==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-MAR-10 3M0Y . COMPND 2 MOLECULE: L-RHAMNOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS STUTZERI; . AUTHOR H.YOSHIDA,K.TAKEDA,K.IZUMORI,S.KAMITORI . 1689 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51947.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1189 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 141 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 93 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 154 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 704 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 1.9 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 0 0 0 0 11 5 8 8 4 0 0 3 4 5 0 0 1 7 0 0 0 0 0 0 4 0 0 RESIDUES PER ALPHA HELIX . 9 11 0 17 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 . 8 5 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 0 0 0 3 1 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 4 A F 0 0 165 0, 0.0 4,-0.1 0, 0.0 83,-0.1 0.000 360.0 360.0 360.0 113.9 17.8 30.2 35.9 2 5 A R + 0 0 40 1,-0.1 2,-0.5 114,-0.1 82,-0.1 0.894 360.0 42.8 -60.3 -41.7 19.2 32.7 38.5 3 6 A I S S- 0 0 2 81,-0.1 -1,-0.1 404,-0.0 5,-0.1 -0.936 102.7-107.8-109.8 126.5 22.7 31.6 37.6 4 7 A A >> - 0 0 46 -2,-0.5 4,-1.6 1,-0.1 3,-0.8 -0.246 21.6-135.9 -53.3 130.9 23.6 31.2 33.9 5 8 A Q H 3> S+ 0 0 118 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.827 103.2 59.1 -60.1 -33.6 23.9 27.6 33.1 6 9 A D H 3> S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.842 103.3 53.7 -65.9 -30.2 27.1 28.2 31.0 7 10 A V H <> S+ 0 0 18 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.941 111.0 44.8 -67.1 -46.9 28.7 29.7 34.1 8 11 A V H X S+ 0 0 11 -4,-1.6 4,-2.8 2,-0.2 389,-0.2 0.942 114.7 48.1 -61.9 -49.4 27.9 26.5 36.1 9 12 A A H X S+ 0 0 45 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.924 112.2 49.9 -57.5 -46.1 29.1 24.2 33.3 10 13 A R H X S+ 0 0 123 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.928 114.2 43.7 -59.0 -49.0 32.3 26.3 32.8 11 14 A E H X S+ 0 0 14 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.857 114.0 51.1 -67.1 -35.2 33.1 26.2 36.6 12 15 A N H X S+ 0 0 22 -4,-2.8 4,-0.6 -5,-0.2 3,-0.5 0.921 110.2 48.8 -67.4 -43.5 32.2 22.5 36.8 13 16 A D H >X S+ 0 0 116 -4,-2.8 3,-0.6 1,-0.2 4,-0.5 0.857 105.1 58.7 -64.1 -36.7 34.4 21.6 33.8 14 17 A R H 3< S+ 0 0 155 -4,-1.8 -1,-0.2 1,-0.2 4,-0.2 0.814 117.3 33.1 -62.1 -31.1 37.4 23.5 35.3 15 18 A R H 3X S+ 0 0 59 -4,-1.0 4,-2.2 -3,-0.5 -1,-0.2 0.362 91.6 98.9-107.5 3.5 37.2 21.3 38.4 16 19 A A H S+ 0 0 37 -4,-0.2 4,-2.3 1,-0.2 5,-0.2 0.877 111.5 52.0 -63.7 -39.0 40.3 17.1 40.3 19 22 A L H X S+ 0 0 16 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.912 107.8 53.3 -64.2 -41.0 36.9 15.9 41.4 20 23 A K H X S+ 0 0 107 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.951 110.9 45.7 -57.5 -52.2 37.4 12.7 39.4 21 24 A E H X S+ 0 0 83 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.914 117.4 42.7 -58.9 -47.0 40.7 12.0 41.1 22 25 A D H X S+ 0 0 38 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.906 115.3 