==== 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 1F25 . 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) . 18169.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 66.7 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 . 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 . 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 . 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 . 17 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 38.8 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 2 0 2 2 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 . 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 73 0, 0.0 29,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 130.0 32.1 -11.1 21.5 2 6 A P - 0 0 70 0, 0.0 29,-2.9 0, 0.0 2,-0.1 -0.357 360.0 -98.5 -77.2 153.2 35.3 -11.3 19.6 3 7 A S B -a 31 0A 90 27,-0.2 29,-0.2 -2,-0.1 30,-0.0 -0.405 49.4-121.0 -66.1 141.6 38.7 -11.0 21.1 4 8 A F S S+ 0 0 8 27,-2.2 29,-0.3 -2,-0.1 2,-0.2 -0.993 83.9 55.9-135.2 142.1 40.4 -7.6 20.9 5 9 A P S S- 0 0 50 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.356 81.9-144.8 -68.8 150.5 42.8 -6.2 19.8 6 10 A F - 0 0 14 -2,-0.2 2,-0.3 1,-0.1 -2,-0.1 -0.408 14.5-112.3 -78.8 159.7 42.1 -7.5 16.3 7 11 A S - 0 0 61 -2,-0.1 9,-0.4 1,-0.1 10,-0.3 -0.760 35.1-100.3 -97.1 146.0 45.0 -8.4 13.9 8 12 A R - 0 0 10 378,-3.0 3,-0.1 -2,-0.3 -1,-0.1 -0.309 26.2-124.2 -59.1 147.2 45.7 -6.4 10.8 9 13 A A S S- 0 0 56 5,-1.8 2,-0.3 1,-0.2 -1,-0.1 0.828 86.9 -24.8 -65.2 -29.8 44.3 -7.9 7.5 10 14 A S S > S- 0 0 38 3,-0.4 3,-1.8 4,-0.1 -1,-0.2 -0.915 91.2 -62.9-164.9 176.3 47.9 -7.8 6.1 11 15 A G T 3 S+ 0 0 12 1,-0.3 380,-0.3 -2,-0.3 373,-0.2 0.810 130.7 22.0 -31.1 -67.5 51.1 -5.9 6.6 12 16 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.3 0, 0.0 378,-0.0 0.346 109.0 93.2 -92.8 8.0 50.0 -2.4 5.6 13 17 A E S < S- 0 0 95 -3,-1.8 -3,-0.4 1,-0.1 3,-0.1 -0.681 71.4-115.9-108.6 154.1 46.2 -2.8 6.2 14 18 A P - 0 0 21 0, 0.0 -5,-1.8 0, 0.0 -4,-0.1 -0.282 54.7 -75.5 -66.3 165.0 43.9 -2.2 9.1 15 19 A P > - 0 0 9 0, 0.0 3,-0.9 0, 0.0 4,-0.4 -0.425 41.2-130.8 -55.0 138.3 42.0 -5.0 10.8 16 20 A A T 3> S+ 0 0 47 -9,-0.4 4,-0.9 1,-0.2 3,-0.3 0.707 96.9 74.5 -66.6 -21.6 39.2 -6.2 8.5 17 21 A E H 3> S+ 0 0 73 -10,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.840 82.2 66.8 -61.7 -34.5 36.7 -6.1 11.3 18 22 A F H <> S+ 0 0 6 -3,-0.9 4,-2.7 1,-0.2 5,-0.2 0.898 96.5 51.0 -65.4 -41.1 36.4 -2.3 11.5 19 23 A A H > S+ 0 0 41 -4,-0.4 4,-1.5 -3,-0.3 -1,-0.2 0.905 112.4 48.1 -61.4 -39.2 34.7 -1.7 8.1 20 24 A K H X S+ 0 0 142 -4,-0.9 4,-2.0 2,-0.2 5,-0.4 0.899 112.1 49.1 -67.1 -40.5 32.1 -4.4 8.9 21 25 A L H X S+ 0 0 27 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.900 107.6 53.9 -66.1 -40.7 31.4 -2.9 12.3 22 26 A R H < S+ 0 0 18 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.895 114.9 42.8 -60.2 -35.5 31.1 0.6 10.9 23 27 A A H < S+ 0 0 80 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.833 133.8 10.3 -81.0 -33.0 28.5 -0.7 8.5 24 28 A T H < S+ 0 0 112 -4,-2.0 -3,-0.2 -5,-0.1 -2,-0.2 0.561 136.7 15.2-130.4 -13.1 26.4 -3.0 10.8 