==== 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 1EHE . 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) . 18284.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 66.2 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 . 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 . 19 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 38.6 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 3 0 3 0 2 2 0 2 2 1 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 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 0.000 360.0 360.0 360.0 126.4 32.1 -10.9 22.0 2 6 A P - 0 0 68 0, 0.0 29,-3.1 0, 0.0 2,-0.2 -0.364 360.0 -97.6 -74.5 153.0 35.3 -11.1 20.0 3 7 A S B -a 31 0A 93 27,-0.2 29,-0.2 -2,-0.1 30,-0.0 -0.506 50.7-119.5 -72.1 134.6 38.8 -10.9 21.5 4 8 A F S S+ 0 0 10 27,-2.7 29,-0.3 -2,-0.2 2,-0.2 -0.961 85.1 54.3-130.1 148.5 40.3 -7.4 21.3 5 9 A P S S- 0 0 39 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.390 84.6-141.3 -60.4 149.1 42.8 -6.0 20.1 6 10 A F - 0 0 12 -2,-0.2 2,-0.4 1,-0.1 -2,-0.1 -0.404 15.0-110.0 -81.6 162.9 42.0 -7.3 16.7 7 11 A S - 0 0 61 -2,-0.1 9,-0.5 7,-0.1 380,-0.3 -0.815 36.0-102.8 -98.8 135.2 44.7 -8.4 14.3 8 12 A R B -F 15 0B 7 378,-3.2 3,-0.1 -2,-0.4 378,-0.1 -0.236 26.7-123.4 -53.3 139.7 45.5 -6.3 11.2 9 13 A A S S- 0 0 54 5,-1.0 2,-0.3 1,-0.1 -1,-0.1 0.885 86.5 -24.6 -52.3 -41.1 44.0 -7.8 8.1 10 14 A S S > S- 0 0 35 3,-0.4 3,-0.6 4,-0.1 -1,-0.1 -0.910 91.2 -60.9-158.4-178.8 47.6 -7.8 6.7 11 15 A G T 3 S+ 0 0 15 -2,-0.3 380,-0.3 1,-0.2 373,-0.2 0.873 130.6 16.3 -38.7 -66.9 50.9 -6.0 7.0 12 16 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.2 0, 0.0 378,-0.1 0.426 110.4 95.9 -93.0 1.8 49.8 -2.4 6.1 13 17 A E S < S- 0 0 97 -3,-0.6 -3,-0.4 1,-0.1 3,-0.1 -0.588 72.2-121.2 -95.2 154.0 46.1 -2.9 6.5 14 18 A P - 0 0 20 0, 0.0 -5,-1.0 0, 0.0 -4,-0.1 -0.462 54.0 -68.2 -84.9 163.3 43.9 -2.2 9.5 15 19 A P B -F 8 0B 12 0, 0.0 3,-0.5 0, 0.0 4,-0.4 -0.216 41.4-134.8 -50.1 140.8 41.9 -4.9 11.2 16 20 A A S > S+ 0 0 42 -9,-0.5 4,-1.0 1,-0.2 3,-0.3 0.726 95.2 74.7 -70.5 -23.0 39.1 -6.1 8.9 17 21 A E H > S+ 0 0 76 -10,-0.2 4,-2.3 1,-0.2 3,-0.4 0.881 83.4 64.7 -56.7 -45.7 36.6 -6.1 11.8 18 22 A F H > S+ 0 0 7 -3,-0.5 4,-3.1 1,-0.2 5,-0.2 0.864 98.2 50.9 -49.3 -50.6 36.2 -2.3 11.9 19 23 A A H > S+ 0 0 36 -4,-0.4 4,-1.1 -3,-0.3 -1,-0.2 0.908 113.3 47.5 -56.3 -42.7 34.6 -1.8 8.5 20 24 A K H X S+ 0 0 125 -4,-1.0 4,-1.9 -3,-0.4 5,-0.4 0.885 113.7 47.2 -65.0 -42.2 32.1 -4.5 9.3 21 25 A L H X S+ 0 0 28 