==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE, METAL-BINDING PROTEIN 31-AUG-09 3IUI . COMPND 2 MOLECULE: L-RHAMNOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS STUTZERI; . AUTHOR H.YOSHIDA,M.YAMAJI,T.ISHII,K.IZUMORI,S.KAMITORI . 1676 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1177 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 130 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 1.6 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 . 1 0.1 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 . 97 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 154 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 697 41.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 2.0 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 1 10 5 8 8 3 1 0 4 4 4 0 1 1 6 0 0 0 0 0 3 1 0 0 RESIDUES PER ALPHA HELIX . 8 15 0 13 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 . 7 4 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 1 3 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 4 A F 0 0 169 0, 0.0 4,-0.1 0, 0.0 115,-0.1 0.000 360.0 360.0 360.0 116.1 17.7 -13.6 -19.9 2 5 A R + 0 0 31 114,-0.1 2,-0.5 1,-0.1 82,-0.1 0.893 360.0 51.4 -64.2 -41.1 14.8 -13.3 -17.5 3 6 A I S S- 0 0 1 81,-0.0 -1,-0.1 1,-0.0 5,-0.1 -0.887 100.4-110.3-103.3 125.2 14.3 -9.6 -18.4 4 7 A A > - 0 0 44 -2,-0.5 4,-1.7 1,-0.2 3,-0.5 -0.258 19.8-141.8 -52.1 127.6 14.1 -8.8 -22.2 5 8 A Q H > S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.758 99.7 61.4 -65.3 -27.2 17.2 -7.0 -23.3 6 9 A D H > S+ 0 0 91 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.888 105.7 48.0 -66.9 -36.4 15.2 -4.7 -25.6 7 10 A V H > S+ 0 0 14 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.917 109.8 52.1 -67.4 -45.1 13.4 -3.5 -22.5 8 11 A V H X S+ 0 0 15 -4,-1.7 4,-1.1 1,-0.2 389,-0.3 0.903 114.4 42.5 -58.0 -44.3 16.6 -2.9 -20.6 9 12 A A H X S+ 0 0 45 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.873 113.0 52.7 -72.0 -38.4 18.1 -0.9 -23.4 10 13 A R H X S+ 0 0 117 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.926 112.0 45.0 -63.8 -44.1 14.8 1.0 -24.0 11 14 A E H < S+ 0 0 13 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.747 113.7 51.2 -71.8 -23.4 14.6 2.0 -20.3 12 15 A N H >X S+ 0 0 16 -4,-1.1 4,-1.2 -5,-0.2 3,-0.7 0.870 109.5 48.1 -79.5 -39.3 18.3 3.0 -20.3 13 16 A D H 3X S+ 0 0 115 -4,-2.5 4,-0.6 1,-0.2 3,-0.4 0.907 104.8 61.2 -65.9 -40.1 18.1 5.2 -23.4 14 17 A R H 3< S+ 0 0 150 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.720 120.5 25.3 -58.2 -22.1 15.1 6.8 -21.9 15 18 A R H <> S+ 0 0 62 -3,-0.7 4,-2.5 -4,-0.4 -1,-0.2 0.394 93.6 98.1-122.1 -2.3 17.3 7.9 -19.0 16 19 A A H X S+ 0 0 40 -4,-1.2 4,-1.7 -3,-0.4 -2,-0.1 0.790 84.1 52.8 -58.6 -30.2 20.7 8.0 -20.6 17 20 A S H X S+ 0 0 96 -4,-0.6 4,-1.4 2,-0.2 -1,-0.2 0.913 111.5 42.6 -73.8 -45.1 20.5 11.7 -21.2 18 21 A A H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.887 113.2 54.9 -68.4 -38.7 19.7 12.7 -17.6 19 22 A L H X S+ 0 0 9 -4,-2.5 4,-3.4 1,-0.2 5,-0.2 0.930 103.9 52.8 -61.0 -48.3 22.3 10.2 -16.3 20 23 A K H X S+ 0 0 115 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.904 110.5 49.1 -55.2 -43.3 25.2 11.7 -18.4 21 24 A E H X S+ 0 0 83 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.958 114.9 42.8 -61.8 -51.7 24.4 15.1 -17.0 22 25 A D H X S+ 0 0 38 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.894 115.3 50.9 -62.5 -40.1 24.3 14.0 -13.4 23 