==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLAVOPROTEIN 17-OCT-06 2ISJ . COMPND 2 MOLECULE: BLUB; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR N.A.LARSEN,M.E.TAGA,A.R.HOWARD-JONES,C.T.WALSH,G.C.WALKER . 1752 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62620.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1226 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 214 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 111 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 208 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 567 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.4 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 11 0 0 3 11 2 0 1 7 8 0 0 0 0 1 14 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 8 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 0 PARALLEL BRIDGES PER LADDER . 0 8 0 0 2 14 0 8 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 . 8 0 0 0 8 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 9 A L 0 0 76 0, 0.0 410,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 158.8 11.0 -9.9 -18.2 2 10 A T E -A 410 0A 69 408,-2.2 408,-2.1 1,-0.1 2,-0.1 -0.708 360.0 -77.3-118.9 168.7 7.7 -8.6 -16.8 3 11 A A E +A 409 0A 85 -2,-0.2 2,-0.3 406,-0.2 406,-0.3 -0.374 54.2 169.9 -67.0 142.2 5.8 -5.3 -16.7 4 12 A A + 0 0 24 404,-3.4 2,-0.3 -2,-0.1 3,-0.0 -0.989 10.0 147.9-152.2 157.9 7.1 -2.7 -14.1 5 13 A G - 0 0 29 -2,-0.3 367,-0.4 364,-0.1 368,-0.1 -0.888 52.6 -37.7-166.7-167.1 6.6 0.9 -13.1 6 14 A A - 0 0 58 365,-0.3 365,-0.2 -2,-0.3 364,-0.1 -0.260 61.9-107.7 -68.6 156.6 6.7 3.2 -10.1 7 15 A F - 0 0 7 363,-2.4 -1,-0.1 1,-0.2 2,-0.0 -0.231 44.4 -88.1 -74.4 171.1 5.2 2.1 -6.7 8 16 A S > - 0 0 59 1,-0.1 4,-2.5 -2,-0.0 5,-0.2 -0.288 46.2 -98.1 -73.5 171.2 2.0 3.5 -5.5 9 17 A S H > S+ 0 0 78 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.888 126.4 47.2 -58.3 -42.8 2.2 6.8 -3.5 10 18 A D H > S+ 0 0 136 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.867 111.3 51.5 -68.1 -37.6 1.9 4.8 -0.2 11 19 A E H > S+ 0 0 49 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.901 109.9 48.4 -66.7 -41.6 4.6 2.3 -1.3 12 20 A R H X S+ 0 0 73 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.866 109.9 53.4 -65.9 -36.2 7.1 5.0 -2.3 13 21 A A H X S+ 0 0 59 -4,-1.6 4,-1.3 -5,-0.2 -1,-0.2 0.851 106.8 50.9 -68.5 -35.1 6.5 6.8 1.0 14 22 A A H X S+ 0 0 3 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.879 109.9 51.4 -69.9 -35.0 7.3 3.6 2.9 15 23 A V H X S+ 0 0 6 -4,-1.7 4,-2.0 1,-0.2 3,-0.3 0.954 