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.890 105.7 57.9 -68.5 -40.7 31.3 -2.9 12.7 22 26 A R H < S+ 0 0 16 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.837 115.7 37.8 -60.1 -30.0 31.0 0.6 11.3 23 27 A A H < S+ 0 0 82 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.755 134.7 16.3 -93.3 -27.0 28.2 -0.7 9.1 24 28 A T H < S+ 0 0 121 -4,-1.9 -3,-0.2 -5,-0.1 -2,-0.2 0.741 136.6 14.2-116.7 -36.6 26.4 -3.2 11.3 25 29 A N < + 0 0 61 -4,-1.3 -3,-0.1 -5,-0.4 3,-0.1 -0.530 58.9 171.6-147.1 74.1 27.4 -2.7 15.0 26 30 A P S S+ 0 0 39 0, 0.0 16,-2.0 0, 0.0 2,-0.5 0.712 80.1 36.7 -54.8 -31.2 29.1 0.7 15.5 27 31 A V E S+ B 0 41A 1 14,-0.2 2,-0.2 -6,-0.1 14,-0.2 -0.922 86.0 143.5-130.0 103.1 29.1 0.5 19.3 28 32 A S E - B 0 40A 8 12,-1.7 12,-3.6 -2,-0.5 2,-0.4 -0.791 47.3 -97.4-134.2 176.6 29.6 -3.1 20.5 29 33 A Q E - B 0 39A 66 -2,-0.2 2,-0.3 10,-0.2 10,-0.2 -0.824 31.2-173.5-104.0 136.5 31.3 -5.2 23.2 30 34 A V E - B 0 38A 0 8,-2.6 8,-2.0 -2,-0.4 2,-0.4 -0.894 23.8-119.7-123.0 154.3 34.7 -6.9 22.8 31 35 A K E -aB 3 37A 81 -29,-3.1 -27,-2.7 -2,-0.3 6,-0.2 -0.821 25.2-145.0 -99.3 131.7 36.4 -9.3 25.2 32 36 A L > - 0 0 7 4,-3.4 3,-2.5 -2,-0.4 36,-0.1 -0.401 32.7 -94.1 -89.7 168.9 39.8 -8.3 26.7 33 37 A F T 3 S+ 0 0 94 -29,-0.3 35,-0.1 1,-0.3 -1,-0.1 0.788 125.7 49.0 -51.3 -35.2 42.7 -10.6 27.6 34 38 A D T 3 S- 0 0 69 33,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.381 122.8-103.9 -88.6 4.4 41.6 -11.1 31.2 35 39 A G S < S+ 0 0 32 -3,-2.5 -2,-0.1 1,-0.3 -1,-0.0 0.267 79.6 131.1 94.1 -12.7 38.0 -11.9 30.1 36 40 A S - 0 0 49 -5,-0.1 -4,-3.4 1,-0.1 -1,-0.3 -0.235 52.7-125.0 -68.6 164.9 36.5 -8.5 31.0 37 41 A L E -B 31 0A 75 -6,-0.2 269,-0.5 -3,-0.1 2,-0.3 -0.819 25.7-178.3-113.3 153.7 34.4 -6.7 28.4 38 42 A A E -Bc 30 306A 1 -8,-2.0 -8,-2.6 -2,-0.3 2,-0.5 -0.972 31.4-105.6-146.1 157.2 34.7 -3.2 27.0 39 43 A W E -Bc 29 307A 23 267,-2.6 269,-3.6 -2,-0.3 2,-0.6 -0.742 28.1-152.9 -89.3 128.0 32.8 -1.1 24.6 40 44 A L E -Bc 28 308A 0 -12,-3.6 -12,-1.7 -2,-0.5 2,-0.5 -0.903 6.1-162.0-104.4 119.0 34.3 -0.6 21.2 41 45 A V E +Bc 27 309A 0 267,-2.8 269,-2.2 -2,-0.6 -14,-0.2 -0.886 15.7 169.4-102.8 126.8 33.4 2.6 19.4 42 46 A T + 0 0 0 -16,-2.0 2,-0.3 -2,-0.5 -1,-0.1 0.612 44.1 89.1-114.1 -17.0 34.1 2.7 15.6 43 47 A K S > S- 0 0 17 -17,-0.4 4,-2.9 1,-0.1 3,-0.3 -0.679 72.6-128.9 -91.3 140.2 32.5 5.7 14.1 44 48 A H H > S+ 0 0 8 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.898 109.4 50.2 -47.9 -51.5 34.3 9.1 13.8 45 49 A K H > S+ 0 0 120 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.900 