25 29 A N < + 0 0 61 -4,-2.3 -2,-0.1 -5,-0.4 -3,-0.1 -0.379 59.2 171.6-162.2 69.5 27.3 -2.6 14.4 26 30 A P S S+ 0 0 38 0, 0.0 16,-1.5 0, 0.0 2,-0.5 0.726 76.2 41.0 -66.1 -23.0 29.3 0.6 15.0 27 31 A V E S+ B 0 41A 1 14,-0.2 2,-0.3 15,-0.1 14,-0.2 -0.971 84.3 145.0-123.0 113.6 29.2 0.4 18.9 28 32 A S E - B 0 40A 7 12,-2.0 12,-3.5 -2,-0.5 2,-0.4 -0.914 46.8 -98.8-148.0 164.5 29.7 -3.2 20.0 29 33 A Q E - B 0 39A 66 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.715 31.8-175.0 -95.4 142.9 31.3 -5.3 22.7 30 34 A V E - B 0 38A 0 8,-2.8 8,-2.1 -2,-0.4 2,-0.5 -0.908 24.2-119.4-125.6 158.3 34.6 -7.0 22.4 31 35 A K E -aB 3 37A 78 -29,-2.9 -27,-2.2 -2,-0.3 6,-0.2 -0.880 24.2-146.9-103.5 129.3 36.4 -9.4 24.8 32 36 A L > - 0 0 5 4,-3.0 3,-2.6 -2,-0.5 36,-0.1 -0.344 35.6 -92.3 -89.5 171.5 39.8 -8.5 26.3 33 37 A F T 3 S+ 0 0 100 -29,-0.3 35,-0.1 1,-0.3 -1,-0.1 0.755 125.5 51.7 -57.2 -27.8 42.6 -10.8 27.1 34 38 A D T 3 S- 0 0 68 33,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.400 121.0-103.4 -92.4 5.2 41.4 -11.2 30.7 35 39 A G S < S+ 0 0 44 -3,-2.6 -2,-0.1 1,-0.3 2,-0.0 0.233 80.3 130.7 94.6 -13.4 37.8 -12.1 29.7 36 40 A S - 0 0 47 -5,-0.1 -4,-3.0 1,-0.1 -1,-0.3 -0.248 53.3-124.3 -72.4 161.4 36.4 -8.7 30.5 37 41 A L E -B 31 0A 78 -6,-0.2 269,-0.6 -3,-0.1 2,-0.3 -0.686 25.7-178.2-101.3 155.2 34.2 -6.8 28.0 38 42 A A E -Bc 30 306A 1 -8,-2.1 -8,-2.8 -2,-0.3 2,-0.5 -0.991 29.8-111.4-147.2 158.1 34.7 -3.4 26.6 39 43 A W E -Bc 29 307A 23 267,-2.8 269,-3.3 -2,-0.3 2,-0.5 -0.737 27.1-153.6 -88.2 129.6 32.8 -1.3 24.2 40 44 A L E -Bc 28 308A 0 -12,-3.5 -12,-2.0 -2,-0.5 2,-0.4 -0.932 5.6-161.9-107.0 124.3 34.4 -0.7 20.8 41 45 A V E +Bc 27 309A 0 267,-2.6 269,-2.7 -2,-0.5 -14,-0.2 -0.913 16.0 168.5-111.8 129.0 33.5 2.5 19.0 42 46 A T + 0 0 0 -16,-1.5 2,-0.3 -2,-0.4 -20,-0.1 0.550 44.2 88.6-121.2 -19.5 34.3 2.6 15.2 43 47 A K S > S- 0 0 26 -17,-0.3 4,-2.6 1,-0.1 3,-0.3 -0.693 74.2-126.3 -92.1 143.3 32.6 5.7 13.7 44 48 A H H > S+ 0 0 7 -2,-0.3 4,-2.5 270,-0.3 5,-0.2 0.901 108.7 52.3 -52.8 -47.1 34.4 9.1 13.5 45 49 A K H > S+ 0 0 138 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.901 113.4 44.2 -59.5 -39.4 31.6 11.0 15.2 46 50 A D H > S+ 0 0 19 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.864 109.3 55.3 -77.2 -33.5 31.5 8.5 18.1 47 51 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.926 109.2 48.6 -63.2 -43.2 35.3 8.4 18.5 48 52 A C H X S+ 0 0 18 -4,-2.5 4,-1.2 -5,-0.2 -2,-0.2 0.909 110.1 52.2 -62.9 -38.1 35.3 12.2 18.9 49 53 A F H >X S+ 0 0 81 -4,-1.7 4,-2.0 -5,-0.2 3,-0.6 0.922 111.2 46.2 -60.7 -49.5 32.5 11.9 21.4 50 54 A V H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.924 110.6 54.6 -60.3 -40.8 34.4 9.4 23.5 51 55 A A H 3< S+ 0 0 7 -4,-2.5 295,-0.3 1,-0.2 294,-0.3 0.768 120.3 29.2 -63.8 -27.1 37.6 11.5 23.2 52 56 A T H << S+ 0 0 69 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.557 84.2 117.9-113.0 -14.5 35.8 14.6 24.6 53 57 A S >< - 0 0 16 -4,-2.0 3,-1.4 1,-0.2 -4,-0.0 -0.406 49.9-153.9 -67.4 128.2 33.0 13.4 27.0 54 58 A E T 3 S+ 0 0 103 1,-0.3 -1,-0.2 -2,-0.2 -4,-0.0 0.566 91.9 72.1 -78.6 -4.2 