113.5 42.5 -65.7 -50.2 10.5 3.2 0.9 16 24 A Y H X S+ 0 0 24 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.716 107.6 63.0 -68.9 -21.8 11.6 6.8 1.7 17 25 A R H X S+ 0 0 104 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.912 106.9 42.6 -70.2 -39.4 10.5 6.4 5.3 18 26 A A H X S+ 0 0 1 -4,-1.6 4,-1.7 -3,-0.3 -2,-0.2 0.940 116.2 47.8 -69.0 -48.4 13.1 3.7 5.9 19 27 A I H < S+ 0 0 4 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.906 118.0 43.7 -58.2 -40.5 15.8 5.5 4.0 20 28 A E H < S+ 0 0 96 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.720 120.7 34.6 -82.1 -23.3 15.0 8.7 5.9 21 29 A T H < S+ 0 0 44 -4,-1.8 2,-0.2 -3,-0.1 -2,-0.2 0.520 81.9 113.9-111.5 -4.7 14.6 7.4 9.5 22 30 A R < - 0 0 8 -4,-1.7 2,-0.2 -5,-0.2 124,-0.1 -0.487 47.1-172.0 -67.5 135.5 17.2 4.6 9.7 23 31 A R - 0 0 22 -2,-0.2 2,-0.8 122,-0.1 132,-0.7 -0.746 32.5-109.6-121.4 168.3 19.9 5.5 12.2 24 32 A D B -b 155 0B 28 -2,-0.2 2,-0.4 130,-0.1 132,-0.3 -0.917 45.8-150.3 -98.0 112.8 23.2 4.0 13.2 25 33 A V + 0 0 3 130,-2.3 158,-0.2 -2,-0.8 77,-0.2 -0.716 35.1 152.9 -96.3 139.7 22.4 2.8 16.7 26 34 A R S S+ 0 0 31 -2,-0.4 79,-0.2 75,-0.1 -1,-0.1 0.686 75.6 17.9-123.2 -52.8 24.8 2.4 19.6 27 35 A D S S+ 0 0 70 72,-0.1 -2,-0.1 1,-0.1 75,-0.0 0.417 106.1 72.1-110.9 2.8 23.2 2.7 23.0 28 36 A E + 0 0 15 157,-0.1 160,-0.4 2,-0.0 161,-0.1 0.487 60.5 134.5 -97.8 -1.5 19.4 2.2 22.5 29 37 A F - 0 0 6 -3,-0.1 158,-0.2 158,-0.1 157,-0.1 -0.172 47.5-140.5 -51.5 132.1 19.4 -1.6 21.8 30 38 A L - 0 0 39 156,-2.7 156,-0.2 2,-0.1 -1,-0.1 -0.490 17.6-119.2 -87.5 163.4 16.8 -3.5 23.7 31 39 A P S S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.453 71.2 115.8 -87.1 -0.1 17.7 -7.0 25.2 32 40 A E - 0 0 99 1,-0.1 154,-0.5 154,-0.1 -2,-0.1 -0.518 68.2-120.3 -75.6 131.0 15.3 -9.2 23.3 33 41 A P - 0 0 102 0, 0.0 2,-0.4 0, 0.0 75,-0.1 -0.355 31.8-111.4 -62.3 145.2 16.8 -11.8 21.0 34 42 A L - 0 0 10 150,-0.1 5,-0.1 1,-0.1 150,-0.0 -0.663 39.2-105.9 -80.3 135.2 15.6 -11.4 17.4 35 43 A S > - 0 0 62 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.139 21.4-117.2 -57.7 155.4 13.4 -14.3 16.3 36 44 A E H > S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.882 116.8 53.0 -60.1 -39.4 14.8 -16.8 13.9 37 45 A E H > S+ 0 0 153 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.905 107.6 49.6 -63.8 -43.5 12.2 -15.8 11.4 38 46 A L H > S+ 0 0 6 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.875 109.9 51.8 -64.8 -36.5 13.1 -12.1 11.6 39 47 A I H X S+ 0 0 6 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.925 