115.1 44.4 -58.2 -40.4 31.4 11.0 15.4 46 50 A D H > S+ 0 0 18 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.839 109.5 54.3 -74.3 -34.6 31.3 8.6 18.3 47 51 A V H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.915 109.0 50.1 -64.4 -40.4 35.1 8.4 18.8 48 52 A C H X S+ 0 0 19 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.2 0.861 109.1 52.1 -64.2 -38.0 35.1 12.2 19.1 49 53 A F H >X S+ 0 0 84 -4,-1.4 4,-2.3 -5,-0.2 3,-1.0 0.951 109.4 48.0 -64.0 -49.8 32.3 12.0 21.7 50 54 A V H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.891 109.0 56.1 -57.6 -40.1 34.2 9.5 23.8 51 55 A A H 3< S+ 0 0 6 -4,-2.1 295,-0.4 1,-0.2 294,-0.3 0.714 120.0 27.9 -66.9 -21.7 37.4 11.7 23.5 52 56 A T H << S+ 0 0 71 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.561 84.5 121.0-118.2 -12.1 35.6 14.8 24.9 53 57 A S >< - 0 0 9 -4,-2.3 3,-1.5 1,-0.2 -4,-0.0 -0.361 50.2-152.3 -62.7 124.7 32.8 13.5 27.2 54 58 A E T 3 S+ 0 0 151 1,-0.3 -1,-0.2 -2,-0.2 -4,-0.0 0.617 92.8 69.0 -70.2 -13.3 33.2 14.8 30.8 55 59 A K T 3 S+ 0 0 86 236,-0.1 236,-3.2 235,-0.0 237,-0.8 0.446 90.9 77.6 -85.3 0.3 31.4 11.7 32.0 56 60 A L E < -D 290 0A 7 -3,-1.5 2,-0.3 234,-0.2 234,-0.2 -0.871 66.0-155.9-113.6 146.4 34.4 9.6 31.0 57 61 A S E -D 289 0A 0 232,-2.7 232,-1.3 -2,-0.3 29,-0.1 -0.910 22.0-161.3-125.4 149.2 37.7 9.1 32.8 58 62 A K + 0 0 18 -2,-0.3 2,-0.4 230,-0.2 -1,-0.1 0.363 55.5 123.4-102.3 -0.3 41.2 8.1 31.9 59 63 A V > - 0 0 40 1,-0.1 3,-1.1 230,-0.1 26,-0.1 -0.512 51.3-155.1 -68.4 119.8 42.2 7.3 35.5 60 64 A R T 3 S+ 0 0 58 -2,-0.4 -1,-0.1 24,-0.3 5,-0.1 0.461 84.0 70.6 -78.2 -1.7 43.4 3.7 35.5 61 65 A T T 3 S+ 0 0 119 2,-0.1 2,-0.4 3,-0.1 -1,-0.2 0.496 76.5 99.3 -91.0 -3.8 42.6 3.0 39.2 62 66 A R S X S- 0 0 95 -3,-1.1 3,-1.5 1,-0.1 2,-0.1 -0.681 86.0-112.0 -82.1 131.7 38.9 3.0 38.4 63 67 A Q T 3 S+ 0 0 172 -2,-0.4 -2,-0.1 1,-0.2 -1,-0.1 -0.400 101.5 39.2 -64.9 139.5 37.6 -0.5 38.0 64 68 A G T 3 S+ 0 0 31 1,-0.3 -1,-0.2 -4,-0.1 242,-0.2 0.274 73.9 147.7 104.8 -10.3 36.5 -1.2 34.4 65 69 A F < - 0 0 23 -3,-1.5 2,-1.6 1,-0.1 -1,-0.3 -0.392 56.2-116.4 -60.3 130.9 39.4 0.6 32.8 66 70 A P + 0 0 1 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.494 38.3 178.2 -74.4 85.5 40.2 -1.3 29.6 67 71 A E - 0 0 12 -2,-1.6 -33,-0.3 1,-0.1 -34,-0.2 -0.769 13.9-160.5 -85.5 130.9 43.8 -2.6 30.1 68 72 A L + 0 0 27 -2,-0.5 2,-0.3 -36,-0.1 -35,-0.2 0.532 65.1 25.9 -92.2 -7.2 44.7 -4.6 26.9 69 73 A S S > S- 0 0 48 1,-0.1 4,-1.5 -37,-0.1 5,-0.2 -0.976 79.5-106.9-151.2 163.0 47.5 -6.7 28.3 70 74 A A H > S+ 0 0 54 -2,-0.3 4,-1.3 1,-0.2 3,-0.1 0.880 120.1 50.6 -57.5 -41.3 49.0 -8.2 31.5 71 75 A S H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 105.0 56.7 -65.2 -41.8 51.8 -5.6 31.5 72 76 A G H > S+ 0 0 14 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.844 105.0 52.3 -58.7 -34.5 49.3 -2.7 31.1 73 77 A K H < S+ 0 0 78 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.862 110.9 47.3 -70.3 -34.6 47.5 -3.8 34.2 74 78 A Q H >< S+ 0 0 120 -4,-1.3 3,-1.3 -3,-0.2 4,-0.4 0.854 106.9 56.1 -74.6 -36.0 50.7 -3.8 36.2 75 79 A A H 3< S+ 0 0 61 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.718 92.7 73.4 -68.5 -20.2 51.8 -0.4 34.9 76 80 A A T 3< S+ 0 0 15 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.657 84.7 67.1 -69.2 -15.7 48.5 1.0 36.2 77 81 A K S < S+ 0 0 158 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.877 82.1 87.2 -74.4 -39.2 49.7 0.8 39.8 78 82 A A S S- 0 0 71 -3,-0.5 -3,-0.0 -4,-0.4 0, 0.0 0.076 97.3 -74.2 -56.7 169.6 52.5 3.5 39.6 79 83 A K - 0 0 151 1,-0.1 2,-0.2 0, 0.0 -1,-0.2 -0.460 58.5-120.1 -65.4 133.5 52.0 7.2 40.2 80 84 A P - 0 0 64 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.516 18.5-154.5 -84.9 148.9 50.3 8.7 37.2 81 85 A T > - 0 0 18 -2,-0.2 3,-1.7 146,-0.1 9,-0.1 -0.440 50.3 -79.0-100.1-179.1 51.6 11.5 34.9 82 86 A F G > S+ 0 0 10 1,-0.3 3,-1.6 -2,-0.2 12,-0.1 0.695 121.8 75.4 -60.3 -20.1 49.2 13.7 32.9 83 87 A V G 3 S+ 0 0 48 1,-0.3 -1,-0.3 11,-0.0 7,-0.0 0.809 106.0 36.2 -61.3 -28.8 48.6 11.1 30.2 84 88 A D G < S+ 0 0 27 -3,-1.7 -24,-0.3 2,-0.1 2,-0.3 0.004 100.8 104.4-112.8 26.5 46.4 9.3 32.8 85 89 A M < - 0 0 31 -3,-1.6 -4,-0.0 -26,-0.1 -3,-0.0 -0.747 54.4-148.3-109.6 157.5 44.8 12.3 34.5 86 90 A D > - 0 0 15 -2,-0.3 4,-2.5 1,-0.1 3,-0.4 -0.649 50.1 -37.0-110.7 169.9 41.4 13.9 34.3 87 91 A P T 4 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 258,-0.0 -0.394 118.9 17.3 -69.1 151.5 40.7 17.6 34.8 88 92 A P T > S+ 0 0 97 0, 0.0 4,-1.6 0, 0.0 -3,-0.0 -0.992 128.5 48.2 -89.4 -6.4 41.9 19.8 36.5 89 93 A E H > S+ 0 0 105 -3,-0.4 4,-1.8 1,-0.2 5,-0.3 0.920 104.6 64.6 -56.2 -46.5 45.0 17.7 37.4 90 94 A H H >X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 3,-0.6 0.907 110.4 32.1 -42.7 -64.9 45.5 16.9 33.7 91 95 A M H 3> S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.757 108.6 70.0 -70.6 -24.0 46.2 20.4 32.4 92 96 A H H 3< S+ 0 0 122 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.886 115.8 25.9 -60.1 -37.4 47.8 21.4 35.7 93 97 A Q H X< S+ 0 0 19 -4,-1.8 3,-1.5 -3,-0.6 4,-0.5 0.848 118.8 56.8 -92.8 -41.5 50.7 19.1 34.8 94 98 A R H >X S+ 0 0 21 -4,-2.8 3,-1.7 -5,-0.3 4,-1.1 0.888 101.2 58.8 -58.2 -39.7 50.5 19.1 31.0 95 99 A S T 3< S+ 0 0 61 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.1 0.679 90.8 72.8 -64.2 -15.9 50.8 22.9 30.9 96 100 A M T <4 S+ 0 0 14 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.765 115.0 20.7 -68.8 -25.9 54.2 22.5 32.7 97 101 A V T X4 S+ 0 0 5 -3,-1.7 3,-0.8 -4,-0.5 4,-0.3 0.409 97.7 93.7-123.5 0.5 55.7 21.2 29.4 98 102 A E G >X + 0 0 47 -4,-1.1 3,-2.4 1,-0.2 4,-0.5 0.820 65.9 80.2 -65.2 -33.0 53.3 22.4 26.7 99 103 A P G >4 S+ 0 0 75 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.799 90.1 53.0 -45.1 -36.3 55.3 25.6 25.9 100 104 A T G <4 S+ 0 0 32 -3,-0.8 -2,-0.2 1,-0.2 106,-0.0 0.691 110.5 49.4 -75.4 -15.8 57.9 23.7 23.7 101 105 A F G <4 S+ 0 0 4 -3,-2.4 251,-0.3 -4,-0.3 -1,-0.2 0.355 78.6 120.4-106.9 7.0 55.1 22.1 21.7 102 106 A T S S+ 0 0 74 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.909 120.5 47.0 -53.2 -43.8 52.4 25.9 17.0 104 108 A E H > S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.908 111.4 49.8 -66.1 -42.8 54.6 29.0 17.3 105 109 A A H > S+ 0 0 23 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.909 112.8 47.7 -62.9 -41.1 57.4 27.2 19.2 106 110 A V H < S+ 0 0 7 -4,-2.6 4,-0.5 2,-0.2 -1,-0.2 0.837 108.5 54.5 -68.9 -33.5 57.4 24.4 16.6 107 111 A K H >< S+ 0 0 141 -4,-1.9 3,-1.0 -5,-0.3 -1,-0.2 0.906 108.9 48.4 -66.0 -39.0 57.5 26.9 13.7 108 112 A N H 3< S+ 0 0 117 -4,-2.0 4,-0.2 1,-0.2 -1,-0.2 0.666 107.9 56.8 -74.1 -16.0 60.6 28.5 15.3 109 113 A L T >X S+ 0 0 34 -4,-0.7 4,-2.5 1,-0.2 3,-0.5 0.527 78.5 97.5 -90.3 -8.3 62.0 25.0 15.6 110 114 A Q H <> S+ 0 0 66 -3,-1.0 4,-2.9 -4,-0.5 5,-0.2 0.892 80.4 50.8 -48.6 -51.5 61.7 24.3 11.9 111 115 A P H 3> S+ 0 0 82 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.886 112.5 47.9 -57.0 -37.5 65.4 25.2 11.1 112 116 A Y H <> S+ 0 0 41 -3,-0.5 4,-2.3 -4,-0.2 -2,-0.2 0.906 111.4 49.4 -68.9 -42.6 66.6 22.9 13.8 113 117 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 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45.2-145.2 -77.9 158.4 71.2 -2.1 1.2 134 138 A V E -G 397 0C 14 263,-2.0 263,-2.6 261,-0.1 2,-0.9 -0.861 26.7-106.5-117.3 153.2 71.0 -0.1 4.4 135 139 A D E > -G 396 0C 44 -2,-0.3 4,-2.7 261,-0.2 5,-0.3 -0.740 22.9-157.9 -85.5 108.2 68.2 -0.2 6.9 136 140 A L H >>S+ 0 0 0 259,-2.6 5,-2.4 -2,-0.9 4,-2.1 0.801 90.9 54.8 -52.6 -34.2 66.2 3.0 6.5 137 141 A V H 4>S+ 0 0 13 3,-0.2 5,-3.2 2,-0.2 -1,-0.2 0.990 111.9 39.2 -65.6 -61.4 64.9 2.6 10.0 138 142 A K H 45S+ 0 0 122 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.885 125.6 38.8 -56.6 -42.4 68.2 2.2 11.8 139 143 A E H <5S- 0 0 37 -4,-2.7 -1,-0.2 3,-0.1 -2,-0.2 0.744 139.4 -5.1 -83.2 -24.8 69.9 4.9 9.7 140 144 A F T X5S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.3 -3,-0.2 0.660 122.4 53.8-136.2 -52.1 67.1 7.4 9.4 141 145 A A T 4 S+ 0 0 6 0, 0.0 4,-2.7 0, 0.0 5,-0.4 0.745 101.4 68.8 -67.0 -24.9 67.3 8.7 14.9 144 148 A V H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 5,-0.2 0.992 112.0 28.7 -60.1 -61.2 65.3 11.6 13.4 145 149 A P H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.909 122.1 55.4 -65.1 -39.3 62.6 11.6 16.1 146 150 A S H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 5,-0.3 0.926 108.5 44.3 -57.4 -52.2 65.0 10.3 18.8 147 151 A Y H X S+ 0 0 43 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.890 114.4 51.3 -62.9 -39.8 67.6 13.0 18.4 148 152 A I H X S+ 0 0 1 -4,-1.6 4,-2.1 -5,-0.4 -2,-0.2 0.933 115.1 38.9 -65.4 -48.3 65.0 15.7 18.3 149 153 A I H X S+ 0 0 13 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.904 116.9 50.4 -70.5 -40.5 63.2 14.7 21.5 150 154 A Y H X>S+ 0 0 2 -4,-2.6 5,-2.7 -5,-0.3 4,-1.7 0.926 113.6 46.7 -61.6 -43.1 66.3 13.8 23.4 151 155 A T H <5S+ 0 0 51 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.877 111.2 50.3 -66.5 -40.4 67.8 17.1 22.4 152 156 A L H <5S+ 0 0 24 -4,-2.1 54,-2.5 1,-0.2 -1,-0.2 0.892 109.9 51.9 -64.9 -39.3 64.7 19.1 23.4 153 157 A L H <5S- 0 0 0 -4,-2.3 54,-2.1 52,-0.2 55,-0.4 0.851 127.7 -98.3 -65.6 -36.0 64.6 17.3 26.8 154 158 A G T <5 + 0 0 6 -4,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.503 67.8 149.7 129.6 9.0 68.3 18.2 27.4 155 159 A V < - 0 0 7 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.1 -0.508 47.8-116.2 -72.1 136.4 70.5 15.2 26.4 156 160 A P >> - 0 0 57 0, 0.0 3,-1.9 0, 0.0 4,-0.7 -0.445 22.8-110.4 -75.6 150.1 73.9 16.2 25.2 157 161 A F G >4 S+ 0 0 168 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.848 113.3 57.8 -42.3 -51.6 75.0 15.5 21.6 158 162 A N G 34 S+ 0 0 138 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.688 106.5 49.1 -59.0 -21.7 77.6 12.8 22.5 159 163 A D G <> S+ 0 0 58 -3,-1.9 4,-2.3 1,-0.1 5,-0.3 0.587 85.7 89.9 -95.4 -12.1 75.0 10.7 24.3 160 164 A L H S+ 0 0 144 -4,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.892 114.0 43.1 -56.2 -45.2 73.5 7.5 19.7 162 166 A Y H > S+ 0 0 110 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.939 116.5 46.9 -68.1 -46.0 73.6 5.3 22.8 163 167 