==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-FEB-00 1EHG . COMPND 2 MOLECULE: CYTOCHROME P450NOR; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR H.SHIMIZU,S.PARK . 399 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18379.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 67.7 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 . 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 . 20 5.0 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 . 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 3 0 2 0 2 2 0 2 2 0 0 0 0 0 0 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 84 0, 0.0 29,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 123.8 32.3 -11.0 21.7 2 6 A P - 0 0 73 0, 0.0 29,-2.7 0, 0.0 2,-0.1 -0.402 360.0 -96.0 -76.0 152.6 35.5 -11.3 19.7 3 7 A S B -a 31 0A 80 27,-0.2 29,-0.2 -2,-0.1 30,-0.0 -0.428 51.6-117.0 -66.7 136.3 39.0 -11.1 21.3 4 8 A F S S+ 0 0 10 27,-2.8 29,-0.4 -2,-0.1 2,-0.2 -0.972 84.0 49.4-131.1 147.6 40.5 -7.6 21.1 5 9 A P S S- 0 0 49 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.430 81.6-143.7 -67.0 157.8 42.9 -6.1 20.0 6 10 A F - 0 0 17 -2,-0.2 2,-0.3 1,-0.1 -2,-0.1 -0.394 13.6-111.5 -86.5 167.4 42.5 -7.5 16.4 7 11 A S - 0 0 61 -2,-0.1 9,-0.5 1,-0.1 10,-0.3 -0.780 38.1 -98.9-100.2 146.4 45.3 -8.4 14.1 8 12 A R - 0 0 10 378,-2.7 3,-0.1 -2,-0.3 -1,-0.1 -0.283 27.8-121.7 -61.2 149.4 46.0 -6.3 11.0 9 13 A A S S- 0 0 52 5,-1.5 2,-0.3 1,-0.2 -1,-0.1 0.805 87.7 -26.7 -62.5 -29.5 44.6 -7.8 7.8 10 14 A S B > S-F 13 0B 35 3,-0.5 3,-2.0 1,-0.1 -1,-0.2 -0.951 89.7 -63.3-171.8 170.9 48.2 -7.8 6.4 11 15 A G T 3 S+ 0 0 13 -2,-0.3 380,-0.3 1,-0.3 373,-0.2 0.819 131.8 22.9 -31.4 -64.9 51.5 -6.0 6.8 12 16 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.3 0, 0.0 378,-0.0 0.318 110.3 90.3 -92.5 9.7 50.3 -2.5 5.7 13 17 A E B < S-F 10 0B 96 -3,-2.0 -3,-0.5 1,-0.1 3,-0.1 -0.743 71.9-120.8-110.0 155.1 46.5 -3.0 6.3 14 18 A P - 0 0 23 0, 0.0 -5,-1.5 0, 0.0 -4,-0.1 -0.331 55.3 -69.3 -81.3 169.0 44.3 -2.3 9.3 15 19 A P > - 0 0 12 0, 0.0 3,-0.5 0, 0.0 4,-0.4 -0.332 41.8-133.9 -57.0 143.2 42.4 -5.1 11.0 16 20 A A T 3> S+ 0 0 46 -9,-0.5 4,-0.9 1,-0.2 3,-0.4 0.718 95.0 75.7 -72.7 -21.4 39.6 -6.2 8.7 17 21 A E H 3> S+ 0 0 72 -10,-0.3 4,-2.0 1,-0.2 3,-0.3 0.853 82.1 65.7 -59.0 -39.9 37.0 -6.2 11.5 18 22 A F H <> S+ 0 0 7 -3,-0.5 4,-2.7 1,-0.2 5,-0.2 0.860 95.7 53.3 -54.7 -46.5 36.6 -2.4 11.6 19 23 A A H > S+ 0 0 43 -4,-0.4 4,-1.4 -3,-0.4 -1,-0.2 0.918 112.4 45.9 -57.2 -44.6 35.0 -1.8 8.2 20 24 A K H X S+ 0 0 142 -4,-0.9 4,-2.2 -3,-0.3 5,-0.4 0.870 112.3 50.6 -66.7 -39.0 32.3 -4.4 9.0 21 25 A L H X S+ 0 0 27 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.918 107.2 53.3 -66.4 -42.6 31.7 -3.0 12.5 22 26 A R H < S+ 0 0 17 