==== 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 OXIDOREDUCTASE 23-MAY-00 1F24 . COMPND 2 MOLECULE: NITRIC OXIDE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR H.SHIMIZU,S.-Y.PARK . 399 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 7.3 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 . 47 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 39.1 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 0 1 0 2 3 0 2 1 0 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 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 76 0, 0.0 29,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 127.7 32.1 -10.9 22.1 2 6 A P - 0 0 69 0, 0.0 29,-3.1 0, 0.0 2,-0.2 -0.337 360.0 -97.2 -77.6 154.5 35.3 -11.1 20.0 3 7 A S B -a 31 0A 85 27,-0.2 29,-0.2 -2,-0.1 30,-0.0 -0.478 49.3-123.3 -67.0 135.0 38.8 -10.8 21.4 4 8 A F S S+ 0 0 9 27,-2.5 29,-0.3 -2,-0.2 2,-0.2 -0.977 83.6 58.1-130.0 143.9 40.3 -7.4 21.2 5 9 A P S S- 0 0 41 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.402 82.7-143.4 -64.4 149.5 42.8 -6.0 20.1 6 10 A F - 0 0 14 -2,-0.2 2,-0.3 1,-0.1 -2,-0.1 -0.474 14.4-112.3 -78.3 156.7 42.0 -7.2 16.6 7 11 A S - 0 0 60 -2,-0.2 9,-0.5 1,-0.1 380,-0.3 -0.736 34.7-102.3 -94.0 139.9 44.9 -8.3 14.2 8 12 A R - 0 0 9 378,-3.7 -1,-0.1 -2,-0.3 3,-0.1 -0.147 26.2-123.6 -54.1 149.2 45.6 -6.2 11.2 9 13 A A S S- 0 0 55 5,-1.1 2,-0.3 4,-0.3 -1,-0.1 0.892 86.3 -25.9 -66.2 -31.0 44.3 -7.8 8.0 10 14 A S B > S-F 13 0B 36 3,-0.5 3,-1.2 376,-0.1 -1,-0.2 -0.888 92.0 -60.7-164.2-179.7 47.8 -7.7 6.6 11 15 A G T 3 S+ 0 0 13 -2,-0.3 380,-0.4 1,-0.3 373,-0.2 0.837 130.9 19.8 -40.6 -61.1 51.1 -5.8 7.0 12 16 A P T 3 S+ 0 0 31 0, 0.0 -1,-0.3 0, 0.0 378,-0.0 0.365 108.4 92.3 -95.8 6.9 49.9 -2.4 6.1 13 17 A E B < S-F 10 0B 98 -3,-1.2 -3,-0.5 1,-0.1 -4,-0.3 -0.721 72.4-114.0-110.8 149.3 46.1 -2.7 6.5 14 18 A P - 0 0 20 0, 0.0 -5,-1.1 0, 0.0 -1,-0.1 -0.263 54.6 -76.3 -65.9 162.0 43.7 -2.1 9.5 15 19 A P > - 0 0 7 0, 0.0 3,-0.9 0, 0.0 4,-0.5 -0.345 40.3-129.1 -56.0 142.7 41.9 -5.0 11.1 16 20 A A T 3> S+ 0 0 58 -9,-0.5 4,-1.0 1,-0.2 3,-0.3 0.735 97.7 73.7 -67.9 -20.3 39.0 -6.2 8.9 17 21 A E H 3> S+ 0 0 74 -10,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.858 83.0 66.7 -64.7 -33.5 36.5 -6.1 11.7 18 22 A F H <> S+ 0 0 7 -3,-0.9 4,-2.9 1,-0.2 -1,-0.2 0.908 97.4 50.7 -63.9 -42.5 36.2 -2.3 11.8 19 23 A A H > S+ 0 0 38 -4,-0.5 4,-1.6 -3,-0.3 -1,-0.2 0.893 112.0 48.3 -60.7 -40.3 34.6 -1.8 8.5 20 24 A K H X S+ 0 0 142 -4,-1.0 4,-1.9 2,-0.2 5,-0.4 0.898 112.6 48.6 -66.6 -41.8 32.0 -4.4 9.3 21 25 A L H X S+ 0 0 26 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.902 107.0 55.6 -66.3 -40.0 31.3 -2.8 12.7 22 26 A R H < S+ 0 0 19 