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.840 109.3 55.6 -65.1 -31.8 70.4 6.5 24.3 164 168 A T H X S+ 0 0 7 -4,-2.7 4,-1.3 -5,-0.3 -1,-0.2 0.904 109.1 46.6 -67.5 -40.2 68.6 6.2 20.9 165 169 A Q H X S+ 0 0 104 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.914 111.8 51.2 -67.7 -42.4 69.6 2.5 20.7 166 170 A Q H X S+ 0 0 20 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.904 108.2 50.4 -62.1 -44.5 68.5 1.8 24.3 167 171 A N H X S+ 0 0 4 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.819 109.0 53.4 -64.5 -31.3 65.1 3.4 23.8 168 172 A A H >X S+ 0 0 14 -4,-1.3 4,-2.2 1,-0.2 3,-0.8 0.899 102.0 56.9 -69.6 -41.6 64.6 1.2 20.7 169 173 A I H 3< S+ 0 0 39 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.788 95.5 70.1 -60.1 -25.5 65.4 -1.9 22.6 170 174 A R H 3< S+ 0 0 58 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.926 116.1 19.4 -56.0 -48.6 62.5 -1.0 24.9 171 175 A T H << S+ 0 0 75 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.553 90.5 128.3-101.9 -11.6 60.0 -1.7 22.2 172 176 A N < - 0 0 69 -4,-2.2 3,-0.4 1,-0.2 8,-0.1 -0.204 55.3-143.3 -49.1 128.3 62.0 -3.9 19.9 173 177 A G S S+ 0 0 75 1,-0.2 -1,-0.2 220,-0.0 -4,-0.0 0.842 100.4 58.2 -63.9 -32.4 60.0 -7.1 19.2 174 178 A S S S+ 0 0 107 2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.821 85.9 101.0 -66.5 -32.5 63.2 -9.1 19.2 175 179 A S S S- 0 0 21 -3,-0.4 2,-0.1 -6,-0.1 -5,-0.0 -0.218 72.0-128.9 -57.6 140.7 64.0 -7.9 22.8 176 180 A T > - 0 0 74 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.368 31.2-100.9 -81.8 168.1 63.4 -10.3 25.7 177 181 A A H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.943 124.3 49.5 -55.4 -48.5 61.4 -9.1 28.7 178 182 A R H > S+ 0 0 212 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.893 110.0 49.7 -58.4 -44.9 64.6 -8.7 30.7 179 183 A E H > S+ 0 0 99 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.904 111.3 49.0 -63.2 -41.8 66.3 -6.7 27.9 180 184 A A H X S+ 0 0 24 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.909 114.1 45.3 -65.3 -42.3 63.4 -4.3 27.5 181 185 A S H X S+ 0 0 71 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.892 112.2 50.8 -68.9 -40.1 63.1 -3.7 31.2 182 186 A A H X S+ 0 0 61 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.904 112.0 47.6 -63.7 -40.8 66.9 -3.2 31.7 183 187 A A H X S+ 0 0 2 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.896 111.9 51.1 -65.5 -39.6 66.8 -0.7 28.8 184 188 A N H X S+ 0 0 42 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.916 110.1 48.3 -63.1 -45.6 