106.0 52.7 -67.5 -42.5 16.8 -12.9 11.1 40 48 A A H X S+ 0 0 61 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.903 109.2 52.2 -60.0 -37.3 16.2 -15.0 8.0 41 49 A R H X S+ 0 0 95 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.914 109.6 47.9 -64.1 -43.1 14.3 -12.0 6.6 42 50 A L H X S+ 0 0 2 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.887 113.7 45.3 -64.5 -43.8 17.2 -9.6 7.3 43 51 A L H X S+ 0 0 9 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.831 109.8 57.6 -69.0 -33.7 19.8 -11.8 5.7 44 52 A G H X S+ 0 0 18 -4,-1.9 4,-0.7 -5,-0.3 -2,-0.2 0.890 104.8 49.5 -64.8 -40.4 17.5 -12.5 2.8 45 53 A A H >< S+ 0 0 2 -4,-1.7 3,-1.1 1,-0.2 -1,-0.2 0.935 112.5 48.5 -64.1 -43.1 17.2 -8.8 2.0 46 54 A A H >< S+ 0 0 0 -4,-1.6 3,-2.0 1,-0.3 -2,-0.2 0.923 106.5 56.6 -61.8 -44.7 21.0 -8.6 2.1 47 55 A H H 3< S+ 0 0 13 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.635 102.1 58.1 -62.7 -14.3 21.3 -11.6 -0.1 48 56 A Q T << S+ 0 0 42 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.328 79.0 112.7 -99.3 7.1 19.2 -9.8 -2.7 49 57 A A S < S- 0 0 3 -3,-2.0 91,-0.1 1,-0.1 2,-0.1 -0.286 79.1 -95.5 -70.2 165.4 21.6 -6.8 -3.0 50 58 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.395 42.0-166.4 -77.6 162.9 23.3 -6.5 -6.4 51 59 A S > - 0 0 18 -2,-0.1 3,-2.7 -3,-0.1 82,-0.1 -0.957 29.7 -97.1-155.0 135.6 26.9 -7.8 -6.8 52 60 A V G > S- 0 0 20 80,-0.4 3,-2.3 -2,-0.3 4,-0.2 -0.222 110.7 -2.9 -51.9 128.0 29.6 -7.4 -9.4 53 61 A G G 3 S- 0 0 9 1,-0.3 -1,-0.3 2,-0.1 71,-0.2 0.714 119.6 -80.2 59.2 19.7 29.5 -10.3 -11.9 54 62 A F G < S+ 0 0 12 -3,-2.7 -1,-0.3 1,-0.1 -2,-0.2 0.844 90.1 151.4 52.9 35.0 26.7 -11.7 -9.7 55 63 A M < - 0 0 0 -3,-2.3 -2,-0.1 69,-0.2 64,-0.1 0.872 36.5-158.5 -62.4 -44.6 29.7 -12.8 -7.6 56 64 A Q + 0 0 1 -4,-0.2 63,-0.1 1,-0.1 -5,-0.1 0.940 16.6 179.1 58.4 50.1 27.7 -12.7 -4.3 57 65 A P + 0 0 0 0, 0.0 58,-3.2 0, 0.0 2,-0.1 0.427 37.1 112.7 -62.2 -3.5 31.1 -12.4 -2.3 58 66 A W E +C 114 0B 0 56,-0.2 2,-0.3 -11,-0.0 56,-0.2 -0.398 37.5 175.8 -87.4 154.0 29.4 -12.3 1.1 59 67 A N E -C 113 0B 4 54,-0.9 54,-2.3 -2,-0.1 2,-0.4 -0.953 18.2-145.9-142.1 152.7 29.2 -14.5 4.1 60 68 A F E -Cd 112 431B 1 370,-3.4 372,-3.3 -2,-0.3 2,-0.7 -0.975 4.6-162.2-131.1 120.5 27.5 -13.7 7.4 61 69 A V E -Cd 111 432B 0 50,-1.7 50,-1.8 -2,-0.4 2,-0.5 -0.901 16.1-145.8-103.1 117.1 28.8 -14.9 10.8 62 70 A L E -Cd 110 433B 4 370,-3.7 372,-4.3 -2,-0.7 2,-0.6 -0.710 12.9-164.7 -84.8 125.9 26.0 -14.7 13.5 63 71 A V E +C 109 0B 0 46,-2.6 46,-1.4 -2,-0.5 370,-0.0 -0.920 27.9 146.0-116.6 