48.5 -68.7 -43.3 39.5 12.7 44.6 23 26 A Y H X S+ 0 0 29 -4,-3.1 4,-2.9 -5,-0.2 -2,-0.2 0.937 114.0 45.4 -63.5 -47.4 36.2 10.9 44.2 24 27 A E H X S+ 0 0 99 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.824 113.7 50.6 -66.8 -30.7 37.8 7.8 42.8 25 28 A A H X S+ 0 0 33 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.924 113.7 44.5 -71.2 -44.0 40.5 7.9 45.5 26 29 A L H X S+ 0 0 18 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.883 111.0 55.7 -65.8 -37.9 37.8 8.2 48.2 27 30 A G H X S+ 0 0 14 -4,-2.9 4,-2.1 1,-0.2 10,-0.3 0.891 108.7 45.7 -61.7 -41.0 35.8 5.5 46.5 28 31 A A H X S+ 0 0 43 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.887 113.1 50.2 -69.0 -40.8 38.7 3.0 46.6 29 32 A N H X S+ 0 0 24 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.906 112.4 46.9 -64.3 -42.5 39.5 3.9 50.2 30 33 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 3,-0.8 0.892 108.2 56.2 -67.1 -38.0 35.8 3.4 51.2 31 34 A A H ><5S+ 0 0 62 -4,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.906 103.6 53.8 -59.4 -42.2 35.7 0.1 49.3 32 35 A R H 3<5S+ 0 0 105 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.730 109.2 50.4 -63.2 -21.9 38.6 -1.1 51.4 33 36 A R T <<5S- 0 0 86 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.345 123.5-106.8 -97.2 3.5 36.5 -0.2 54.4 34 37 A G T < 5S+ 0 0 72 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.714 78.6 128.1 79.7 20.5 33.5 -2.1 53.0 35 38 A V < - 0 0 36 -5,-2.8 2,-0.9 -8,-0.1 -1,-0.3 -0.912 55.8-137.8-113.6 138.7 31.5 1.0 52.1 36 39 A D >> - 0 0 104 -2,-0.4 4,-1.5 1,-0.2 3,-1.1 -0.828 10.7-161.5 -94.8 103.8 29.9 1.6 48.7 37 40 A I H 3> S+ 0 0 18 -2,-0.9 4,-2.7 -10,-0.3 5,-0.2 0.802 89.5 59.7 -55.5 -31.4 30.6 5.3 47.9 38 41 A E H 3> S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.868 103.0 51.5 -66.0 -35.6 27.8 5.2 45.3 39 42 A A H <> S+ 0 0 52 -3,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.869 111.3 47.4 -68.4 -37.7 25.3 4.3 47.9 40 43 A V H X S+ 0 0 9 -4,-1.5 4,-2.9 2,-0.2 3,-0.4 0.935 111.7 49.9 -69.2 -45.7 26.4 7.2 50.1 41 44 A T H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.906 107.3 55.9 -59.3 -40.6 26.3 9.7 47.2 42 45 A A H < S+ 0 0 40 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.827 112.9 40.5 -62.3 -33.3 22.8 8.5 46.3 43 46 A K H >< S+ 0 0 75 -4,-1.2 3,-1.4 -3,-0.4 -2,-0.2 0.886 112.2 55.1 -82.1 -39.8 21.6 9.3 49.8 44 47 A V H >< S+ 0 0 0 -4,-2.9 3,-2.4 1,-0.3 -2,-0.2 0.933 101.3 57.9 -57.1 -47.8 23.5 12.5 50.2 45 48 A E T 3< S+ 0 0 42 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.631 107.7 49.8 -61.4 -10.7 22.0 14.0 47.0 46 49 A K T < S+ 0 0 146 -3,-1.4 2,-0.7 -5,-0.2 -1,-0.3 0.295 82.1 106.9-109.9 7.8 18.6 13.5 48.5 47 50 A F < - 0 0 16 -3,-2.4 2,-0.3 -4,-0.2 297,-0.1 -0.792 50.6-175.3 -90.3 118.2 19.2 15.2 51.9 48 51 A F - 0 0 91 -2,-0.7 2,-0.4 44,-0.1 44,-0.2 -0.870 14.7-170.7-117.4 148.1 17.5 18.5 52.0 49 52 A V - 0 0 2 42,-2.6 45,-0.3 -2,-0.3 273,-0.3 -0.999 27.9-116.6-135.1 135.7 17.5 21.3 54.5 50 53 A A B -a 322 0A 2 271,-3.3 273,-2.6 -2,-0.4 45,-0.2 -0.457 22.2-136.8 -74.6 144.3 15.1 24.3 54.5 