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.901 115.4 39.3 -59.7 -38.7 31.0 0.6 11.2 23 27 A A H < S+ 0 0 72 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.791 135.3 12.7 -78.6 -29.6 28.3 -0.7 8.8 24 28 A T H < S+ 0 0 110 -4,-1.9 -3,-0.2 -5,-0.1 -2,-0.2 0.592 136.1 14.5-128.0 -20.5 26.4 -3.0 11.1 25 29 A N < + 0 0 61 -4,-2.4 -3,-0.1 -5,-0.4 -2,-0.1 -0.366 58.9 171.3-160.9 65.0 27.3 -2.6 14.8 26 30 A P S S+ 0 0 38 0, 0.0 16,-1.6 0, 0.0 2,-0.5 0.674 75.7 39.9 -65.0 -21.8 29.2 0.6 15.4 27 31 A V E S+ B 0 41A 1 14,-0.2 2,-0.3 -6,-0.1 14,-0.2 -0.961 83.6 144.6-125.7 111.2 29.2 0.5 19.2 28 32 A S E - B 0 40A 8 12,-2.0 12,-3.6 -2,-0.5 2,-0.3 -0.921 47.3 -98.6-146.8 164.2 29.7 -3.1 20.4 29 33 A Q E - B 0 39A 71 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.699 32.6-173.6 -93.6 140.2 31.3 -5.1 23.2 30 34 A V E - B 0 38A 0 8,-2.9 8,-2.1 -2,-0.3 2,-0.5 -0.890 23.9-118.2-123.2 160.1 34.6 -6.8 22.8 31 35 A K E -aB 3 37A 89 -29,-3.1 -27,-2.5 -2,-0.3 6,-0.2 -0.875 24.8-146.7-104.7 130.1 36.4 -9.2 25.2 32 36 A L > - 0 0 4 4,-3.1 3,-2.6 -2,-0.5 36,-0.1 -0.348 35.5 -92.3 -88.7 172.7 39.8 -8.3 26.6 33 37 A F T 3 S+ 0 0 99 -29,-0.3 35,-0.1 1,-0.3 -1,-0.1 0.750 125.5 52.0 -58.4 -27.3 42.6 -10.6 27.4 34 38 A D T 3 S- 0 0 64 33,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.388 120.3-104.2 -93.1 5.6 41.4 -11.0 31.0 35 39 A G S < S+ 0 0 47 -3,-2.6 -2,-0.1 1,-0.3 2,-0.1 0.249 82.1 128.0 88.5 -6.2 37.9 -12.0 30.0 36 40 A S - 0 0 47 1,-0.1 -4,-3.1 -5,-0.1 -1,-0.3 -0.301 54.5-123.0 -75.9 162.7 36.5 -8.5 31.0 37 41 A L E -B 31 0A 78 -6,-0.2 269,-0.5 -3,-0.1 2,-0.3 -0.718 25.0-177.4-108.7 160.5 34.4 -6.6 28.5 38 42 A A E -Bc 30 306A 1 -8,-2.1 -8,-2.9 -2,-0.3 2,-0.5 -0.992 30.2-111.2-148.4 154.3 34.7 -3.2 26.9 39 43 A W E -Bc 29 307A 23 267,-3.2 269,-3.2 -2,-0.3 2,-0.5 -0.748 28.0-152.2 -85.5 132.5 32.7 -1.1 24.5 40 44 A L E -Bc 28 308A 0 -12,-3.6 -12,-2.0 -2,-0.5 2,-0.4 -0.928 7.2-163.8-106.9 120.8 34.3 -0.6 21.1 41 45 A V E +Bc 27 309A 0 267,-2.7 269,-2.6 -2,-0.5 -14,-0.2 -0.905 15.3 168.1-109.5 131.7 33.4 2.6 19.3 42 46 A T + 0 0 0 -16,-1.6 2,-0.3 -2,-0.4 -20,-0.1 0.556 42.6 89.9-126.1 -16.9 34.2 2.7 15.6 43 47 A K S > S- 0 0 19 -17,-0.4 4,-2.6 1,-0.1 3,-0.3 -0.681 74.5-124.3 -91.4 142.8 32.5 5.7 13.9 44 48 A H H > S+ 0 0 7 -2,-0.3 4,-2.3 270,-0.3 5,-0.2 0.887 109.7 50.2 -50.3 -48.2 34.3 9.1 13.7 45 49 A K H > S+ 0 0 122 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.888 113.0 46.6 -62.4 -38.0 31.5 11.0 15.4 46 50 A D H > S+ 0 0 19 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.860 109.1 53.9 -75.6 -31.9 31.4 8.5 18.3 47 51 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.916 109.2 49.5 -64.1 -41.4 35.2 8.5 18.7 48 52 A C H X S+ 0 0 19 -4,-2.3 4,-1.2 -5,-0.2 -2,-0.2 0.906 109.9 51.7 -61.7 -41.8 35.1 12.3 19.0 49 53 A F H X S+ 0 0 83 -4,-1.9 4,-2.0 1,-0.2 3,-0.5 0.921 110.9 46.9 -59.0 -49.2 32.3 12.0 21.6 50 54 A V H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.927 110.1 54.2 -60.2 -43.8 34.3 9.5 23.6 51 55 A A H < S+ 0 0 7 -4,-2.6 295,-0.4 1,-0.2 294,-0.3 0.764 120.2 30.1 -58.5 -29.2 37.4 11.7 23.4 52 56 A T H < S+ 0 0 75 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.589 84.0 119.3-110.9 -14.5 35.7 14.8 24.7 53 57 A S >< - 0 0 18 -4,-2.0 3,-1.4 1,-0.2 -4,-0.0 -0.373 50.1-153.3 -68.2 131.6 32.9 13.6 27.1 54 58 A E T 3 S+ 0 0 173 1,-0.3 -1,-0.2 -2,-0.2 -4,-0.0 0.564 92.1 69.7 -77.7 -10.3 33.4 14.8 30.7 55 59 A K T 3 S+ 0 0 93 236,-0.1 236,-3.2 235,-0.0 237,-0.8 0.465 91.1 77.7 -76.6 -6.7 31.4 11.8 31.9 56 60 A L E < -D 290 0A 7 -3,-1.4 2,-0.3 234,-0.2 234,-0.2 -0.864 67.5-153.5-117.4 147.1 34.4 9.6 30.9 57 61 A S E -D 289 0A 0 232,-2.8 232,-1.9 -2,-0.3 29,-0.1 -0.915 23.8-161.8-126.1 144.6 37.7 9.1 32.7 58 62 A K + 0 0 17 -2,-0.3 2,-0.4 230,-0.2 -1,-0.1 0.389 56.3 123.3 -95.6 -1.3 41.3 8.2 31.9 59 63 A V > - 0 0 41 1,-0.2 3,-1.3 230,-0.1 26,-0.1 -0.438 50.1-157.6 -70.1 120.5 42.1 7.3 35.6 60 64 A R T 3 S+ 0 0 56 -2,-0.4 -1,-0.2 24,-0.3 5,-0.1 0.546 83.6 69.6 -85.2 -3.6 43.3 3.7 35.5 61 65 A T T 3 S+ 0 0 114 2,-0.1 2,-0.4 3,-0.1 -1,-0.3 0.396 77.2 101.4 -87.5 -0.7 42.5 2.9 39.1 62 66 A R S X S- 0 0 94 -3,-1.3 3,-1.5 1,-0.1 2,-0.1 -0.677 84.3-113.1 -78.8 135.2 38.8 3.0 38.2 63 67 A Q T 3 S+ 0 0 174 -2,-0.4 -2,-0.1 1,-0.2 -1,-0.1 -0.422 101.3 41.3 -72.6 152.4 37.4 -0.4 37.9 64 68 A G T 3 S+ 0 0 29 1,-0.3 -1,-0.2 -2,-0.1 224,-0.1 0.292 76.2 152.0 93.4 -1.5 36.4 -1.3 34.4 65 69 A F < - 0 0 22 -3,-1.5 2,-2.0 -5,-0.1 -1,-0.3 -0.366 51.5-121.9 -61.3 130.1 39.4 0.3 32.9 66 70 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.477 36.4 177.3 -82.7 80.8 40.2 -1.4 29.6 67 71 A E - 0 0 11 -2,-2.0 -33,-0.3 1,-0.1 -34,-0.2 -0.639 13.7-160.4 -74.8 133.9 43.7 -2.7 30.1 68 72 A L + 0 0 24 -2,-0.3 2,-0.3 -36,-0.1 -35,-0.2 0.489 65.1 26.4-103.0 -8.1 44.6 -4.7 27.0 69 73 A S S >> S- 0 0 53 1,-0.1 4,-1.2 -37,-0.1 3,-0.5 -0.975 83.0-105.9-148.4 159.4 47.5 -6.8 28.1 70 74 A A H 3> S+ 0 0 54 -2,-0.3 4,-1.1 1,-0.2 3,-0.2 0.872 119.5 55.4 -55.6 -37.8 48.8 -8.2 31.4 71 75 A S H 3> S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.869 98.1 62.6 -66.7 -33.1 51.6 -5.6 31.5 72 76 A G H <> S+ 0 0 12 -3,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.901 101.2 52.1 -57.9 -43.1 49.1 -2.7 31.2 73 77 A K H < S+ 0 0 103 -4,-1.2 4,-0.3 1,-0.2 -1,-0.2 0.869 107.3 53.8 -62.0 -35.9 47.5 -3.7 34.5 74 78 A Q H >< S+ 0 0 134 -4,-1.1 3,-1.5 1,-0.2 4,-0.3 0.938 108.2 48.3 -54.7 -56.5 51.0 -3.7 