33.6 14.6 30.6 55 59 A K T 3 S+ 0 0 95 236,-0.1 236,-3.0 235,-0.0 237,-0.8 0.470 91.4 76.2 -74.3 -6.2 31.5 11.5 31.7 56 60 A L E < -D 290 0A 3 -3,-1.4 2,-0.3 234,-0.2 234,-0.2 -0.857 67.7-153.5-117.2 148.5 34.5 9.4 30.7 57 61 A S E -D 289 0A 0 232,-2.6 232,-2.0 -2,-0.3 29,-0.1 -0.936 22.8-161.8-126.6 143.6 37.8 8.8 32.5 58 62 A K + 0 0 16 -2,-0.3 2,-0.3 230,-0.2 -1,-0.1 0.390 55.3 124.5 -94.2 -3.5 41.4 7.9 31.6 59 63 A V > - 0 0 41 1,-0.1 3,-1.3 230,-0.1 26,-0.1 -0.437 50.6-155.6 -67.4 123.4 42.3 7.0 35.2 60 64 A R T 3 S+ 0 0 56 24,-0.3 -1,-0.1 -2,-0.3 5,-0.1 0.553 85.0 68.8 -83.1 -5.9 43.6 3.4 35.1 61 65 A T T 3 S+ 0 0 119 2,-0.1 2,-0.5 3,-0.1 -1,-0.3 0.451 76.4 101.9 -89.4 -2.3 42.7 2.6 38.8 62 66 A R S X S- 0 0 92 -3,-1.3 3,-2.0 1,-0.1 2,-0.0 -0.676 83.3-116.5 -78.0 128.6 39.1 2.7 37.9 63 67 A Q T 3 S+ 0 0 174 -2,-0.5 -2,-0.1 1,-0.3 -1,-0.1 -0.366 101.3 41.5 -65.2 145.2 37.7 -0.8 37.5 64 68 A G T 3 S+ 0 0 27 1,-0.4 -1,-0.3 -4,-0.1 224,-0.1 0.235 75.2 145.4 94.5 -7.7 36.5 -1.5 34.0 65 69 A F < - 0 0 22 -3,-2.0 2,-2.0 1,-0.1 -1,-0.4 -0.396 56.5-120.0 -61.4 130.9 39.5 0.3 32.4 66 70 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.466 35.8 179.8 -81.3 80.4 40.2 -1.6 29.3 67 71 A E - 0 0 12 -2,-2.0 -33,-0.3 1,-0.1 -34,-0.2 -0.601 13.7-158.7 -73.0 137.1 43.8 -2.9 29.6 68 72 A L + 0 0 23 -2,-0.3 2,-0.3 -36,-0.1 -35,-0.3 0.539 65.6 22.6-102.4 -8.6 44.6 -4.8 26.5 69 73 A S S > S- 0 0 51 1,-0.1 4,-1.6 -37,-0.1 3,-0.3 -0.957 80.0-104.8-149.5 166.9 47.5 -7.0 27.8 70 74 A A H > S+ 0 0 67 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.895 119.4 55.5 -58.4 -39.7 48.9 -8.4 31.0 71 75 A S H > S+ 0 0 89 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 103.8 53.8 -64.1 -31.8 51.7 -5.8 30.9 72 76 A G H > S+ 0 0 12 -3,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.884 104.7 55.0 -70.4 -37.8 49.2 -2.9 30.7 73 77 A K H < S+ 0 0 97 -4,-1.6 4,-0.2 1,-0.2 -1,-0.2 0.899 110.1 45.7 -63.1 -38.8 47.5 -4.1 33.8 74 78 A Q H >< S+ 0 0 140 -4,-1.8 3,-1.4 1,-0.2 4,-0.3 0.902 108.4 55.7 -72.4 -36.3 50.8 -4.1 35.7 75 79 A A H >< S+ 0 0 54 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.768 94.0 70.7 -64.9 -24.3 51.8 -0.7 34.4 76 80 A A T 3< S+ 0 0 12 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.657 85.2 69.0 -67.2 -14.8 48.5 0.8 35.8 77 81 A K T < S+ 0 0 149 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.705 82.9 94.7 -79.6 -18.9 49.8 0.4 39.3 78 82 A A S < S- 0 0 67 -3,-1.3 -3,-0.0 -4,-0.3 0, 0.0 -0.322 94.9 -85.7 -74.5 158.6 52.4 3.1 38.9 79 83 A K - 0 0 144 1,-0.1 -1,-0.2 -2,-0.0 2,-0.1 -0.378 59.1-121.9 -59.5 124.1 52.1 6.7 39.8 80 84 A P - 0 0 63 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.402 19.7-152.8 -78.2 149.6 50.4 8.2 36.8 81 85 A T > - 0 0 20 -2,-0.1 3,-2.0 146,-0.1 9,-0.1 -0.475 49.5 -76.3 -99.2-178.2 51.7 11.0 34.6 82 86 A F G > S+ 0 0 11 1,-0.3 3,-1.9 2,-0.2 12,-0.1 0.740 121.4 74.0 -65.9 -23.6 49.4 13.3 32.6 83 87 A V G 3 S+ 0 0 48 1,-0.3 -1,-0.3 11,-0.0 7,-0.0 0.835 106.9 36.6 -54.0 -31.4 48.7 10.8 29.9 84 88 A D G < S+ 0 0 27 -3,-2.0 -24,-0.3 2,-0.1 2,-0.3 0.075 100.5 103.4-112.0 23.3 