51 54 A V E -h 95 0B 1 43,-2.3 45,-2.7 271,-0.2 2,-0.5 -0.854 18.9-121.6-102.6 134.4 16.6 27.8 54.1 52 55 A P E > -h 96 0B 0 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.628 6.7-148.4 -78.3 122.5 15.2 30.7 56.2 53 56 A S G > S+ 0 0 0 43,-2.3 3,-1.1 -2,-0.5 4,-0.3 0.862 100.0 60.3 -55.8 -34.3 13.8 33.6 54.3 54 57 A W G 3 S+ 0 0 49 42,-0.3 -1,-0.3 1,-0.2 43,-0.1 0.477 99.3 56.2 -74.6 -2.0 15.0 35.8 57.1 55 58 A G G < S+ 0 0 0 -3,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.436 84.6 78.3-108.6 -1.7 18.6 34.8 56.6 56 59 A V S < S+ 0 0 1 -3,-1.1 2,-0.3 -4,-0.4 277,-0.3 0.668 90.6 62.8 -80.1 -17.1 19.0 35.8 53.0 57 60 A G S S- 0 0 11 -4,-0.3 270,-0.5 275,-0.1 2,-0.1 -0.720 107.0 -85.4-102.6 158.6 19.3 39.4 54.0 58 61 A T - 0 0 8 -2,-0.3 270,-0.2 268,-0.1 -2,-0.1 -0.379 47.2-145.5 -65.2 138.3 22.2 40.6 56.2 59 62 A G - 0 0 17 268,-2.1 7,-0.6 -4,-0.1 2,-0.3 -0.256 15.6-170.4 -94.1-174.9 21.6 40.2 59.9 60 63 A G B -J 65 0C 22 5,-0.2 5,-0.2 -2,-0.1 2,-0.2 -0.952 17.0-117.1-162.5 179.4 22.7 42.3 62.8 61 64 A T - 0 0 23 3,-2.4 3,-0.2 -2,-0.3 422,-0.0 -0.566 45.9 -90.0-117.6-177.2 22.9 42.6 66.6 62 65 A R S S+ 0 0 74 1,-0.2 3,-0.1 -2,-0.2 420,-0.1 0.637 126.3 55.3 -70.9 -10.8 21.4 45.0 69.2 63 66 A F S S- 0 0 48 1,-0.3 2,-0.3 537,-0.0 -1,-0.2 0.810 121.7 -35.4 -90.3 -33.3 24.4 47.2 68.6 64 67 A A - 0 0 21 -3,-0.2 -3,-2.4 487,-0.1 2,-0.4 -0.961 40.2-133.9 179.7 163.0 24.3 47.6 64.8 65 68 A R B -J 60 0C 128 -2,-0.3 487,-0.2 -5,-0.2 -5,-0.2 -0.998 11.9-165.1-131.8 131.8 23.5 46.2 61.4 66 69 A F - 0 0 30 -7,-0.6 -7,-0.1 -2,-0.4 -2,-0.0 -0.777 17.9-156.1-120.6 84.9 25.9 46.6 58.5 67 70 A P - 0 0 71 0, 0.0 2,-0.1 0, 0.0 494,-0.1 -0.161 3.8-142.0 -60.2 151.7 24.0 45.8 55.3 68 71 A G - 0 0 33 1,-0.2 3,-0.5 262,-0.1 2,-0.2 -0.207 37.7 -70.4 -97.2-165.5 25.7 44.6 52.1 69 72 A T S S+ 0 0 88 1,-0.2 -1,-0.2 -2,-0.1 344,-0.1 -0.529 110.8 21.5 -88.4 158.8 24.8 45.6 48.6 70 73 A G S S- 0 0 7 346,-0.3 -1,-0.2 343,-0.3 343,-0.1 0.855 76.7-174.5 55.5 40.5 21.7 44.3 46.8 71 74 A E - 0 0 31 -3,-0.5 -1,-0.2 345,-0.1 -14,-0.1 -0.462 36.3-100.7 -65.3 134.2 19.8 43.5 50.0 72 75 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.304 27.5-150.3 -57.7 138.1 16.5 41.8 49.1 73 76 A R - 0 0 151 -3,-0.1 2,-0.2 1,-0.1 -2,-0.1 0.798 66.9 -19.1 -82.1 -31.6 13.6 44.3 49.3 74 77 A G S > S- 0 0 33 28,-0.0 4,-1.9 0, 0.0 5,-0.1 -0.808 89.5 -62.8-154.9-164.6 10.9 41.9 50.2 75 78 A I H > S+ 0 0 12 -2,-0.2 4,-2.3 26,-0.2 5,-0.2 0.818 126.4 55.8 -64.6 -31.6 9.9 38.2 50.2 76 79 A F H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 108.0 46.4 -69.4 -41.4 10.0 38.0 46.4 77 80 A D H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 112.7 53.3 -62.9 -40.9 13.6 39.2 46.2 78 81 A K H X S+ 0 0 38 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.890 107.6 48.5 -61.1 -42.3 14.4 36.7 49.0 79 82 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.904 108.7 55.4 -65.1 -39.4 12.9 33.8 47.1 80 83 A D H X S+ 0 0 21 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.912 110.7 44.7 -58.1 -43.0 14.9 34.9 44.1 81 84 A D H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 