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.874 114.7 43.8 -59.6 -34.9 31.3 0.5 11.1 23 27 A A H < S+ 0 0 80 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.843 134.3 8.5 -80.9 -35.8 28.7 -0.8 8.7 24 28 A T H < S+ 0 0 119 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.553 137.5 20.9-125.6 -11.3 26.6 -3.1 10.9 25 29 A N < + 0 0 58 -4,-2.5 -3,-0.1 -5,-0.4 -2,-0.1 -0.322 58.5 170.0-159.9 65.3 27.6 -2.7 14.6 26 30 A P S S+ 0 0 40 0, 0.0 16,-1.8 0, 0.0 2,-0.5 0.747 78.8 36.4 -50.6 -35.5 29.4 0.7 15.2 27 31 A V E S+ B 0 41A 1 14,-0.2 2,-0.3 -6,-0.1 14,-0.2 -0.949 84.4 142.3-126.4 108.6 29.3 0.3 19.0 28 32 A S E - B 0 40A 10 12,-1.8 12,-3.5 -2,-0.5 2,-0.3 -0.886 47.4 -97.2-140.8 171.4 29.8 -3.2 20.2 29 33 A Q E - B 0 39A 67 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.722 31.6-171.9 -97.0 142.3 31.4 -5.3 22.9 30 34 A V E - B 0 38A 1 8,-2.8 8,-1.9 -2,-0.3 2,-0.5 -0.900 23.8-117.8-126.9 157.3 34.8 -7.0 22.6 31 35 A K E -aB 3 37A 88 -29,-2.7 -27,-2.8 -2,-0.3 6,-0.2 -0.850 25.7-147.6-100.9 127.6 36.6 -9.4 24.9 32 36 A L > - 0 0 6 4,-3.3 3,-2.8 -2,-0.5 36,-0.1 -0.416 34.8 -93.2 -88.1 166.7 39.9 -8.4 26.5 33 37 A F T 3 S+ 0 0 97 -29,-0.4 35,-0.1 1,-0.3 -1,-0.1 0.774 125.8 51.4 -49.3 -33.5 42.8 -10.8 27.3 34 38 A D T 3 S- 0 0 77 33,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.368 121.6-104.7 -88.6 5.0 41.6 -11.2 30.9 35 39 A G S < S+ 0 0 45 -3,-2.8 -2,-0.1 1,-0.3 2,-0.1 0.345 79.5 131.4 90.4 -7.4 38.0 -12.1 29.8 36 40 A S - 0 0 50 -5,-0.1 -4,-3.3 1,-0.1 -1,-0.3 -0.362 53.2-124.9 -74.5 159.2 36.6 -8.7 30.7 37 41 A L E +B 31 0A 90 -6,-0.2 269,-0.5 -3,-0.1 2,-0.3 -0.718 27.2 178.9-105.9 157.6 34.4 -6.9 28.2 38 42 A A E -Bc 30 306A 2 -8,-1.9 -8,-2.8 -2,-0.3 2,-0.5 -0.973 31.9-105.2-151.6 157.9 34.8 -3.4 26.8 39 43 A W E -Bc 29 307A 23 267,-3.1 269,-3.2 -2,-0.3 2,-0.6 -0.777 26.7-154.4 -92.7 126.9 33.0 -1.2 24.3 40 44 A L E -Bc 28 308A 0 -12,-3.5 -12,-1.8 -2,-0.5 2,-0.5 -0.898 6.4-162.7-103.7 121.1 34.6 -0.7 20.9 41 45 A V E +Bc 27 309A 0 267,-2.5 269,-2.3 -2,-0.6 -14,-0.2 -0.904 15.4 169.4-105.0 128.0 33.7 2.5 19.1 42 46 A T + 0 0 0 -16,-1.8 2,-0.3 -2,-0.5 -20,-0.1 0.599 43.5 89.5-116.6 -16.0 34.4 2.6 15.4 43 47 A K S > S- 0 0 20 -17,-0.3 4,-2.6 1,-0.1 3,-0.3 -0.673 73.5-126.5 -90.6 143.5 32.8 5.6 13.9 44 48 A H H > S+ 0 0 7 -2,-0.3 4,-2.3 270,-0.3 5,-0.2 0.895 109.0 50.4 -49.1 -52.1 34.5 9.0 13.6 45 49 A K H > S+ 0 0 124 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.875 114.0 45.5 -57.6 -39.7 31.7 11.0 15.3 46 50 A D H > S+ 0 0 18 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.862 109.4 53.5 -74.1 -37.2 31.6 8.5 18.2 47 51 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.903 109.4 50.3 -63.7 -39.7 35.4 8.4 18.7 48 52 A C H X S+ 0 0 19 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.877 