36.1 75 79 A A H >< S+ 0 0 53 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.776 95.4 73.6 -62.1 -28.9 51.7 -0.1 34.9 76 80 A A T 3< S+ 0 0 17 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.695 87.0 64.9 -64.6 -13.9 48.3 1.2 36.2 77 81 A K T < S+ 0 0 186 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.752 83.2 92.9 -84.2 -19.5 49.6 0.9 39.8 78 82 A A S < S- 0 0 67 -3,-1.3 -3,-0.0 -4,-0.3 0, 0.0 -0.235 96.3 -83.5 -70.9 159.9 52.3 3.6 39.4 79 83 A K - 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0 0 16 -4,-2.9 -2,-0.1 -5,-0.3 -1,-0.1 -0.078 43.7-100.4 75.0-172.6 76.4 4.8 1.3 129 133 A C > + 0 0 28 270,-0.2 3,-1.5 -4,-0.1 -1,-0.2 0.032 69.5 127.9-139.1 24.6 75.1 1.5 -0.2 130 134 A A T 3 S+ 0 0 101 1,-0.3 -2,-0.1 -3,-0.2 -1,-0.0 0.761 82.4 39.2 -54.8 -29.9 78.0 0.4 -2.5 131 135 A N T 3 S- 0 0 172 1,-0.4 -1,-0.3 -3,-0.0 -3,-0.0 0.408 132.0 -56.9-102.8 2.0 78.0 -3.1 -1.0 132 136 A G S < S- 0 0 29 -3,-1.5 -1,-0.4 265,-0.0 265,-0.1 -0.809 77.6 -35.2 140.2 166.5 74.3 -3.5 -0.7 133 137 A P - 0 0 70 0, 0.0 2,-0.3 0, 0.0 265,-0.2 -0.102 47.8-144.9 -61.5 157.2 71.2 -2.0 0.8 134 138 A V E -G 397 0C 17 263,-2.2 263,-2.9 261,-0.1 2,-0.8 -0.780 26.0-100.6-117.7 163.7 71.0 -0.3 4.2 135 139 A D E > -G 396 0C 44 -2,-0.3 4,-2.7 261,-0.2 5,-0.2 -0.783 23.4-160.6 -88.9 107.9 68.2 -0.2 6.8 136 140 A L H >>S+ 0 0 0 259,-2.8 5,-2.5 -2,-0.8 4,-1.3 0.773 90.2 56.1 -58.2 -30.0 66.2 3.0 6.5 137 141 A V H >4>S+ 0 0 13 3,-0.2 5,-2.8 4,-0.2 3,-0.6 0.993 112.8 37.6 -66.7 -62.1 64.9 2.5 10.0 138 142 A K H 345S+ 0 0 126 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.897 123.1 42.6 -55.3 -41.3 68.2 2.2 11.7 139 143 A E H 3<5S- 0 0 50 -4,-2.7 -1,-0.2 3,-0.1 -2,-0.2 0.663 138.2 -11.6 -84.4 -13.2 69.9 4.8 9.6 140 144 A F T S+ 0 0 6 0, 0.0 4,-2.9 0, 0.0 5,-0.4 0.807 102.8 67.9 -64.3 -31.4 67.4 8.6 14.7 144 148 A V H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 5,-0.1 0.977 111.9 28.1 -56.6 -61.1 65.3 11.5 13.4 145 149 A P H > S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.890 122.5 54.4 -67.1 -35.1 62.6 11.6 16.1 146 150 A S H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 5,-0.3 0.937 108.5 45.9 -63.3 -50.7 65.0 10.2 18.7 147 151 A Y H X S+ 0 0 42 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.897 114.2 50.7 -58.5 -40.5 67.7 12.8 18.3 148 152 A I H X S+ 0 0 1 -4,-1.7 4,-2.5 -5,-0.4 -2,-0.2 0.962 114.0 40.4 -66.9 -52.8 65.0 15.6 18.3 149 153 A I H X S+ 0 0 12 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.921 116.6 50.1 -68.5 -37.0 63.2 14.6 21.4 150 154 A Y H X>S+ 0 0 3 -4,-2.5 5,-2.6 -5,-0.3 4,-1.8 0.924 112.5 47.5 -61.1 -42.0 66.3 13.8 23.3 151 155 A T H <5S+ 0 0 52 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.924 