108.6 27.4 -13.8 16.9 64 72 A R + 0 0 82 -2,-0.6 2,-0.4 44,-0.2 -1,-0.1 0.216 38.6 101.6-127.7 17.6 25.1 -14.3 19.9 65 73 A Q > - 0 0 98 1,-0.1 4,-2.7 369,-0.1 5,-0.2 -0.840 63.9-138.6-108.0 142.6 27.4 -15.3 22.8 66 74 A D H > S+ 0 0 99 -2,-0.4 4,-3.0 1,-0.2 5,-0.2 0.906 105.4 57.2 -58.0 -44.6 28.5 -13.1 25.7 67 75 A E H > S+ 0 0 117 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.928 110.8 41.4 -52.9 -51.1 32.0 -14.6 25.5 68 76 A T H > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.927 113.4 53.0 -66.6 -43.5 32.4 -13.7 21.9 69 77 A R H X S+ 0 0 23 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.909 108.7 51.7 -57.7 -40.5 30.8 -10.2 22.4 70 78 A E H X S+ 0 0 94 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.917 109.1 48.5 -62.6 -45.7 33.3 -9.6 25.2 71 79 A K H X S+ 0 0 54 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.902 114.9 46.1 -61.9 -42.2 36.3 -10.5 23.1 72 80 A V H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.936 110.3 52.4 -67.1 -47.7 35.1 -8.3 20.3 73 81 A W H X S+ 0 0 43 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.883 109.0 50.2 -57.2 -40.4 34.3 -5.4 22.6 74 82 A Q H X S+ 0 0 40 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.868 106.9 54.2 -66.8 -34.7 37.8 -5.5 24.2 75 83 A A H X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 87,-0.3 0.827 109.1 51.0 -65.7 -30.8 39.3 -5.5 20.7 76 84 A F H X S+ 0 0 4 -4,-1.6 4,-3.6 2,-0.2 -2,-0.2 0.921 107.0 52.1 -70.1 -46.8 37.2 -2.3 20.2 77 85 A Q H X S+ 0 0 78 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.898 108.7 50.1 -55.4 -47.1 38.5 -0.7 23.4 78 86 A R H X S+ 0 0 19 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.924 117.3 40.8 -58.4 -46.4 42.2 -1.3 22.4 79 87 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 81,-0.2 -2,-0.2 0.878 112.4 55.0 -71.3 -39.8 41.5 0.3 19.0 80 88 A N H X S+ 0 0 25 -4,-3.6 4,-2.8 80,-0.3 -2,-0.2 0.862 105.5 50.1 -65.9 -36.3 39.3 3.1 20.3 81 89 A D H X S+ 0 0 23 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.905 111.3 51.9 -66.9 -37.9 41.8 4.4 22.8 82 90 A E H < S+ 0 0 45 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.944 111.0 45.7 -60.8 -48.9 44.3 4.4 19.9 83 91 A A H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.917 109.9 57.1 -60.0 -41.3 41.8 6.4 17.8 84 92 A A H >< S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.867 100.3 56.1 -56.8 -41.5 41.2 8.6 20.8 85 93 A E T 3< S+ 0 0 98 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.340 92.0 73.2 -76.4 8.0 44.9 9.5 21.0 86 94 A M T < S+ 0 0 79 -3,-1.8 -1,-0.3 -5,-0.1 2,-0.2 0.431 95.0 61.7 -97.7 -2.8 44.8 10.7 17.4 87 95 A F < - 0 0 19 -3,-1.5 2,-0.3 -4,-0.2 3,-0.0 -0.729 69.6-155.8-117.6 168.0 42.9 13.8 18.5 88 96 A S >> - 0 0 90 -2,-0.2 4,-1.6 4,-0.0 3,-0.8 -0.825 46.5 -3.9-138.5 175.9 43.7 16.7 20.8 89 97 A G H 3> S- 0 0 50 -2,-0.3 4,-1.7 1,-0.2 3,-0.5 0.001 122.7 -13.9 41.9-135.1 42.2 19.4 23.1 90 98 A E H 3> S+ 0 0 177 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.781 133.5 60.9 -68.2 -31.4 38.4 19.6 23.0 91 99 A R H <> S+ 0 0 94 -3,-0.8 4,-1.1 2,-0.2 -1,-0.2 0.789 108.6 45.3 -67.8 -26.8 37.9 17.4 19.9 92 100 A Q H X S+ 0 0 40 -4,-1.6 4,-2.1 -3,-0.5 -2,-0.2 0.886 111.3 51.7 -79.9 -43.3 39.6 14.5 21.8 93 101 A A H < S+ 0 0 59 -4,-1.7 4,-0.4 1,-0.2 -2,-0.2 0.905 112.3 47.5 -58.4 -41.1 37.5 15.2 24.9 94 102 A K H >< S+ 0 0 71 -4,-2.5 3,-0.7 1,-0.2 4,-0.5 0.833 107.8 55.9 -69.0 -34.3 34.5 15.1 22.7 95 103 A Y H >< S+ 0 0 0 -4,-1.1 3,-0.8 1,-0.2 -2,-0.2 0.853 103.6 53.5 -66.1 -37.3 35.6 11.9 21.1 96 104 A R T 3< S+ 0 0 104 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.603 104.4 57.8 -74.7 -10.2 35.9 10.2 24.4 97 105 A S T < S+ 0 0 71 -3,-0.7 -1,-0.2 -4,-0.4 2,-0.2 0.576 87.5 95.1 -95.4 -10.6 32.3 11.1 25.2 98 106 A L S < S- 0 0 17 -3,-0.8 2,-0.7 -4,-0.5 98,-0.0 -0.523 71.4-133.7 -82.3 145.5 30.8 9.4 22.1 99 107 A K + 0 0 51 -2,-0.2 -72,-0.1 1,-0.1 3,-0.1 -0.898 28.0 174.6 -97.6 121.8 29.3 6.0 22.2 100 108 A L + 0 0 13 -2,-0.7 2,-0.3 1,-0.1 60,-0.3 0.150 58.5 21.1-114.2 16.7 30.7 4.3 19.1 101 109 A E - 0 0 18 57,-0.1 -75,-0.1 58,-0.1 -1,-0.1 -0.957 44.1-157.9-172.8 161.3 29.4 0.7 19.5 102 110 A G > + 0 0 2 -2,-0.3 4,-3.2 -77,-0.2 3,-0.4 -0.055 46.7 136.8-138.3 29.5 26.8 -1.4 21.2 103 111 A I T 4 S+ 0 0 0 1,-0.2 81,-0.1 2,-0.2 -33,-0.1 0.821 73.5 37.1 -48.0 -50.5 28.6 -4.7 21.1 104 112 A R T 4 S+ 0 0 137 1,-0.1 -1,-0.2 -35,-0.1 -34,-0.1 0.744 122.2 46.5 -79.5 -21.2 27.9 -6.1 24.6 105 113 A K T 4 S+ 0 0 94 -3,-0.4 -2,-0.2 -79,-0.2 -1,-0.1 0.814 89.1 86.6 -89.3 -38.7 24.4 -4.7 24.7 106 114 A A S < S- 0 0 0 -4,-3.2 79,-0.2 1,-0.2 78,-0.1 -0.526 72.3-141.7 -69.6 126.5 23.0 -5.7 21.3 107 115 A P S S+ 0 0 22 0, 0.0 2,-0.3 0, 0.0 78,-0.2 0.635 85.2 36.7 -62.8 -13.6 21.5 -9.2 21.5 108 116 A L E - E 0 184B 4 76,-1.8 76,-4.1 -75,-0.1 2,-0.3 -1.000 61.2-178.2-145.0 142.0 22.8 -9.9 18.1 109 117 A S E -CE 63 183B 0 -46,-1.4 -46,-2.6 -2,-0.3 2,-0.4 -0.961 8.6-160.5-134.4 152.6 25.9 -9.0 16.0 110 118 A I E -CE 62 182B 1 72,-2.6 72,-2.8 -2,-0.3 2,-0.7 -0.981 8.1-156.2-140.8 126.6 26.8 -9.9 12.5 111 119 A C E -CE 61 