46.4 8.9 32.4 85 89 A M < - 0 0 32 -3,-1.9 -4,-0.0 -26,-0.1 -3,-0.0 -0.747 54.3-148.9-104.6 153.5 45.0 11.9 34.2 86 90 A D >> - 0 0 14 -2,-0.3 4,-2.2 1,-0.1 3,-0.6 -0.668 48.9 -38.2-100.9 168.1 41.6 13.6 34.1 87 91 A P T 34 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.397 120.4 20.8 -63.8 150.7 41.0 17.3 34.7 88 92 A P T 3> S+ 0 0 99 0, 0.0 4,-1.8 0, 0.0 5,-0.1 -0.999 128.5 46.1 -85.0 -7.7 42.1 19.2 36.5 89 93 A E H <> S+ 0 0 106 -3,-0.6 4,-2.0 1,-0.2 5,-0.3 0.872 106.1 63.6 -59.0 -39.4 45.3 17.1 37.1 90 94 A H H X S+ 0 0 2 -4,-2.2 4,-2.8 1,-0.2 3,-0.3 0.950 110.6 32.0 -52.4 -62.6 45.8 16.5 33.4 91 95 A M H > S+ 0 0 74 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.815 110.4 66.8 -74.1 -25.9 46.4 20.1 32.3 92 96 A H H < S+ 0 0 117 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.905 116.6 27.9 -56.1 -41.7 48.0 21.1 35.5 93 97 A Q H >< S+ 0 0 18 -4,-2.0 3,-1.5 -3,-0.3 4,-0.5 0.874 118.9 55.0 -86.9 -43.0 50.9 18.7 34.6 94 98 A R H >X S+ 0 0 17 -4,-2.8 3,-1.9 -5,-0.3 4,-1.6 0.910 101.3 60.6 -58.6 -39.2 50.6 18.8 30.8 95 99 A S T 3< S+ 0 0 64 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 0.719 90.2 71.3 -64.3 -19.0 51.0 22.6 30.8 96 100 A M T <4 S+ 0 0 12 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.779 115.7 20.7 -63.6 -25.9 54.4 22.2 32.5 97 101 A V T X4 S+ 0 0 4 -3,-1.9 3,-0.9 -4,-0.5 4,-0.3 0.479 96.3 93.8-124.6 -5.3 55.8 20.8 29.2 98 102 A E G >< + 0 0 60 -4,-1.6 3,-2.2 1,-0.2 4,-0.5 0.807 67.9 79.2 -61.7 -29.5 53.5 22.0 26.5 99 103 A P G > S+ 0 0 75 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.825 89.8 53.4 -49.6 -36.5 55.5 25.3 25.6 100 104 A T G < S+ 0 0 19 -3,-0.9 -2,-0.1 1,-0.2 -3,-0.0 0.718 111.6 47.7 -69.4 -19.8 58.1 23.4 23.6 101 105 A F G < S+ 0 0 3 -3,-2.2 251,-0.3 -4,-0.3 252,-0.2 0.310 78.9 121.2-107.6 4.8 55.4 21.9 21.4 102 106 A T S <> S- 0 0 52 -3,-0.9 4,-2.8 -4,-0.5 5,-0.3 -0.259 76.7-107.9 -69.3 160.4 53.2 24.8 20.5 103 107 A P H > S+ 0 0 75 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.916 121.6 46.3 -53.0 -43.8 52.6 25.7 16.9 104 108 A E H > S+ 0 0 117 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.920 111.5 50.5 -67.9 -41.1 54.8 28.8 17.2 105 109 A A H > S+ 0 0 25 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.925 111.9 48.7 -62.1 -39.4 57.6 26.9 19.1 106 110 A V H X S+ 0 0 8 -4,-2.8 4,-0.6 1,-0.2 3,-0.2 0.901 107.4 54.3 -69.9 -37.5 57.6 24.2 16.4 107 111 A K H >< S+ 0 0 143 -4,-2.2 3,-1.0 -5,-0.3 -1,-0.2 0.912 109.7 48.6 -59.4 -39.9 57.8 26.8 13.6 108 112 A N H 3< S+ 0 0 114 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.741 107.7 55.7 -75.3 -17.8 60.8 28.3 15.4 109 113 A L H >X S+ 0 0 34 -4,-1.3 4,-2.5 -3,-0.2 3,-0.6 0.535 80.2 97.9 -81.8 -9.0 62.3 24.8 15.7 110 114 A Q H S+ 0 0 82 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.906 112.8 47.6 -59.7 -36.1 65.7 25.1 11.1 112 116 A Y H <> S+ 0 0 44 -3,-0.6 4,-2.5 -4,-0.3 -2,-0.2 0.901 111.5 49.8 -66.6 -43.7 66.9 22.7 13.8 113 117 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.950 112.3 48.7 -60.0 -45.4 64.6 19.9 12.5 114 118 A Q H X S+ 0 0 49 -4,-2.9 4,-3.2 -5,-0.2 -2,-0.2 0.916 110.5 49.9 -60.7 -45.9 65.9 20.5 9.0 115 119 A R H X S+ 0 0 132 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.903 110.0 51.2 -59.4 -42.7 69.5 20.4 10.1 116 120 A T H X S+ 0 0 15 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.921 113.7 43.5 -62.7 -44.5 69.0 17.2 11.9 117 121 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.929 114.5 50.7 -64.9 -47.4 67.4 15.6 8.9 118 122 A D H X S+ 0 0 68 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.906 110.8 48.7 -55.5 -43.9 70.0 17.0 6.5 119 123 A D H X S+ 0 0 97 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.925 111.9 47.5 -68.4 -41.3 72.9 15.7 8.7 120 124 A L H X S+ 0 0 3 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.913 112.8 49.7 -67.4 -36.7 71.5 12.2 9.0 121 125 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.856 111.0 48.8 -66.3 -37.8 70.8 12.1 5.2 122 126 A E H X S+ 0 0 66 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.888 109.9 53.2 -68.9 -38.5 74.4 13.3 4.5 123 127 A Q H X S+ 0 0 94 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.925 109.3 49.1 -51.9 -54.3 75.6 10.6 7.0 124 128 A M H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.933 109.3 51.6 -62.4 -41.4 73.7 8.0 5.0 125 129 A K H < S+ 0 0 112 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.948 109.2 49.9 -61.7 -41.5 75.1 9.2 1.8 126 130 A Q H < S+ 0 0 132 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.867 109.5 51.2 -65.2 -35.7 78.7 9.0 3.2 127 131 A K H < S- 0 0 122 -4,-2.4 3,-0.2 -5,-0.1 -1,-0.2 0.930 99.3-178.8 -58.5 -48.5 77.9 5.5 4.3 128 132 A G < - 0 0 18 -4,-2.7 -2,-0.1 -5,-0.2 -1,-0.1 -0.015 37.6-108.8 73.0-177.0 76.7 4.9 0.8 129 133 A C S > S+ 0 0 29 270,-0.2 3,-1.3 -4,-0.1 -1,-0.2 -0.003 72.0 124.8-141.2 29.9 75.3 1.7 -0.6 130 134 A A T 3 S+ 0 0 102 1,-0.3 -2,-0.1 -3,-0.2 -1,-0.1 0.785 80.8 43.3 -60.4 -29.6 78.1 0.6 -2.8 131 135 A N T 3 S- 0 0 179 1,-0.4 -1,-0.3 -3,-0.0 -2,-0.0 0.314 130.2 -72.5-104.2 9.0 78.3 -2.8 -1.1 132 136 A G S < S- 0 0 26 -3,-1.3 -1,-0.4 265,-0.0 265,-0.1 -0.737 75.8 -18.2 129.5-179.0 74.5 -3.2 -1.0 133 137 A P - 0 0 77 0, 0.0 2,-0.3 0, 0.0 265,-0.2 -0.121 48.0-150.9 -60.2 154.8 71.4 -2.0 0.7 134 138 A V E -F 397 0B 17 263,-2.3 263,-2.8 261,-0.1 2,-0.8 -0.852 26.6-104.9-120.4 160.1 71.2 -0.2 3.9 135 139 A D E > -F 396 0B 44 -2,-0.3 4,-2.7 261,-0.2 5,-0.3 -0.733 21.8-160.4 -86.8 109.3 68.3 -0.2 6.4 136 140 A L H >>S+ 0 0 0 259,-2.6 5,-2.6 -2,-0.8 4,-1.3 0.804 90.7 56.6 -59.3 -27.2 66.5 3.1 6.2 137 141 A V H >4>S+ 0 0 13 3,-0.2 5,-2.8 4,-0.2 3,-0.6 0.992 112.6 37.2 -68.5 -59.6 65.1 2.5 9.7 138 142 A K H 345S+ 0 0 123 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.908 124.5 41.7 -57.6 -40.4 68.4 2.1 11.4 139 143 A E H 3<5S- 0 0 25 -4,-2.7 -1,-0.2 3,-0.1 -2,-0.2 0.659 138.3 -10.1 -83.5 -16.6 70.1 4.8 9.3 140 144 A F T S+ 0 0 6 0, 0.0 4,-2.8 0, 0.0 5,-0.4 0.817 102.5 68.0 -69.4 -26.8 67.6 8.5 14.5 144 148 A V H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 5,-0.1 0.982 112.2 28.7 -56.7 -60.2 65.6 11.5 13.2 145 149 A P H > S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.894 121.9 54.9 -67.6 -35.0 62.9 11.5 15.9 146 150 A S H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 5,-0.3 0.946 109.0 45.0 -60.9 -51.5 65.2 10.1 18.5 147 151 A Y H X S+ 0 0 39 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.900 114.6 50.6 -62.9 -37.7 67.9 12.7 18.2 148 152 A I H X S+ 0 0 0 -4,-1.7 4,-2.5 -5,-0.4 -2,-0.2 0.964 113.8 40.8 -66.4 -54.7 65.3 15.5 18.1 149 153 A I H X S+ 0 0 12 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.910 116.9 49.5 -66.8 -38.5 63.4 14.4 21.3 150 154 A Y H X>S+ 0 0 3 -4,-2.6 5,-2.7 -5,-0.3 4,-1.8 0.914 112.1 48.6 -62.1 -39.1 66.5 13.6 23.2 151 155 A T H <5S+ 0 0 51 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.933 111.4 49.1 -65.7 -43.2 68.1 16.9 22.2 152 156 A L H <5S+ 0 0 22 -4,-2.5 54,-2.7 1,-0.2 55,-0.2 0.889 110.4 51.9 -65.2 -34.2 64.9 18.8 23.3 153 157 A L H <5S- 0 0 0 -4,-2.2 54,-2.1 52,-0.2 55,-0.3 0.866 127.5 -97.1 -69.9 -35.3 64.9 16.9 26.6 154 158 A G T <5 + 0 0 5 -4,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.401 69.1 147.9 133.5 3.7 68.5 17.8 27.3 155 159 A V < - 0 0 5 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.1 -0.488 47.8-120.8 -68.8 133.1 70.7 14.9 26.2 156 160 A P > - 0 0 58 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.418 24.5-107.3 -76.1 154.1 74.2 16.1 24.9 157 161 A F G > S+ 0 0 167 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.830 113.8 59.4 -50.0 -44.5 75.2 15.2 21.3 158 162 A N G 3 S+ 0 0 138 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.696 105.9 49.3 -64.8 -18.2 77.8 12.5 22.2 159 163 A D G <> S+ 0 0 59 -3,-2.0 4,-2.1 1,-0.1 -1,-0.3 0.474 86.1 90.1 -97.2 -3.8 75.2 10.4 24.0 160 164 A L H <> S+ 0 0 9 -3,-1.4 4,-2.3 -4,-0.5 5,-0.2 0.900 82.9 50.6 -63.6 -44.4 72.6 10.4 21.3 161 165 A E H > S+ 0 0 140 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.933 113.0 44.2 -64.6 -44.4 73.7 7.3 19.4 162 166 A Y H > S+ 0 0 110 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.935 116.2 46.0 -65.5 -48.6 73.8 5.0 22.4 163 167 A L H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.841 108.4 57.3 -67.6 -28.8 70.6 6.2 23.9 164 168 A T H X S+ 0 0 8 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.941 109.4 46.0 -61.9 -46.1 68.8 5.9 20.5 165 169 A Q H X S+ 0 0 106 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.921 112.2 50.2 -61.6 -44.3 69.8 2.3 20.4 166 170 A Q H X S+ 0 0 19 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.894 108.7 51.0 -66.6 -38.1 68.7 1.6 23.9 167 171 A N H X S+ 0 0 4 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.889 108.8 53.0 -65.7 -35.2 65.3 3.2 23.4 168 172 A A H >X S+ 0 0 10 -4,-1.9 4,-1.8 1,-0.2 3,-1.2 0.889 102.4 58.5 -62.0 -38.3 64.8 1.1 20.3 169 173 A I H 3< S+ 0 0 39 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.874 95.0 65.3 -63.1 -33.9 65.6 -2.0 22.3 170 174 A R H 3< S+ 0 0 55 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.823 118.7 22.6 -54.4 -34.9 62.7 -1.2 24.7 171 175 A T H << S+ 0 0 60 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.436 87.6 124.8-116.3 -2.3 60.3 -1.8 21.8 172 176 A N >< - 0 0 73 -4,-1.8 3,-1.6 1,-0.1 8,-0.1 -0.354 