109.7 51.1 -65.1 -37.7 35.3 12.2 18.9 49 53 A F H >X S+ 0 0 83 -4,-1.4 4,-2.2 -5,-0.2 3,-0.7 0.933 111.1 47.0 -65.0 -46.9 32.6 11.9 21.5 50 54 A V H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.882 109.2 55.5 -62.2 -39.4 34.5 9.4 23.6 51 55 A A H 3< S+ 0 0 5 -4,-2.3 295,-0.4 1,-0.2 294,-0.3 0.712 120.1 29.4 -67.8 -21.3 37.7 11.6 23.4 52 56 A T H << S+ 0 0 72 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.600 84.1 120.5-116.0 -14.5 35.9 14.6 24.8 53 57 A S >< - 0 0 11 -4,-2.2 3,-1.3 1,-0.2 -4,-0.0 -0.316 49.1-154.4 -59.9 125.7 33.2 13.4 27.1 54 58 A E T 3 S+ 0 0 158 1,-0.3 -1,-0.2 -2,-0.1 -4,-0.0 0.528 92.3 69.3 -75.9 -6.2 33.6 14.6 30.7 55 59 A K T 3 S+ 0 0 89 236,-0.0 236,-3.0 2,-0.0 237,-0.8 0.414 91.2 77.4 -89.8 -0.3 31.7 11.6 31.9 56 60 A L E < -D 290 0A 7 -3,-1.3 2,-0.3 234,-0.2 234,-0.2 -0.873 67.4-153.3-114.0 146.6 34.7 9.4 30.8 57 61 A S E -D 289 0A 0 232,-2.8 232,-1.3 -2,-0.3 29,-0.1 -0.897 22.9-162.9-124.5 149.2 38.0 8.9 32.6 58 62 A K + 0 0 18 -2,-0.3 2,-0.3 230,-0.2 -1,-0.1 0.477 55.5 123.6-100.6 -7.3 41.6 8.0 31.8 59 63 A V > - 0 0 39 1,-0.2 3,-1.2 230,-0.1 26,-0.1 -0.397 51.0-156.2 -61.0 116.7 42.5 7.0 35.4 60 64 A R T 3 S+ 0 0 58 24,-0.3 -1,-0.2 -2,-0.3 5,-0.1 0.537 84.1 70.4 -75.5 -7.1 43.7 3.5 35.3 61 65 A T T 3 S+ 0 0 119 2,-0.1 2,-0.5 3,-0.1 -1,-0.2 0.468 76.3 102.5 -87.3 -1.9 42.9 2.7 38.9 62 66 A R S X S- 0 0 97 -3,-1.2 3,-1.8 1,-0.1 2,-0.1 -0.702 83.4-115.8 -83.1 126.6 39.2 2.7 38.0 63 67 A Q T 3 S+ 0 0 173 -2,-0.5 -2,-0.1 1,-0.3 -1,-0.1 -0.388 101.5 40.0 -62.1 135.6 37.8 -0.8 37.7 64 68 A G T 3 S+ 0 0 31 1,-0.4 -1,-0.3 -4,-0.1 224,-0.1 0.236 75.3 144.8 108.1 -12.8 36.7 -1.4 34.2 65 69 A F < - 0 0 22 -3,-1.8 2,-1.8 -5,-0.1 -1,-0.4 -0.407 57.1-118.4 -60.9 131.6 39.6 0.4 32.5 66 70 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.454 37.4 177.3 -75.9 75.6 40.4 -1.5 29.3 67 71 A E - 0 0 10 -2,-1.8 -33,-0.3 1,-0.1 -34,-0.2 -0.637 14.0-161.0 -76.0 132.9 44.0 -2.8 29.8 68 72 A L + 0 0 26 -2,-0.3 2,-0.3 -36,-0.1 -35,-0.2 0.516 64.8 30.3 -95.9 -6.0 44.8 -4.8 26.7 69 73 A S S > S- 0 0 47 1,-0.1 4,-1.7 -37,-0.1 5,-0.1 -0.973 78.0-112.0-148.5 162.1 47.7 -6.8 28.0 70 74 A A H > S+ 0 0 52 -2,-0.3 4,-1.6 1,-0.2 3,-0.1 0.913 120.1 51.6 -59.9 -42.8 49.1 -8.3 31.2 71 75 A S H > S+ 0 0 72 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.884 104.6 57.1 -62.1 -38.4 52.0 -5.8 31.1 72 76 A G H > S+ 0 0 12 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.892 104.4 52.1 -59.3 -40.0 49.5 -3.0 30.7 73 77 A K H < S+ 0 0 113 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.880 110.5 48.0 -64.0 -38.6 47.8 -4.1 33.9 74 78 A Q H >< S+ 0 0 118 -4,-1.6 3,-2.0 1,-0.2 4,-0.3 0.925 107.4 54.3 -67.6 -46.3 51.2 -4.0 35.8 75 79 A A H >< S+ 0 0 58 