112.3 49.6 -66.2 -41.1 67.9 17.1 22.4 152 156 A L H <5S+ 0 0 21 -4,-2.5 54,-2.5 1,-0.2 55,-0.2 0.903 109.4 51.9 -61.4 -39.0 64.7 19.0 23.4 153 157 A L H <5S- 0 0 0 -4,-2.5 54,-2.0 52,-0.2 55,-0.3 0.855 127.7 -99.2 -66.9 -34.3 64.7 17.2 26.7 154 158 A G T <5 + 0 0 6 -4,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.459 67.1 150.2 127.3 10.8 68.3 18.2 27.3 155 159 A V < - 0 0 5 -5,-2.6 -1,-0.2 -6,-0.2 5,-0.1 -0.512 48.4-117.1 -68.8 132.8 70.5 15.2 26.3 156 160 A P > - 0 0 53 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.371 23.7-111.0 -73.7 151.0 73.9 16.3 25.1 157 161 A F G > S+ 0 0 164 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.838 112.2 61.5 -46.8 -44.2 74.9 15.4 21.5 158 162 A N G 3 S+ 0 0 145 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.785 104.7 48.7 -61.1 -25.6 77.5 12.9 22.4 159 163 A D G <> S+ 0 0 60 -3,-1.7 4,-2.0 1,-0.2 -1,-0.3 0.496 85.2 91.7 -93.5 -3.4 75.0 10.6 24.2 160 164 A L H <> S+ 0 0 7 -3,-1.5 4,-2.2 -4,-0.5 5,-0.2 0.899 82.0 51.7 -62.9 -44.0 72.3 10.5 21.5 161 165 A E H > S+ 0 0 150 -4,-0.4 4,-2.1 -3,-0.2 -1,-0.2 0.935 113.0 42.7 -61.5 -48.2 73.5 7.4 19.6 162 166 A Y H > S+ 0 0 112 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.938 116.9 47.4 -65.4 -43.1 73.7 5.2 22.6 163 167 A L H X S+ 0 0 5 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.817 108.7 55.1 -71.7 -25.2 70.4 6.4 24.1 164 168 A T H X S+ 0 0 7 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.923 109.5 47.2 -68.9 -44.4 68.7 6.1 20.8 165 169 A Q H X S+ 0 0 104 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.934 112.9 48.5 -60.6 -44.9 69.7 2.4 20.6 166 170 A Q H X S+ 0 0 20 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.909 108.9 51.9 -67.6 -38.2 68.6 1.8 24.2 167 171 A N H X S+ 0 0 6 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.895 109.1 52.2 -64.9 -35.1 65.2 3.4 23.7 168 172 A A H >X S+ 0 0 11 -4,-1.9 4,-1.7 1,-0.2 3,-1.2 0.897 103.6 57.1 -62.3 -40.5 64.7 1.2 20.6 169 173 A I H 3< S+ 0 0 38 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.853 96.0 66.3 -60.5 -34.0 65.5 -1.9 22.7 170 174 A R H 3< S+ 0 0 62 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.817 117.9 21.5 -51.1 -40.8 62.7 -1.0 25.0 171 175 A T H << S+ 0 0 52 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.429 87.7 124.4-116.9 -2.1 60.1 -1.6 22.3 172 176 A N >< - 0 0 68 -4,-1.7 3,-1.9 1,-0.2 8,-0.1 -0.408 59.6-138.8 -62.3 127.7 61.8 -3.8 19.8 173 177 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.2 -2,-0.2 -4,-0.0 0.752 102.6 58.5 -55.7 -25.6 59.7 -7.0 19.3 174 178 A S T 3 S+ 0 0 104 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.530 82.3 104.0 -80.4 -16.9 63.0 -9.0 19.3 175 179 A