60.4-136.6 -61.7 130.1 62.1 -4.0 19.3 173 177 A G T 3 S+ 0 0 74 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.0 0.769 103.3 55.8 -56.0 -30.9 60.0 -7.1 18.7 174 178 A S T 3 S+ 0 0 107 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.448 82.2 105.2 -83.2 -13.2 63.2 -9.2 19.0 175 179 A S S < S- 0 0 22 -3,-1.6 2,-0.1 -6,-0.2 -5,-0.0 -0.492 71.4-126.5 -65.0 138.4 64.2 -8.0 22.4 176 180 A T > - 0 0 75 -2,-0.2 4,-2.4 1,-0.1 5,-0.3 -0.408 29.5-104.4 -74.1 166.4 63.6 -10.4 25.2 177 181 A A H > S+ 0 0 86 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.917 123.2 51.8 -56.9 -42.7 61.6 -9.2 28.1 178 182 A R H > S+ 0 0 217 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.929 109.7 48.2 -57.5 -47.5 64.7 -8.9 30.2 179 183 A E H > S+ 0 0 101 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.926 113.5 47.4 -62.2 -46.6 66.5 -6.8 27.5 180 184 A A H X S+ 0 0 22 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.922 113.8 47.2 -67.7 -41.2 63.5 -4.5 27.1 181 185 A S H X S+ 0 0 77 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.904 111.8 50.3 -69.7 -34.9 63.1 -4.0 30.9 182 186 A A H X S+ 0 0 59 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.899 111.4 48.5 -66.6 -40.9 66.8 -3.4 31.3 183 187 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 0.928 110.6 53.3 -62.8 -43.6 66.8 -0.8 28.6 184 188 A N H X S+ 0 0 48 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.961 112.1 41.7 -52.4 -55.0 63.8 0.8 30.2 185 189 A Q H X S+ 0 0 95 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.836 111.4 57.9 -72.7 -26.2 65.4 1.1 33.6 186 190 A E H X S+ 0 0 63 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.920 105.9 47.9 -63.9 -46.8 68.6 2.3 32.0 187 191 A L H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.907 112.3 51.0 -58.8 -43.9 66.9 5.2 30.3 188 192 A L H X S+ 0 0 16 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.904 109.2 49.7 -61.5 -41.9 65.3 6.1 33.6 189 193 A D H X S+ 0 0 92 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.892 111.4 49.8 -67.2 -39.3 68.6 6.0 35.4 190 194 A Y H X S+ 0 0 49 -4,-2.2 4,-2.0 2,-0.2 3,-0.2 0.902 109.9 49.4 -60.5 -50.1 70.1 8.2 32.8 191 195 A L H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.868 105.9 58.7 -62.9 -32.3 67.3 10.8 32.9 192 196 A A H X S+ 0 0 37 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.871 105.5 48.7 -65.8 -37.3 67.6 10.8 36.7 193 197 A I H X S+ 0 0 90 -4,-1.4 4,-2.5 -3,-0.2 -1,-0.2 0.906 109.5 52.2 -65.0 -40.7 71.3 11.9 36.4 194 198 A L H X S+ 0 0 3 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.904 108.7 51.0 -63.2 -41.1 70.3 14.7 33.9 195 199 A V H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.917 110.2 49.2 -62.3 -42.2 67.7 15.9 36.4 196 200 A E H X S+ 0 0 94 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.915 115.2 44.9 -59.9 -40.4 70.3 16.0 39.1 197 201 A Q H X S+ 0 0 101 -4,-2.5 4,-2.7 1,-0.2 3,-0.3 0.904 112.1 49.4 -71.4 -42.7 72.7 17.9 36.8 198 202 A R H < S+ 0 0 16 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.751 104.4 60.1 -73.9 -22.7 70.1 20.4 35.5 199 203 A L H < S+ 0 0 25 