181B 0 -50,-1.8 -50,-1.7 -2,-0.4 2,-0.5 -0.891 17.4-158.5-103.3 107.2 30.2 -9.8 10.8 112 120 A V E -CE 60 180B 1 68,-2.1 67,-2.5 -2,-0.7 68,-1.8 -0.763 15.1-173.3 -90.5 125.6 29.7 -9.4 7.1 113 121 A T E -CE 59 178B 0 -54,-2.3 -54,-0.9 -2,-0.5 2,-0.4 -0.690 22.0-140.0-119.2 170.2 32.6 -10.6 5.0 114 122 A C E -CE 58 177B 0 63,-2.3 63,-2.9 -2,-0.2 2,-1.0 -0.987 13.4-144.9-131.6 117.9 33.8 -10.6 1.3 115 123 A D E > - 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0 0 7 -4,-1.9 2,-0.3 -5,-0.2 124,-0.1 -0.273 50.5-167.6 -57.9 145.9 26.3 38.6 17.1 1123 31 F R - 0 0 21 122,-0.1 2,-1.0 132,-0.1 132,-0.8 -0.964 31.6-110.1-136.3 152.5 23.3 37.7 15.0 1124 32 F D B -g 1255 0L 26 -2,-0.3 2,-0.3 130,-0.1 132,-0.3 -0.755 46.5-152.7 -81.3 107.7 21.7 39.1 11.9 1125 33 F V + 0 0 3 130,-2.2 158,-0.2 -2,-1.0 77,-0.2 -0.647 34.8 151.2 -88.4 141.6 18.5 40.4 13.5 1126 34 F R S S+ 0 0 32 -2,-0.3 79,-0.2 75,-0.1 -1,-0.1 0.591 75.0 21.8-130.5 -47.3 15.2 40.8 11.6 1127 35 F D S S+ 0 0 57 1,-0.1 -2,-0.1 72,-0.1 75,-0.0 0.217 106.4 68.7-118.3 16.3 12.2 40.4 13.9 1128 36 F E + 0 0 37 157,-0.1 160,-0.3 2,-0.1 161,-0.2 0.340 61.4 133.5-115.6 7.3 13.3 41.1 17.4 1129 37 F F - 0 0 8 -3,-0.1 158,-0.2 158,-0.1 157,-0.1 -0.251 49.3-136.7 -57.2 143.5 14.0 44.9 17.3 1130 38 F L - 0 0 42 156,-1.9 156,-0.1 2,-0.2 -1,-0.1 -0.725 12.6-126.5 -99.0 152.7 12.6 46.9 20.1 1131 39 F P S S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.575 73.1 114.4 -77.7 -6.0 10.9 50.2 19.4 1132 40 F E - 0 0 91 1,-0.1 154,-0.5 154,-0.1 -2,-0.2 -0.515 69.2-123.2 -70.2 119.3 13.0 52.2 21.9 1133 41 F P - 0 0 102 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.118 23.9-106.5 -59.2 155.8 15.2 54.8 19.9 1134 42 F L - 0 0 16 73,-0.1 2,-0.0 1,-0.1 150,-0.0 -0.634 34.1-110.9 -86.7 141.7 19.0 54.8 20.2 1135 43 F S > - 0 0 55 -2,-0.3 4,-1.8 1,-0.1 3,-0.3 -0.366 23.5-119.8 -68.0 152.7 20.6 57.6 22.1 1136 44 F E H > S+ 0 0 93 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.759 116.1 54.3 -64.9 -23.4 22.6 60.1 20.0 1137 45 F E H > S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.803 105.2 51.2 -79.7 -32.1 25.6 59.1 22.1 1138 46 F L H > S+ 0 0 5 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.854 110.1 50.1 -72.4 -36.7 25.2 55.4 21.3 1139 47 F I H X S+ 0 0 6 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.914 106.4 54.6 -68.2 -44.0 25.0 56.1 17.6 1140 48 F A H X S+ 0 0 58 -4,-1.5 4,-2.9 1,-0.2 -1,-0.2 0.912 108.5 51.1 -56.2 -40.4 28.1 58.2 17.7 1141 49 F R H X S+ 0 0 105 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.929 