3,-0.4 0.858 109.3 55.0 -71.4 -34.1 18.0 34.7 46.2 82 85 A C H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.860 100.4 61.7 -65.5 -33.5 17.0 31.4 47.7 83 86 A A H X S+ 0 0 7 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.847 100.7 54.0 -60.4 -33.6 16.7 30.0 44.2 84 87 A V H X S+ 0 0 0 -4,-0.9 4,-2.3 -3,-0.4 5,-0.3 0.935 107.3 49.6 -65.5 -46.1 20.4 30.7 43.8 85 88 A I H X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 5,-0.4 0.906 114.9 44.1 -60.3 -42.9 21.2 28.7 46.9 86 89 A Q H X S+ 0 0 25 -4,-2.3 4,-2.6 6,-0.2 -2,-0.2 0.931 111.3 52.8 -68.9 -45.4 19.1 25.7 45.6 87 90 A Q H < S+ 0 0 19 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.903 118.0 37.0 -56.9 -43.8 20.4 25.9 42.0 88 91 A L H < S+ 0 0 0 -4,-2.3 308,-2.4 307,-0.2 -1,-0.2 0.830 131.3 25.9 -81.2 -35.1 24.0 25.7 43.2 89 92 A T H < S- 0 0 0 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.748 79.0-153.0 -99.2 -27.4 23.8 23.4 46.1 90 93 A R S < S+ 0 0 64 -4,-2.6 -4,-0.1 -5,-0.4 -3,-0.1 0.696 74.6 96.8 59.5 21.8 20.7 21.3 45.2 91 94 A A S S+ 0 0 1 -6,-0.4 -42,-2.6 1,-0.1 3,-0.1 0.358 70.3 59.2-117.7 0.4 20.3 20.8 49.0 92 95 A T + 0 0 2 -44,-0.2 -6,-0.2 -6,-0.1 -41,-0.1 -0.432 50.0 147.9-131.2 60.2 17.8 23.6 49.7 93 96 A P + 0 0 22 0, 0.0 26,-2.7 0, 0.0 2,-0.4 0.717 63.4 61.1 -66.7 -20.5 14.6 23.0 47.7 94 97 A N E - i 0 119B 50 -45,-0.3 -43,-2.3 24,-0.2 2,-0.4 -0.872 66.1-150.9-117.5 147.0 12.4 24.5 50.4 95 98 A V E -hi 51 120B 0 24,-2.4 26,-2.4 -2,-0.4 2,-0.6 -0.879 12.3-138.7-112.6 140.9 12.1 27.9 52.1 96 99 A S E -h 52 0B 1 -45,-2.7 -43,-2.3 -2,-0.4 -42,-0.3 -0.872 24.3-150.9 -99.0 121.9 10.9 28.6 55.6 97 100 A L - 0 0 1 -2,-0.6 27,-1.3 25,-0.4 2,-0.4 -0.657 4.7-150.8 -96.3 151.9 8.6 31.7 55.7 98 101 A H B > -b 124 0A 15 -2,-0.3 4,-3.6 25,-0.2 5,-0.2 -0.979 25.1-114.8-123.1 126.7 8.1 34.1 58.6 99 102 A I T 4 S+ 0 0 0 25,-2.5 27,-0.4 -2,-0.4 62,-0.1 -0.894 91.4 9.9-108.9 139.7 4.8 36.0 59.1 100 103 A P T >4 S+ 0 0 37 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 -0.989 123.5 63.8 -82.1 -1.1 4.2 39.0 59.0 101 104 A W T 34 S+ 0 0 124 1,-0.3 -2,-0.2 -27,-0.0 -26,-0.2 0.897 116.2 30.6 -48.1 -48.7 7.7 39.6 57.5 102 105 A D T 3< S+ 0 0 1 -4,-3.6 -1,-0.3 -28,-0.1 -3,-0.2 0.181 85.9 146.8 -98.9 17.6 6.9 37.6 54.4 103 106 A K < + 0 0 119 -3,-1.8 2,-0.3 -5,-0.2 -28,-0.2 -0.313 18.8 127.6 -59.7 130.1 3.2 38.3 54.2 104 107 A A - 0 0 26 -29,-0.1 -2,-0.0 -2,-0.0 3,-0.0 -0.947 69.5 -51.1-168.0 172.2 1.9 38.4 50.6 105 108 A D >> - 0 0 71 -2,-0.3 4,-2.4 1,-0.2 3,-0.8 -0.412 48.2-141.5 -59.2 118.5 -0.8 36.9 48.4 106 109 A P H 3> S+ 0 0 35 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.867 101.4 55.9 -49.4 -40.9 -0.4 33.1 49.0 107 110 A K H 3> S+ 0 0 171 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.883 109.1 46.0 -61.4 -39.6 -1.2 32.6 45.3 108 111 A E H <> S+ 0 0 107 -3,-0.8 4,-2.5 2,-0.2 5,-0.2 0.916 112.8 49.6 -69.3 -44.0 1.7 34.9 44.3 109 112 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.936 113.0 47.8 -58.4 -47.2 4.1 33.3 46.8 110 113 A K H X S+ 0 0 75 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.912 