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.849 113.5 37.5 -65.6 -37.1 68.9 21.2 39.1 200 204 A V H < S+ 0 0 124 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.1 0.872 139.2 12.3 -81.4 -40.9 72.4 22.4 39.9 201 205 A E S < S- 0 0 128 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 -0.713 79.5-154.2-140.3 91.6 73.1 23.9 36.5 202 206 A P - 0 0 61 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.267 14.0-177.1 -65.9 152.0 70.1 24.4 34.2 203 207 A K - 0 0 118 2,-0.1 2,-1.8 0, 0.0 5,-0.1 -0.693 45.3 -68.4-132.2-175.0 70.5 24.6 30.4 204 208 A D S S+ 0 0 147 -2,-0.2 2,-0.3 4,-0.1 -50,-0.1 -0.538 92.8 96.2 -86.1 77.1 68.2 25.2 27.4 205 209 A D S > S- 0 0 10 -2,-1.8 4,-1.8 1,-0.1 -52,-0.2 -0.968 84.2-101.3-157.4 170.0 66.2 22.0 27.5 206 210 A I H > S+ 0 0 5 -54,-2.7 4,-2.5 -2,-0.3 5,-0.2 0.910 117.0 54.5 -67.6 -41.0 62.9 20.6 28.8 207 211 A I H > S+ 0 0 1 -54,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.926 106.9 52.2 -60.9 -40.4 64.4 18.8 31.8 208 212 A S H > S+ 0 0 2 -55,-0.3 4,-2.6 2,-0.2 5,-0.3 0.899 108.0 50.9 -61.7 -41.2 65.9 22.1 32.9 209 213 A K H X S+ 0 0 70 -4,-1.8 4,-2.7 1,-0.2 5,-0.5 0.917 110.7 49.6 -65.3 -39.4 62.6 23.9 32.7 210 214 A L H X>S+ 0 0 1 -4,-2.5 5,-2.6 3,-0.2 4,-1.8 0.938 112.7 47.4 -60.2 -43.9 61.0 21.1 34.7 211 215 A C H <>S+ 0 0 0 -4,-2.6 5,-3.1 3,-0.2 -2,-0.2 0.943 120.4 35.9 -61.1 -49.1 63.8 21.4 37.4 212 216 A T H <5S+ 0 0 63 -4,-2.6 -2,-0.2 3,-0.2 -3,-0.2 0.931 126.8 34.3 -74.1 -47.3 63.6 25.2 37.6 213 217 A E H <5S+ 0 0 89 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.718 135.9 13.4 -86.8 -22.8 59.9 25.8 37.2 214 218 A Q T <>S+ 0 0 29 -4,-1.8 5,-2.0 -5,-0.5 6,-1.5 0.752 124.1 44.2-123.2 -46.5 58.5 22.8 38.9 215 219 A V T > - 0 0 74 -2,-0.3 4,-2.0 -3,-0.1 3,-0.4 -0.553 35.2 -98.2-103.5 174.9 59.6 16.1 42.9 222 226 A K H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.892 123.2 54.4 -55.4 -42.7 62.7 14.9 41.0 223 227 A S H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 106.8 51.7 -61.1 -40.4 61.2 11.5 40.4 224 228 A D H > S+ 0 0 22 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.890 107.3 53.0 -64.3 -40.8 58.1 13.2 38.7 225 229 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.904 109.2 49.6 -60.7 -40.9 60.4 15.2 36.5 226 230 A V H X S+ 0 0 12 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.929 112.1 47.6 -61.5 -47.1 62.1 11.9 35.4 227 231 A Q H X S+ 0 0 82 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.850 111.8 49.4 -65.6 -35.4 58.7 10.3 34.7 228 232 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.925 112.9 46.8 -68.6 -46.2 57.5 13.3 32.7 229 233 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.916 112.9 50.9 -57.6 -43.9 60.7 13.4 30.7 230 234 A F H X S+ 0 0 20 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.914 106.9 52.8 -61.4 -45.2 60.4 9.6 30.1 231 235 A L H X S+ 0 0 24 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.929 108.0 51.7 -56.9 -46.0 56.8 9.9 29.0 232 236 A L H X S+ 0 0 18 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.880 113.4 45.8 -60.9 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