111.0 45.5 -62.6 -48.3 29.9 55.2 19.3 1142 50 F L H X S+ 0 0 2 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.899 115.3 47.7 -62.6 -42.3 28.7 52.7 16.6 1143 51 F L H X S+ 0 0 9 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.925 110.8 52.5 -65.6 -42.0 29.6 55.2 13.9 1144 52 F G H X S+ 0 0 20 -4,-2.9 4,-1.0 -5,-0.3 -2,-0.2 0.941 107.2 51.0 -57.6 -50.1 33.0 55.8 15.5 1145 53 F A H >< S+ 0 0 2 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.880 111.3 48.9 -55.1 -41.7 33.8 52.1 15.7 1146 54 F A H >< S+ 0 0 0 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.846 106.6 55.4 -67.9 -34.9 33.0 51.7 11.9 1147 55 F H H 3< S+ 0 0 16 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.656 99.5 63.2 -71.9 -15.2 35.1 54.8 11.1 1148 56 F Q T << S+ 0 0 50 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.284 81.6 114.8 -90.0 7.9 38.0 52.9 12.9 1149 57 F A S < S- 0 0 1 -3,-1.4 91,-0.1 1,-0.1 7,-0.1 -0.422 75.2-103.6 -77.6 155.1 37.8 50.2 10.2 1150 58 F P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 89,-0.1 -0.263 39.6-173.3 -71.3 166.8 40.7 49.6 7.8 1151 59 F S > - 0 0 17 5,-0.1 3,-2.3 88,-0.1 82,-0.1 -0.895 33.4 -91.9-165.3 134.1 40.4 50.9 4.2 1152 60 F V G > S- 0 0 18 80,-0.4 3,-2.8 1,-0.3 4,-0.2 -0.160 112.0 -3.1 -48.8 132.5 42.5 50.5 1.1 1153 61 F G G 3 S- 0 0 7 1,-0.3 -1,-0.3 2,-0.1 71,-0.2 0.800 119.5 -79.8 51.0 30.5 45.0 53.4 0.8 1154 62 F F G < S+ 0 0 12 -3,-2.3 -1,-0.3 1,-0.1 -2,-0.2 0.823 89.8 152.6 43.8 35.4 43.4 54.7 3.9 1155 63 F M < - 0 0 0 -3,-2.8 -2,-0.1 69,-0.2 -1,-0.1 0.802 36.3-157.1 -61.7 -37.3 40.7 55.9 1.4 1156 64 F Q + 0 0 0 -4,-0.2 63,-0.1 1,-0.1 -5,-0.1 0.958 18.9 176.5 51.2 58.2 37.9 55.9 4.0 1157 65 F P + 0 0 0 0, 0.0 58,-3.3 0, 0.0 -1,-0.1 0.494 35.9 112.7 -70.5 -7.9 35.3 55.5 1.1 1158 66 F W E + H 01214L 0 56,-0.2 2,-0.3 54,-0.0 56,-0.2 -0.285 38.6 179.0 -79.3 154.1 32.3 55.2 3.5 1159 67 F N E - H 01213L 2 54,-1.1 54,-1.6 -2,-0.1 2,-0.4 -0.925 16.9-144.5-140.1 159.3 29.3 57.4 4.2 1160 68 F F E -fH10911212L 1 -70,-3.0 -68,-3.8 -2,-0.3 2,-0.7 -0.977 7.3-167.5-135.8 119.0 26.4 56.8 6.6 1161 69 F V E -fH10921211L 0 50,-1.8 50,-2.4 -2,-0.4 2,-0.5 -0.934 18.2-146.8-106.6 110.7 22.8 58.0 5.8 1162 70 F L E -fH10931210L 2 -70,-3.7 -68,-3.6 -2,-0.7 2,-0.5 -0.691 10.3-161.4 -84.4 122.8 20.7 57.7 9.0 1163 71 F V E + H 01209L 0 46,-3.0 46,-1.8 -2,-0.5 -70,-0.0 -0.907 31.4 143.4-106.5 122.7 17.1 56.8 8.4 1164 72 F R + 0 0 83 -2,-0.5 2,-0.4 44,-0.2 -1,-0.1 0.256 42.0 100.2-139.1 7.8 14.6 57.5 11.2 1165 73 F Q > - 0 0 101 1,-0.1 