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.761 95.4 70.5 -59.7 -25.2 52.2 -0.6 34.4 76 80 A A T 3< S+ 0 0 18 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.574 85.6 68.6 -70.4 -8.2 48.9 0.7 35.8 77 81 A K T < S+ 0 0 176 -3,-2.0 -1,-0.2 -4,-0.1 -2,-0.2 0.692 82.6 90.9 -84.5 -18.8 50.2 0.3 39.4 78 82 A A S < S- 0 0 69 -3,-1.2 -3,-0.0 -4,-0.3 0, 0.0 -0.302 96.1 -84.0 -76.4 160.4 52.8 3.1 39.1 79 83 A K - 0 0 146 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.1 -0.441 59.2-118.4 -60.5 129.6 52.2 6.8 39.9 80 84 A P - 0 0 65 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.342 19.0-149.7 -77.5 155.1 50.6 8.2 36.8 81 85 A T > - 0 0 20 146,-0.1 3,-2.5 -2,-0.1 4,-0.1 -0.652 49.1 -79.9-108.7 171.5 51.9 11.0 34.5 82 86 A F G > S+ 0 0 11 1,-0.3 3,-1.6 -2,-0.2 12,-0.1 0.681 122.3 74.3 -49.2 -22.7 49.6 13.4 32.7 83 87 A V G 3 S+ 0 0 47 1,-0.3 -1,-0.3 11,-0.0 7,-0.0 0.835 105.9 36.4 -61.5 -29.7 48.9 10.8 29.9 84 88 A D G < S+ 0 0 26 -3,-2.5 -24,-0.3 2,-0.1 -1,-0.3 0.081 101.4 104.1-110.2 23.9 46.7 8.9 32.4 85 89 A M < - 0 0 28 -3,-1.6 -4,-0.0 -26,-0.1 -3,-0.0 -0.686 53.7-148.3-107.9 160.0 45.2 11.9 34.2 86 90 A D >> - 0 0 15 -2,-0.2 4,-2.2 1,-0.1 3,-0.5 -0.685 50.3 -38.8-113.4 168.1 41.8 13.6 34.1 87 91 A P T 34 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 258,-0.0 -0.423 120.7 20.3 -67.3 149.1 41.2 17.4 34.7 88 92 A P T 3> S+ 0 0 99 0, 0.0 4,-1.5 0, 0.0 5,-0.1 -0.996 127.9 46.8 -89.4 -6.8 42.4 19.3 36.6 89 93 A E H <> S+ 0 0 107 -3,-0.5 4,-1.9 1,-0.2 5,-0.3 0.891 105.6 63.9 -57.6 -42.2 45.5 17.2 37.2 90 94 A H H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 3,-0.5 0.938 110.1 32.1 -48.4 -64.6 46.0 16.5 33.5 91 95 A M H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.751 110.7 67.0 -70.7 -22.3 46.6 20.1 32.3 92 96 A H H < S+ 0 0 117 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.902 115.9 27.6 -63.9 -39.2 48.3 21.0 35.6 93 97 A Q H >< S+ 0 0 19 -4,-1.9 3,-1.2 -3,-0.5 4,-0.5 0.858 120.2 54.5 -88.8 -40.6 51.2 18.7 34.7 94 98 A R H >X S+ 0 0 25 -4,-2.9 3,-1.8 -5,-0.3 4,-0.8 0.908 101.2 59.3 -60.9 -41.9 50.9 18.8 30.9 95 99 A S T 3< S+ 0 0 60 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.690 91.8 72.5 -61.1 -15.8 51.2 22.6 30.8 96 100 A M T <4 S+ 0 0 12 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.816 113.0 23.0 -68.7 -29.4 54.6 22.1 32.6 97 101 A V T X4 S+ 0 0 5 -3,-1.8 3,-0.5 -4,-0.5 4,-0.4 0.324 95.9 96.3-120.5 7.5 56.1 20.8 29.3 98 102 A E G >X + 0 0 55 -4,-0.8 3,-1.9 1,-0.2 4,-0.8 0.843 63.9 79.4 -68.0 -35.8 53.8 22.3 26.6 99 103 A P G >4 S+ 0 0 75 0, 0.0 3,-0.7 0, 0.0 6,-0.2 0.805 91.1 51.8 -41.2 -44.2 55.9 25.3 25.7 100 104 A T G <4 S+ 0 0 28 -3,-0.5 -2,-0.1 1,-0.2 -3,-0.0 0.771 112.3 47.3 -68.1 -24.3 58.4 23.4 23.5 101 105 A F G <4 S+ 0 0 6 -3,-1.9 