111.4 50.2 -59.5 -46.8 3.1 29.8 45.4 111 114 A A H X S+ 0 0 54 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.898 110.7 48.6 -61.4 -43.4 3.5 30.9 41.8 112 115 A R H X S+ 0 0 79 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.927 111.8 50.0 -63.9 -44.3 7.0 32.4 42.4 113 116 A G H X>S+ 0 0 0 -4,-2.4 5,-2.9 -5,-0.2 4,-1.6 0.968 111.6 47.2 -57.3 -54.8 8.1 29.3 44.2 114 117 A D H <5S+ 0 0 94 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.887 112.0 51.1 -53.7 -43.2 6.9 27.0 41.5 115 118 A A H <5S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.844 115.8 40.9 -64.7 -35.2 8.6 29.2 38.9 116 119 A L H <5S- 0 0 47 -4,-2.1 -1,-0.2 -3,-0.4 -2,-0.2 0.573 115.6-113.3 -88.9 -12.2 11.9 29.1 40.8 117 120 A G T <5S+ 0 0 51 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.806 72.2 134.0 82.9 30.8 11.6 25.4 41.6 118 121 A L < - 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0 0 86 19,-0.4 4,-2.8 1,-0.2 5,-0.2 -0.656 28.6-173.1 -78.9 93.0 34.8 44.0 110.7 777 358 B R H > S+ 0 0 50 -2,-1.5 4,-2.9 1,-0.2 5,-0.2 0.840 79.9 52.4 -58.2 -38.1 38.1 44.2 108.8 778 359 B A H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.947 113.0 43.3 -65.4 -48.4 40.1 43.4 112.0 779 360 B A H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.928 115.1 50.8 -62.3 -44.5 38.1 40.3 112.8 780 361 B L H X S+ 0 0 5 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.957 109.5 49.1 -57.2 -53.5 38.2 39.3 109.1 781 362 B S H X S+ 0 0 41 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.856 110.4 53.6 -55.7 -36.0 41.9 39.7 108.8 782 363 B G H X S+ 0 0 32 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.939 109.3 45.5 -65.5 -47.9 42.2 37.6 112.0 783 364 B Y H <>S+ 0 0 64 -4,-2.5 5,-2.7 1,-0.2 4,-0.3 0.767 111.6 54.5 -67.6 -24.9 40.1 34.7 110.6 784 365 B Q H ><5S+ 0 0 12 -4,-2.0 3,-0.8 -5,-0.2 -1,-0.2 0.926 108.5 47.2 -74.2 -44.0 42.1 34.8 107.4 785 366 B E H 3<5S+ 0 0 81 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.870 115.3 45.9 -64.5 -36.4 45.4 34.5 109.1 786 367 B D T 3<5S- 0 0 129 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.485 109.3-124.1 -84.7 -3.2 44.2 31.6 111.2 787 368 B N T < 5 + 0 0 21 -3,-0.8 2,-1.2 -4,-0.3 -3,-0.2 0.883 56.4 153.5 60.9 39.5 42.6 29.9 108.2 788 369 B D >< + 0 0 30 -5,-2.7 4,-2.3 1,-0.2 -1,-0.2 -0.662 14.8 174.4 -97.7 73.9 39.2 29.8 110.0 789 370 B A H > S+ 0 0 2 -2,-1.2 4,-2.6 385,-0.4 5,-0.2 0.843 70.7 55.5 -50.5 -43.1 37.3 29.8 106.7 790 371 B L H > S+ 0 0 3 384,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.949 112.9 39.0 -60.3 -52.5 33.9 29.4 108.4 791 372 B M H > S+ 0 0 17 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.820 113.2 58.6 -68.3 -29.8 34.2 32.4 110.6 792 373 B A H X S+ 0 0 0 -4,-2.3 4,-1.2 -9,-0.2 3,-0.2 0.963 110.7 40.4 -62.4 -50.3 35.9 34.4 107.8 793 374 B T H X S+ 0 0 15 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.825 113.4 55.0 -68.7 -30.2 32.9 33.9 105.5 794 375 B E H X S+ 0 0 24 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.810 101.9 58.3 -72.1 -28.9 30.5 34.5 108.4 795 376 B T H X S+ 0 0 9 -4,-1.8 4,-0.8 2,-0.2 -19,-0.4 0.860 108.9 44.5 -68.0 -35.5 32.2 37.8 109.1 796 377 B L H X S+ 0 0 0 -4,-1.2 4,-2.7 662,-0.2 3,-0.5 0.913 113.0 52.0 -72.6 -42.5 31.4 38.9 105.6 797 378 B K H X S+ 0 0 8 -4,-2.2 4,-3.9 1,-0.2 5,-0.3 0.868 100.6 60.5 -62.0 -38.2 27.8 37.6 106.0 798 379 B R H < S+ 0 0 98 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.864 112.0 40.7 -58.8 -33.9 27.2 39.5 109.2 799 380 B A H >< S+ 0 0 2 -4,-0.8 3,-1.0 -3,-0.5 -2,-0.2 0.941 118.3 46.4 -76.9 -49.3 27.8 42.6 107.2 800 381 B Y H 3< S+ 0 0 20 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.863 107.1 55.9 -60.9 -42.1 25.9 41.4 104.1 801 382 B R T 3< S+ 0 0 34 -4,-3.9 2,-0.5 -5,-0.2 -1,-0.2 0.645 85.0 106.6 -68.0 -12.5 22.9 40.1 106.1 802 383 B T S < S- 0 0 5 -3,-1.0 2,-1.0 -4,-0.3 -28,-0.1 -0.561 73.4-132.9 -74.8 120.0 22.5 43.6 107.6 803 384 B D + 0 0 41 -2,-0.5 4,-0.1 1,-0.2 -1,-0.1 -0.613 28.9 175.8 -75.4 101.4 19.5 45.5 106.2 804 385 B V >> + 0 0 0 -2,-1.0 4,-2.1 1,-0.2 3,-0.6 0.213 45.6 109.9 -92.4 12.7 21.0 48.9 105.5 805 386 B E H 3> S+ 0 0 45 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.916 75.1 57.8 -55.2 -43.4 17.8 50.4 103.9 806 387 B P H 3> S+ 0 0 14 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.886 107.7 48.8 -55.1 -36.3 17.3 52.7 106.9 807 388 B I H <> S+ 0 0 0 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.921 112.1 46.5 -68.7 -44.4 20.8 54.1 106.2 808 389 B L H X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.905 114.1 48.3 -64.2 -42.8 20.1 54.6 102.5 809 390 B A H X S+ 0 0 4 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.899 112.9 46.8 -65.2 -43.5 16.8 56.3 103.1 810 391 B E H X S+ 0 0 15 -4,-2.1 4,-2.9 -5,-0.3 5,-0.2 0.914 109.3 54.6 -66.2 -42.4 18.1 58.6 105.8 811 392 B A H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.916 112.2 44.7 -56.7 -43.4 21.1 59.6 103.6 812 393 B R H ><>S+ 0 0 1 -4,-1.9 5,-3.5 1,-0.2 3,-0.8 0.933 111.8 52.3 -66.5 -45.5 18.6 60.5 100.9 813 394 B R H ><5S+ 0 0 103 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.893 110.0 48.4 -58.3 -41.7 16.4 62.4 103.4 814 395 B R H 3<5S+ 0 0 99 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.668 113.2 48.3 -74.0 -17.2 19.3 64.5 104.7 815 396 B T T <<5S- 0 0 44 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.278 124.8 -91.6-108.5 11.5 20.5 65.4 101.2 816 397 B G T < 5S+ 0 0 38 -3,-0.9 -3,-0.2 -4,-0.4 -304,-0.1 0.590 88.3 121.2 91.9 11.4 17.2 66.5 99.6 817 398 B G < - 0 0 1 -5,-3.5 2,-0.4 -6,-0.2 -1,-0.2 -0.188 65.7 -88.5 -94.2-169.4 16.3 63.1 98.2 818 399 B A - 0 0 0 -308,-2.4 -5,-0.1 1,-0.1 -6,-0.1 -0.833 15.9-137.1-107.9 142.4 13.2 60.9 98.8 819 400 B V S S+ 0 0 12 -2,-0.4 -1,-0.1 1,-0.3 -7,-0.1 0.956 109.0 21.6 -56.0 -51.9 12.8 58.3 101.5 820 401 B D S > S- 0 0 39 1,-0.2 4,-2.4 -387,-0.1 -1,-0.3 -0.876 79.4-170.2-120.5 93.5 11.3 55.9 99.0 821 402 B P H > S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.880 83.9 43.8 -49.7 -53.5 12.5 57.2 95.5 822 403 B V H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.914 113.5 51.3 -65.0 -41.7 10.2 55.0 93.3 823 404 B A