S S < S- 0 0 23 -3,-1.9 2,-0.1 -6,-0.2 -5,-0.0 -0.437 73.9-123.7 -66.8 140.6 64.0 -7.8 22.8 176 180 A T > - 0 0 75 1,-0.1 4,-2.4 -2,-0.1 5,-0.3 -0.419 29.0-106.3 -72.9 165.6 63.6 -10.2 25.5 177 181 A A H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.940 123.5 51.7 -58.7 -39.5 61.5 -9.1 28.5 178 182 A R H > S+ 0 0 217 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.933 109.8 47.4 -57.6 -45.9 64.7 -8.7 30.5 179 183 A E H > S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 113.2 49.0 -65.1 -47.0 66.4 -6.6 27.8 180 184 A A H X S+ 0 0 23 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.916 113.2 46.2 -63.9 -43.6 63.4 -4.3 27.4 181 185 A S H X S+ 0 0 75 -4,-2.5 4,-2.7 -5,-0.3 5,-0.3 0.894 111.9 50.3 -66.6 -40.8 63.1 -3.8 31.2 182 186 A A H X S+ 0 0 59 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.910 111.4 48.7 -63.6 -41.2 66.8 -3.2 31.6 183 187 A A H X S+ 0 0 2 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.927 111.3 51.4 -65.4 -43.5 66.8 -0.6 28.8 184 188 A N H X S+ 0 0 38 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.950 112.1 44.4 -53.7 -53.5 63.7 1.0 30.4 185 189 A Q H X S+ 0 0 96 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.867 110.6 56.8 -67.4 -30.2 65.3 1.3 33.8 186 190 A E H X S+ 0 0 61 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.922 105.2 48.9 -62.9 -47.3 68.5 2.5 32.3 187 191 A L H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.899 111.4 51.2 -59.1 -43.4 66.8 5.4 30.5 188 192 A L H X S+ 0 0 18 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.882 109.8 49.4 -61.1 -38.7 65.1 6.3 33.8 189 193 A D H X S+ 0 0 90 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.918 111.4 49.2 -69.3 -41.8 68.5 6.3 35.6 190 194 A Y H X S+ 0 0 54 -4,-2.4 4,-2.2 2,-0.2 3,-0.3 0.920 110.8 49.8 -56.2 -54.1 70.0 8.5 32.9 191 195 A L H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.894 105.5 57.8 -59.8 -35.9 67.1 10.9 33.2 192 196 A A H X S+ 0 0 37 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.879 106.9 48.1 -63.5 -35.4 67.5 11.1 37.0 193 197 A I H X S+ 0 0 95 -4,-1.4 4,-2.6 -3,-0.3 -1,-0.2 0.892 109.9 52.0 -67.3 -43.1 71.1 12.2 36.6 194 198 A L H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.920 107.8 51.9 -62.8 -39.0 70.1 14.8 34.1 195 199 A V H X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.928 109.9 49.5 -61.0 -43.1 67.5 16.1 36.5 196 200 A E H X S+ 0 0 87 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.926 113.3 47.1 -61.2 -41.6 70.2 16.3 39.3 197 201 A Q H X S+ 0 0 103 -4,-2.6 4,-2.5 1,-0.2 3,-0.3 0.899 112.0 47.5 -67.8 -43.2 72.5 18.2 36.9 198 202 A R H < S+ 0 0 17 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.728 104.6 60.9 -75.7 -20.5 