0.2 0.948 113.2 53.7 -70.6 -49.6 37.2 2.9 12.4 314 318 A A H >< S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.3 -270,-0.2 0.792 102.1 59.9 -54.5 -30.6 36.0 6.5 12.7 315 319 A N T 3< S+ 0 0 0 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.508 109.0 44.0 -77.6 -3.4 38.8 7.4 10.2 316 320 A R T < S+ 0 0 9 -3,-2.7 2,-0.7 9,-0.1 -1,-0.2 0.108 78.4 135.7-123.1 15.4 37.2 5.0 7.7 317 321 A D X> - 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