H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.896 113.7 45.1 -61.7 -39.6 7.2 55.7 95.5 824 405 B T H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.892 110.4 54.8 -70.8 -39.5 7.8 59.4 95.3 825 406 B Y H X>S+ 0 0 3 -4,-2.6 5,-1.0 -5,-0.2 4,-0.8 0.929 111.5 43.7 -58.5 -47.6 8.4 59.2 91.5 826 407 B R H ><5S+ 0 0 96 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.873 110.0 56.0 -67.0 -37.5 5.1 57.5 91.0 827 408 B A H 3<5S+ 0 0 53 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.832 103.6 56.1 -63.9 -31.5 3.3 59.9 93.3 828 409 B S H 3<5S- 0 0 36 -4,-1.8 -1,-0.2 -3,-0.1 -2,-0.2 0.755 98.3-138.1 -72.9 -25.9 4.6 62.8 91.2 829 410 B G T < + 0 0 4 -5,-1.0 4,-2.5 1,-0.2 5,-0.3 0.895 64.9 54.7 -59.3 -45.5 6.3 62.5 86.1 831 412 B R H > S+ 0 0 35 -6,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.934 109.7 46.8 -56.5 -47.1 6.0 59.7 83.5 832 413 B A H > S+ 0 0 69 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.848 110.8 56.3 -63.2 -32.8 2.5 60.8 82.5 833 414 B R H X S+ 0 0 96 -4,-1.7 4,-0.9 2,-0.2 3,-0.5 0.959 110.8 39.2 -64.4 -54.2 3.9 64.4 82.4 834 415 B V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.784 110.3 63.0 -67.9 -24.6 6.7 63.8 79.9 835 416 B A H < S+ 0 0 33 -4,-1.8 -343,-0.3 -5,-0.3 -1,-0.2 0.869 104.4 46.7 -66.2 -35.4 4.3 61.4 78.1 836 417 B A H < S+ 0 0 94 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.698 116.6 44.8 -79.0 -19.7 2.0 64.4 77.4 837 418 B E H < S+ 0 0 107 -4,-0.9 -2,-0.2 1,-0.1 -1,-0.2 0.742 108.5 60.8 -93.6 -28.6 5.0 66.6 76.3 838 419 B R S < S- 0 0 16 -4,-2.5 2,-0.4 -5,-0.1 -346,-0.4 -0.884 80.1-130.9-108.1 128.6 6.7 64.0 74.1 839 420 B P - 0 0 116 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 -0.617 19.5-145.9 -77.9 126.3 5.1 62.5 71.0 840 421 B A - 0 0 60 -2,-0.4 3,-0.1 -5,-0.2 -349,-0.1 -0.279 29.4-105.8 -78.8 174.8 5.3 58.7 70.8 841 422 B S S S+ 0 0 104 1,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.910 105.3 13.4 -68.0 -40.0 5.7 57.1 67.4 842 423 B V 0 0 124 1,-0.1 -1,-0.2 -3,-0.0 -2,-0.0 -0.979 360.0 360.0-137.0 147.3 2.0 56.0 67.6 843 424 B A 0 0 149 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.929 360.0 360.0 -55.5 360.0 -0.8 56.9 69.9 844 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 845 3 C E 0 0 123 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 156.4 21.7 11.8 125.9 846 4 C F - 0 0 110 1,-0.1 4,-0.1 86,-0.0 83,-0.1 -0.833 360.0-170.4-137.6 96.6 23.3 15.2 125.3 847 5 C R S S+ 0 0 22 -2,-0.4 2,-0.5 1,-0.1 -1,-0.1 0.819 86.1 51.1 -53.1 -31.7 26.4 15.3 123.2 848 6 C I S S- 0 0 2 -3,-0.1 -1,-0.1 81,-0.0 5,-0.1 -0.948 101.8-109.6-113.9 122.9 26.8 19.0 124.4 849 7 C A >> - 0 0 46 -2,-0.5 4,-1.7 1,-0.2 3,-0.6 -0.205 19.9-137.0 -50.5 128.6 26.5 19.7 128.1 850 8 C Q H 3> S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.780 102.1 59.8 -59.3 -30.1 23.3 21.5 128.9 851 9 C D H 3> S+ 0 0 89 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.867 104.0 49.4 -68.3 -36.4 25.1 24.0 131.2 852 10 C V H <> S+ 0 0 19 -3,-0.6 4,-3.0 2,-0.2 5,-0.2 0.909 112.2 48.8 -68.0 -41.2 27.3 25.2 128.4 853 11 C V H X S+ 0 0 12 -4,-1.7 4,-1.5 