70.0 20.7 35.6 199 203 A L H < S+ 0 0 30 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.836 113.5 37.7 -68.6 -33.7 68.8 21.4 39.2 200 204 A V H < S+ 0 0 124 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.1 0.857 138.8 11.9 -80.5 -43.5 72.3 22.6 39.9 201 205 A E S < S- 0 0 127 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 -0.751 79.5-153.4-141.1 90.6 73.0 24.3 36.6 202 206 A P - 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0 0 84 -2,-0.3 4,-1.8 -3,-0.1 3,-0.4 -0.576 34.9 -96.2-102.2 176.8 59.5 16.6 43.1 222 226 A K H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.864 123.8 54.9 -56.8 -41.4 62.5 15.3 41.2 223 227 A S H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.884 106.4 52.4 -60.4 -40.0 61.0 11.9 40.6 224 228 A D H > S+ 0 0 25 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.888 107.0 52.4 -59.7 -44.2 58.0 13.6 39.0 225 229 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.925 109.2 50.1 -61.4 -44.1 60.3 15.5 36.6 226 230 A V H X S+ 0 0 11 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.924 111.8 48.0 -57.2 -47.5 62.0 12.2 35.6 227 231 A Q H X S+ 0 0 75 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.851 112.3 47.9 -67.1 -35.1 58.6 10.6 34.9 228 232 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.946 113.2 47.5 -71.0 -47.4 57.3 13.6 32.9 229 233 A A H X S+ 0 0 0 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.927 112.8 51.1 -54.2 -42.7 60.5 13.7 30.8 230 234 A F H X S+ 0 0 18 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.918 106.5 53.0 -63.5 -45.3 60.2 9.9 30.4 231 235 A L H X S+ 0 0 23 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.921 108.2 51.4 -54.9 -46.3 56.6 10.2 29.2 232 236 A L H X S+ 0 0 17 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.864 112.7 46.5 -64.5 -33.6 57.6 12.7 26.6 233 237 A L H X S+ 0 0 1 -4,-1.8 4,-0.7 -5,-0.2 -2,-0.2 0.952 122.4 31.1 -68.2 -52.4 60.4 10.4 25.3 234 238 A V H < S+ 0 0 30 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.684 101.9 75.4 -88.5 -16.6 58.5 7.2 25.1 235 239 A A H < S+ 0 0 72 -4,-2.6 -1,-0.2 -5,-0.3 4,-0.2 0.897 115.6 9.2 -63.3 -42.7 55.0 8.3 24.3 236 240 A G H X S+ 0 0 33 -4,-0.5 4,-2.3 -5,-0.2 5,-0.2 0.470 99.4 92.1-117.5 -5.3 55.6 9.1 20.6 237 241 A N H X S+ 0 0 7 -4,-0.7 4,-2.2 1,-0.2 5,-0.2 0.940 90.6 45.5 -68.1 -45.3 59.0 8.0 19.5 238 242 A A H > S+ 0 0 40 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.887 112.4 54.7 -65.7 -33.6 58.0 4.5 18.2 239 243 A A H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.907 108.3 47.8 -61.9 -43.3 55.0 6.1 16.4 240 244 A M H X S+ 0 0 15 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.907 110.5 50.6 -62.5 -45.0 57.3 8.6 14.6 241 245 