63.8 1.0 30.4 185 189 A Q H X S+ 0 0 93 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.858 107.8 56.8 -63.3 -37.7 65.6 1.3 33.7 186 190 A E H X S+ 0 0 75 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.917 106.2 48.3 -59.9 -47.4 68.7 2.7 32.0 187 191 A L H X S+ 0 0 5 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.884 113.5 47.8 -62.1 -39.6 66.7 5.5 30.5 188 192 A L H X S+ 0 0 24 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.906 111.3 50.8 -68.1 -41.3 65.1 6.3 33.8 189 193 A D H X S+ 0 0 88 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.892 111.7 47.9 -62.2 -41.6 68.5 6.2 35.6 190 194 A Y H X S+ 0 0 52 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.902 110.5 50.8 -66.9 -42.8 70.0 8.6 33.0 191 195 A L H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.871 104.9 57.7 -63.1 -37.6 67.1 11.0 33.3 192 196 A A H X S+ 0 0 40 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.890 107.9 47.2 -59.4 -40.6 67.5 11.0 37.1 193 197 A I H X S+ 0 0 91 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.895 109.4 53.4 -67.3 -43.3 71.1 12.2 36.7 194 198 A L H X S+ 0 0 3 -4,-2.0 4,-3.1 1,-0.2 5,-0.2 0.919 107.4 51.0 -59.4 -45.1 70.1 14.8 34.2 195 199 A V H X S+ 0 0 1 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.928 109.7 50.5 -59.8 -43.8 67.5 16.2 36.6 196 200 A E H X S+ 0 0 90 -4,-1.8 4,-1.1 1,-0.2 3,-0.3 0.947 113.8 45.1 -58.6 -48.5 70.2 16.4 39.3 197 201 A Q H X S+ 0 0 98 -4,-2.6 4,-2.4 1,-0.2 3,-0.5 0.907 113.0 49.2 -62.2 -44.5 72.5 18.2 37.0 198 202 A R H < S+ 0 0 19 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.710 104.6 59.2 -70.3 -21.1 69.9 20.6 35.7 199 203 A L H < S+ 0 0 37 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.802 110.1 44.7 -74.7 -28.9 68.8 21.5 39.2 200 204 A V H < S+ 0 0 112 -4,-1.1 -2,-0.2 -3,-0.5 -3,-0.1 0.940 136.8 4.2 -77.4 -54.4 72.4 22.6 39.9 201 205 A E S < S- 0 0 132 -4,-2.4 -1,-0.3 0, 0.0 -2,-0.2 -0.840 79.6-145.6-138.9 99.9 72.8 24.6 36.7 202 206 A P - 0 0 64 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.272 16.0-169.8 -64.2 147.5 69.8 24.9 34.3 203 207 A K - 0 0 122 2,-0.1 2,-1.6 -5,-0.0 6,-0.0 -0.612 43.7 -75.1-123.5-175.4 70.3 25.0 30.6 204 208 A D S S+ 0 0 150 -2,-0.2 2,-0.3 4,-0.1 -50,-0.1 -0.590 93.2 95.4 -88.3 78.2 67.9 25.8 27.7 205 209 A D S > S- 0 0 14 -2,-1.6 4,-1.7 -52,-0.1 -52,-0.2 -0.947 84.2 -97.4-154.2 172.9 65.9 22.5 27.7 206 210 A I H > S+ 0 0 5 -54,-2.5 4,-2.0 -2,-0.3 5,-0.2 0.922 117.7 51.5 -63.6 -48.3 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