251,-0.3 -4,-0.4 252,-0.2 0.464 78.5 120.7 -99.8 -2.0 55.6 21.9 21.5 102 106 A T S S+ 0 0 61 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.900 120.1 50.4 -55.2 -39.1 52.8 25.6 17.0 104 108 A E H > S+ 0 0 116 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.926 110.6 47.4 -64.3 -47.5 54.9 28.7 17.4 105 109 A A H > S+ 0 0 25 -6,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.889 112.5 49.7 -61.8 -41.2 57.8 27.0 19.1 106 110 A V H >X S+ 0 0 8 -4,-2.6 4,-0.8 2,-0.2 3,-0.5 0.893 107.2 54.7 -66.3 -39.0 57.8 24.2 16.5 107 111 A K H >< S+ 0 0 141 -4,-2.1 3,-0.8 -5,-0.3 -1,-0.2 0.907 109.9 46.8 -60.4 -40.1 57.8 26.8 13.7 108 112 A N H 3< S+ 0 0 118 -4,-1.9 -1,-0.3 1,-0.2 4,-0.2 0.652 108.2 58.1 -75.5 -14.8 60.9 28.4 15.3 109 113 A L H XX S+ 0 0 32 -4,-0.8 4,-2.4 -3,-0.5 3,-0.6 0.567 77.9 97.1 -88.6 -11.6 62.4 24.9 15.6 110 114 A Q H S+ 0 0 79 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.884 111.6 48.0 -55.6 -39.1 65.8 25.2 11.0 112 116 A Y H <> S+ 0 0 43 -3,-0.6 4,-2.4 -4,-0.2 -2,-0.2 0.927 112.3 48.3 -67.5 -44.4 67.0 22.8 13.7 113 117 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.929 112.9 49.1 -60.5 -44.7 64.8 20.0 12.4 114 118 A Q H X S+ 0 0 50 -4,-3.0 4,-2.8 -5,-0.2 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43.7 -58.2 -52.6 65.6 10.1 18.5 147 151 A Y H X S+ 0 0 46 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.905 115.1 51.1 -61.8 -41.5 68.2 12.9 18.1 148 152 A I H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.4 -2,-0.2 0.949 114.9 39.1 -63.5 -51.8 65.6 15.6 18.1 149 153 A I H X S+ 0 0 13 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.925 117.1 50.4 -66.9 -42.6 63.7 14.5 21.2 150 154 A Y H X>S+ 0 0 2 -4,-2.5 5,-2.3 -5,-0.3 4,-2.2 0.932 113.2 47.2 -60.0 -44.1 66.9 13.6 23.1 151 155 A T H <5S+ 0 0 53 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.926 111.6 49.2 -64.3 -44.6 68.3 17.0 22.2 152 156 A L H <5S+ 0 0 24 -4,-2.6 54,-2.7 1,-0.2 -1,-0.2 0.895 110.9 52.1 -61.7 -38.1 65.2 18.9 23.2 153 157 A L H <5S- 0 0 0 -4,-2.6 54,-2.0 52,-0.2 55,-0.4 0.899 126.7 -97.5 -65.7 -41.6 65.2 16.9 26.5 154 158 A G T <5 + 0 0 7 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.414 67.0 150.4 139.2 0.6 68.8 17.8 27.3 155 159 A V < - 0 0 7 -5,-2.3 -1,-0.2 -6,-0.2 5,-0.1 -0.395 47.4-116.7 -65.5 131.3 71.0 14.9 26.2 156 160 A P >> - 0 0 55 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.374 24.4-111.7 -69.2 148.3 74.5 16.0 25.1 157 161 A F G >4 S+ 0 0 163 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.829 113.0 58.1 -45.5 -46.5 75.6 15.3 21.5 158 162 A N G 34 S+ 0 0 143 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.660 105.6 50.5 -64.8 -16.5 78.1 12.6 22.3 159 163 A D G <> S+ 0 0 59 -3,-2.0 4,-2.1 1,-0.1 -1,-0.2 0.502 84.2 91.7 -99.1 -6.6 75.5 10.4 24.1 160 164 A L H S+ 0 0 145 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.920 113.8 43.7 -59.1 -47.9 74.0 7.3 19.4 162 166 A Y H > S+ 0 0 110 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.938 116.4 47.0 -64.3 -46.1 74.2 5.0 22.4 163 167 A L H X S+ 0 0 3 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.813 108.8 55.1 -66.2 -30.8 70.9 6.3 23.9 164 168 A T H X S+ 0 0 7 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.905 110.3 46.7 -68.5 -39.8 69.2 6.0 20.5 165 169 A Q H X S+ 0 0 107 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.914 111.7 50.0 -68.0 -43.8 70.2 2.3 20.3 166 170 A Q H X S+ 0 0 21 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.900 109.8 50.3 -63.2 -41.6 69.1 1.6 23.9 167 171 A N H X S+ 0 0 5 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.850 109.2 53.2 -65.1 -33.1 65.7 3.2 23.4 168 172 A A H >X S+ 0 0 13 -4,-1.5 4,-1.8 1,-0.2 3,-0.7 0.903 103.7 55.3 -67.3 -41.8 65.3 1.1 20.2 169 173 A I H 3< S+ 0 0 39 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.827 96.6 68.7 -60.2 -30.7 66.1 -2.1 22.1 170 174 A R H 3< S+ 0 0 57 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.901 117.1 19.6 -54.3 -45.1 63.2 -1.1 24.4 171 175 A T H << S+ 0 0 69 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.490 89.9 125.2-108.1 -5.1 60.6 -1.7 21.7 172 176 A N >< - 0 0 71 -4,-1.8 3,-1.1 1,-0.2 8,-0.1 -0.326 58.6-139.7 -57.2 131.1 62.5 -4.0 19.3 173 177 A G T 3 S+ 0 0 76 1,-0.2 -1,-0.2 -2,-0.0 -4,-0.0 0.732 101.6 60.2 -65.2 -19.9 60.5 -7.2 18.7 174 178 A S T 3 S+ 0 0 105 2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.706 82.7 100.4 -80.3 -21.7 63.8 -9.1 18.7 175 179 A S S < S- 0 0 22 -3,-1.1 2,-0.1 -6,-0.2 -5,-0.0 -0.364 73.6-126.6 -66.5 142.2 64.6 -8.0 22.3 176 180 A T > - 0 0 73 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.385 31.8-102.1 -79.3 168.0 64.0 -10.6 25.1 177 181 A A H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.891 124.7 50.2 -59.1 -39.9 61.8 -9.4 28.0 178 182 A R H > S+ 0 0 216 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.936 110.2 49.2 -64.5 -46.3 65.0 -9.0 30.1 179 183 A E H > S+ 0 0 98 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.934 111.9 48.0 -58.3 -48.8 66.8 -6.9 27.4 180 184 A A H X S+ 0 0 24 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.920 114.2 47.5 -58.5 -44.9 63.8 -4.6 26.9 181 185 A S H X S+ 0 0 81 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.929 110.8 50.6 -62.2 -48.2 63.6 -4.1 30.7 182 186 A A H X S+ 0 0 61 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.899 112.2 46.9 -57.6 -44.4 67.3 -3.5 31.1 183 187 A A H X S+ 0 0 1 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.912 112.9 51.1 -64.6 -42.5 67.3 -0.9 28.4 184 188 A N H X S+ 0 0 