A V H X S+ 0 0 12 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.948 113.2 47.0 -60.6 -44.7 59.7 6.0 13.5 242 246 A N H X S+ 0 0 26 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.873 109.3 53.5 -64.9 -38.5 56.9 3.9 12.2 243 247 A M H X S+ 0 0 13 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.905 109.5 48.3 -66.2 -39.2 55.3 6.8 10.4 244 248 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.963 115.1 44.3 -61.8 -49.6 58.5 7.6 8.6 245 249 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.933 113.9 50.1 -62.8 -44.8 59.0 4.0 7.5 246 250 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.869 107.3 55.1 -60.4 -37.0 55.3 3.6 6.5 247 251 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.929 108.4 47.5 -61.7 -41.4 55.5 6.8 4.5 248 252 A V H X S+ 0 0 3 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.926 114.6 47.1 -63.7 -44.8 58.4 5.5 2.5 249 253 A A H X S+ 0 0 1 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.885 111.6 50.9 -62.5 -43.1 56.7 2.2 2.0 250 254 A T H X S+ 0 0 5 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.876 108.3 51.7 -65.4 -38.5 53.4 3.9 0.9 251 255 A L H >< S+ 0 0 1 -4,-2.0 3,-0.8 -5,-0.2 7,-0.5 0.921 109.0 50.3 -66.5 -38.6 55.1 6.1 -1.6 252 256 A A H 3< S+ 0 0 32 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.839 108.7 53.4 -65.8 -33.0 56.8 3.0 -3.1 253 257 A Q H 3< S+ 0 0 81 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.667 115.2 40.4 -73.5 -17.7 53.3 1.4 -3.3 254 258 A H S XX S+ 0 0 57 -4,-0.9 4,-1.8 -3,-0.8 3,-1.1 -0.687 70.6 178.4-132.7 70.0 51.9 4.4 -5.2 255 259 A P H 3> S+ 0 0 90 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.771 75.3 58.0 -54.9 -31.5 54.5 5.4 -7.7 256 260 A D H 3> S+ 0 0 106 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.870 107.1 48.9 -69.7 -30.4 52.6 8.3 -9.3 257 261 A Q H <> S+ 0 0 17 -3,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.900 109.3 51.8 -75.2 -35.1 52.2 10.0 -6.0 258 262 A L H X S+ 0 0 23 -4,-1.8 4,-2.9 -7,-0.5 5,-0.3 0.925 108.8 52.2 -59.2 -41.8 55.9 9.6 -5.3 259 263 A A H X S+ 0 0 55 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.909 110.4 47.6 -59.2 -41.5 56.5 11.1 -8.7 260 264 A Q H X S+ 0 0 52 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.914 111.5 50.0 -64.9 -43.4 54.3 14.1 -7.7 261 265 A L H < S+ 0 0 2 -4,-2.5 6,-0.2 1,-0.2 -2,-0.2 0.889 110.7 48.9 -67.1 -40.0 56.0 14.5 -4.4 262 266 A K H < S+ 0 0 76 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.868 112.6 49.3 -65.2 -33.0 59.4 14.5 -6.0 263 267 A A H < S+ 0 0 86 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.751 128.3 21.1 -80.4 -17.9 58.2 17.0 -8.5 264 268 A N >< - 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