4,-2.1 -71,-0.0 5,-0.2 -0.801 63.5-140.8-103.3 143.4 11.4 58.6 9.3 1166 74 F D H > S+ 0 0 114 -2,-0.4 4,-3.2 1,-0.2 5,-0.3 0.924 101.4 57.5 -64.5 -46.3 8.4 56.4 8.7 1167 75 F E H > S+ 0 0 131 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.866 110.0 45.9 -53.8 -37.7 7.8 57.8 5.2 1168 76 F T H > S+ 0 0 16 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.934 114.7 46.1 -71.5 -45.9 11.3 56.8 4.2 1169 77 F R H X S+ 0 0 28 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.810 109.5 55.9 -66.5 -29.6 11.0 53.3 5.8 1170 78 F E H X S+ 0 0 75 -4,-3.2 4,-1.7 2,-0.2 -1,-0.2 0.941 112.4 42.0 -67.2 -46.7 7.6 52.9 4.2 1171 79 F K H X S+ 0 0 99 -4,-1.8 4,-2.0 -5,-0.3 3,-0.3 0.963 114.6 50.0 -64.0 -52.0 9.1 53.5 0.8 1172 80 F V H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.3 -2,-0.2 0.895 109.3 52.1 -54.7 -42.3 12.2 51.4 1.4 1173 81 F W H X S+ 0 0 43 -4,-2.4 4,-2.5 1,-0.2 -1,-0.3 0.890 107.9 52.3 -61.6 -38.6 10.1 48.5 2.6 1174 82 F Q H X S+ 0 0 87 -4,-1.7 4,-2.0 -3,-0.3 -1,-0.2 0.851 106.5 52.0 -65.5 -35.1 8.1 48.8 -0.6 1175 83 F A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.879 109.9 51.9 -67.1 -35.5 11.3 48.6 -2.6 1176 84 F F H X S+ 0 0 5 -4,-2.0 4,-3.0 -5,-0.2 -2,-0.2 0.938 106.8 51.2 -64.4 -48.9 12.0 45.5 -0.5 1177 85 F Q H X S+ 0 0 62 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.881 107.4 53.6 -56.9 -42.5 8.6 43.9 -1.3 1178 86 F R H >X S+ 0 0 116 -4,-2.0 4,-1.2 1,-0.2 3,-0.5 0.994 114.1 41.2 -53.7 -65.6 9.1 44.4 -5.0 1179 87 F A H 3X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 3,-0.3 0.847 112.9 54.3 -49.7 -45.1 12.5 42.7 -5.0 1180 88 F N H 3X S+ 0 0 20 -4,-3.0 4,-2.7 80,-0.3 5,-0.3 0.894 103.3 54.9 -62.3 -41.0 11.3 39.9 -2.6 1181 89 F D H << S+ 0 0 87 -4,-2.3 4,-0.4 -3,-0.5 -1,-0.2 0.829 111.8 43.9 -62.7 -33.0 8.4 38.8 -4.8 1182 90 F E H < S+ 0 0 74 -4,-1.2 4,-0.3 -3,-0.3 -1,-0.2 0.802 112.2 53.0 -82.1 -28.1 10.6 38.3 -7.8 1183 91 F A H >< S+ 0 0 0 -4,-1.7 3,-2.3 1,-0.2 4,-0.3 0.942 106.9 50.2 -69.9 -47.5 13.2 36.5 -5.8 1184 92 F A G >< S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.3 -1,-0.2 0.766 104.0 63.5 -59.7 -23.2 10.8 34.0 -4.3 1185 93 F E G 3 S+ 0 0 131 -4,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 0.637 91.9 62.6 -75.8 -15.3 9.8 33.6 -8.0 1186 94 F M G < S+ 0 0 92 -3,-2.3 2,-0.4 -4,-0.3 -1,-0.2 0.472 96.2 72.8 -87.6 -3.6 13.3 32.2 -8.7 1187 95 F F S < S- 0 0 23 -3,-1.0 2,-0.3 -4,-0.3 0, 0.0 -0.873 71.4-156.2-111.5 145.2 12.6 29.3 -6.3 1188 96 F S >> - 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