45 -4,-2.3 4,-1.7 -5,-0.2 3,-0.4 0.966 113.1 42.1 -59.1 -57.6 64.2 0.7 29.9 185 189 A Q H X S+ 0 0 93 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.834 111.3 58.9 -60.1 -33.5 65.5 1.0 33.4 186 190 A E H X S+ 0 0 61 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.879 104.1 49.2 -63.8 -40.2 68.8 2.1 32.0 187 191 A L H X S+ 0 0 3 -4,-1.9 4,-2.2 -3,-0.4 -1,-0.2 0.886 110.5 51.7 -66.7 -38.2 67.2 5.1 30.2 188 192 A L H X S+ 0 0 20 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.902 108.4 50.6 -64.6 -41.4 65.5 6.0 33.5 189 193 A D H X S+ 0 0 89 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.890 110.8 49.8 -62.9 -40.9 68.8 5.9 35.4 190 194 A Y H X S+ 0 0 48 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.890 109.9 49.6 -65.6 -41.6 70.4 8.2 32.8 191 195 A L H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.855 105.5 58.1 -66.4 -34.5 67.5 10.7 33.0 192 196 A A H X S+ 0 0 38 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.873 106.7 49.2 -62.3 -36.9 67.8 10.7 36.8 193 197 A I H X S+ 0 0 91 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.909 108.7 51.7 -68.2 -43.9 71.5 11.8 36.3 194 198 A L H X S+ 0 0 3 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.864 109.0 51.6 -61.6 -36.7 70.5 14.6 33.9 195 199 A V H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.944 109.8 47.6 -66.9 -46.3 68.0 15.8 36.4 196 200 A E H X S+ 0 0 91 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.924 116.0 47.4 -59.1 -42.1 70.5 15.9 39.3 197 201 A Q H X S+ 0 0 95 -4,-2.6 4,-2.8 1,-0.2 3,-0.4 0.932 112.5 45.7 -63.7 -50.9 72.9 17.7 36.9 198 202 A R H < S+ 0 0 19 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.729 105.6 62.5 -67.8 -22.8 70.4 20.3 35.5 199 203 A L H < S+ 0 0 31 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.887 112.7 35.9 -68.1 -38.5 69.2 21.0 39.1 200 204 A V H < S+ 0 0 126 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.905 138.8 15.1 -79.3 -46.1 72.7 22.2 39.9 201 205 A E S < S- 0 0 122 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 -0.759 80.4-155.3-134.1 88.3 73.4 23.8 36.6 202 206 A P - 0 0 59 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.276 12.4-173.2 -64.5 147.5 70.4 24.4 34.3 203 207 A K - 0 0 104 2,-0.1 2,-1.3 0, 0.0 -5,-0.0 -0.554 44.2 -74.7-123.5-170.3 70.8 24.6 30.6 204 208 A D S S+ 0 0 150 -2,-0.2 2,-0.3 4,-0.1 -50,-0.1 -0.581 91.8 98.5 -93.7 74.0 68.4 25.4 27.7 205 209 A D S > S- 0 0 13 -2,-1.3 4,-1.7 1,-0.1 -52,-0.2 -0.929 83.8 -98.5-148.4 171.5 66.4 22.2 27.6 206 210 A I H > S+ 0 0 6 -54,-2.7 4,-2.1 -2,-0.3 5,-0.2 0.929 118.9 52.4 -60.7 -48.3 63.2 20.6 28.7 207 211 A I H > S+ 0 0 2 -54,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.909 108.1 52.4 -56.5 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