2,-0.2 389,-0.2 0.918 114.8 43.8 -64.1 -45.0 24.2 25.7 126.2 854 12 C A H X S+ 0 0 46 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.931 114.5 51.7 -65.7 -44.2 22.4 27.6 128.9 855 13 C R H X S+ 0 0 116 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.947 112.5 43.6 -56.1 -54.1 25.6 29.5 129.7 856 14 C E H < S+ 0 0 8 -4,-3.0 4,-0.3 1,-0.2 -1,-0.2 0.731 114.5 51.4 -66.8 -23.5 26.2 30.6 126.1 857 15 C N H >X S+ 0 0 18 -4,-1.5 3,-1.4 -5,-0.2 4,-1.4 0.922 108.1 49.7 -78.5 -46.5 22.5 31.4 125.6 858 16 C D H 3X S+ 0 0 122 -4,-2.8 4,-0.6 1,-0.3 3,-0.2 0.871 105.2 60.4 -57.9 -37.7 22.2 33.6 128.7 859 17 C R H 3< S+ 0 0 158 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.701 117.6 29.4 -63.9 -20.4 25.4 35.4 127.5 860 18 C R H <> S+ 0 0 65 -3,-1.4 4,-2.2 -4,-0.3 -1,-0.2 0.447 92.9 96.9-118.6 -4.0 23.5 36.5 124.3 861 19 C A H X S+ 0 0 38 -4,-1.4 4,-2.9 -3,-0.2 5,-0.2 0.885 82.0 52.8 -53.8 -47.0 19.9 36.6 125.6 862 20 C S H X S+ 0 0 95 -4,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.951 111.7 43.6 -56.2 -55.3 19.9 40.4 126.1 863 21 C A H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.879 114.9 52.3 -59.1 -38.4 21.1 41.3 122.6 864 22 C L H X S+ 0 0 11 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.938 105.2 52.4 -64.5 -48.8 18.7 38.8 121.2 865 23 C K H X S+ 0 0 117 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.897 112.0 48.4 -54.6 -41.8 15.7 40.1 123.0 866 24 C E H X S+ 0 0 90 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.958 114.5 43.2 -64.0 -52.5 16.5 43.6 121.7 867 25 C D H X S+ 0 0 36 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.889 115.0 50.0 -61.9 -40.7 17.0 42.4 118.1 868 26 C Y H X S+ 0 0 33 -4,-3.4 4,-2.8 1,-0.2 -1,-0.2 0.936 112.8 46.2 -64.9 -45.2 13.9 40.2 118.2 869 27 C E H X S+ 0 0 97 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.880 112.3 50.9 -65.0 -38.1 11.7 43.0 119.6 870 28 C A H X S+ 0 0 37 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.927 113.8 44.3 -65.0 -44.6 13.1 45.5 117.0 871 29 C L H X S+ 0 0 21 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.899 110.9 54.6 -65.9 -41.8 12.4 43.1 114.1 872 30 C G H X S+ 0 0 14 -4,-2.8 4,-2.1 1,-0.2 10,-0.3 0.891 108.8 48.3 -59.2 -40.4 9.0 42.2 115.6 873 31 C A H X S+ 0 0 42 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.911 113.0 48.1 -66.2 -42.6 8.0 45.9 115.6 874 32 C N H X S+ 0 0 27 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.935 112.3 47.9 -63.2 -47.5 9.2 46.4 112.1 875 33 C L H ><>S+ 0 0 0 -4,-3.2 5,-3.0 1,-0.2 3,-0.7 0.881 108.6 55.8 -61.2 -37.9 7.3 43.3 110.8 876 34 C A H ><5S+ 0 0 62 -4,-2.1 3,-2.3 1,-0.3 -1,-0.2 0.908 103.0 53.6 -61.2 -43.0 4.2 44.6 112.7 877 35 C R H 3<5S+ 0 0 101 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.713 108.7 52.5 -64.3 -17.4 4.4 47.8 110.8 878 36 C R T <<5S- 0 0 88 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.206 124.0-107.3-100.8 12.2 4.5 45.6 107.7 879 37 C G T < 5S+ 0 0 74 -3,-2.3 2,-0.4 1,-0.2 -3,-0.2 0.748 79.8 128.9 69.0 24.2 1.4 43.8 108.8 880 38 C V < - 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