26 A Y H X S+ 0 0 19 -4,-3.4 4,-3.1 -5,-0.2 -2,-0.2 0.962 110.4 46.9 -62.6 -53.7 27.4 11.8 -13.9 24 27 A E H X S+ 0 0 98 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.900 112.7 51.2 -55.1 -44.8 29.5 14.5 -15.4 25 28 A A H X S+ 0 0 37 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.900 112.6 44.1 -61.3 -44.6 28.5 17.0 -12.7 26 29 A L H X S+ 0 0 18 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.907 111.8 55.3 -67.3 -39.1 29.4 14.6 -9.9 27 30 A G H X S+ 0 0 13 -4,-3.1 4,-2.3 1,-0.2 10,-0.3 0.928 109.8 45.4 -57.2 -45.4 32.6 13.8 -11.8 28 31 A A H X S+ 0 0 43 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.899 113.0 51.2 -64.2 -42.4 33.5 17.5 -11.8 29 32 A N H < S+ 0 0 25 -4,-2.3 4,-0.4 1,-0.2 3,-0.4 0.954 112.2 45.7 -59.9 -51.3 32.5 17.8 -8.1 30 33 A L H ><>S+ 0 0 2 -4,-3.4 5,-2.6 1,-0.2 3,-1.8 0.869 105.5 59.7 -61.2 -39.4 34.7 14.8 -7.1 31 34 A A H ><5S+ 0 0 64 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.889 101.5 55.4 -57.6 -37.8 37.7 16.0 -9.2 32 35 A R T 3<5S+ 0 0 102 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.627 107.7 49.7 -69.2 -13.6 37.6 19.2 -7.1 33 36 A R T < 5S- 0 0 80 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.191 125.2-104.8-106.7 11.2 37.9 16.9 -4.0 34 37 A G T < 5S+ 0 0 71 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.785 80.2 129.2 70.7 30.0 40.8 15.0 -5.6 35 38 A V < - 0 0 39 -5,-2.6 2,-0.9 -8,-0.1 -1,-0.2 -0.969 55.2-140.1-122.9 132.3 38.8 12.0 -6.5 36 39 A D >> - 0 0 104 -2,-0.4 4,-1.5 1,-0.1 3,-1.5 -0.784 10.5-153.5 -90.9 102.0 38.6 10.3 -9.9 37 40 A I H 3> S+ 0 0 14 -2,-0.9 4,-1.8 -10,-0.3 -1,-0.1 0.638 93.1 60.0 -50.7 -16.9 34.9 9.3 -10.3 38 41 A E H 3> S+ 0 0 70 2,-0.2 4,-3.1 3,-0.2 -1,-0.3 0.872 101.1 51.1 -79.8 -39.4 36.1 6.5 -12.6 39 42 A A H <> S+ 0 0 52 -3,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.878 112.4 48.8 -64.2 -36.5 38.2 4.8 -10.0 40 43 A V H X S+ 0 0 10 -4,-1.5 4,-2.0 2,-0.2 3,-0.3 0.954 112.5 46.6 -66.9 -49.7 35.1 5.0 -7.7 41 44 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.909 107.5 58.0 -59.5 -43.5 32.9 3.5 -10.4 42 45 A A H X S+ 0 0 43 -4,-3.1 4,-0.5 1,-0.2 -1,-0.2 0.876 110.5 43.0 -55.4 -40.2 35.4 0.8 -11.2 43 46 A K H < S+ 0 0 74 -4,-1.5 3,-0.4 -3,-0.3 -1,-0.2 0.827 110.4 55.3 -77.2 -31.8 35.3 -0.4 -7.6 44 47 A V H >< S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.875 101.6 57.9 -67.6 -37.1 31.5 -0.1 -7.3 45 48 A E H 3< S+ 0 0 46 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.776 108.4 49.0 -63.0 -24.4 31.0 -2.4 -10.3 46 49 A K T 3< S+ 0 0 145 -4,-0.5 2,-0.7 -3,-0.4 -1,-0.3 0.328 84.6 105.5 -98.2 5.2 33.0 -5.0 -8.4 47 50 A F < - 0 0 23 -3,-1.5 2,-0.4 -4,-0.1 297,-0.1 -0.789 48.6-179.9 -93.0 118.9 31.1 -4.9 -5.1 48 51 A F - 0 0 96 -2,-0.7 2,-0.4 44,-0.1 273,-0.3 -0.914 17.4-172.6-123.6 145.0 28.8 -7.8 -4.6 49 52 A V - 0 0 3 42,-2.3 45,-0.3 -2,-0.4 273,-0.2 -0.991 30.2-116.4-130.2 137.4 26.5 -9.0 -1.8 50 53 A A B -a 322 0A 3 271,-1.9 273,-3.0 -2,-0.4 45,-0.2 -0.399 20.8-137.4 -75.6 150.3 24.8 -12.4 -1.8 51 54 A V E -h 95 0B 0 43,-2.1 45,-2.7 271,-0.2 2,-0.4 -0.892 17.7-121.9-108.6 138.7 21.0 -12.8 -2.0 52 55 A P E > -h 96 0B 0 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.637 12.9-138.5 -79.3 129.7 19.1 -15.3 0.1 53 56 A S G > S+ 0 0 0 43,-2.6 3,-0.7 -2,-0.4 4,-0.1 0.829 105.3 54.3 -57.7 -29.8 17.2 -17.8 -1.9 54 57 A W G > S+ 0 0 47 42,-0.3 3,-0.7 1,-0.2 -1,-0.3 0.558 90.5 77.1 -82.5 -6.7 14.3 -17.4 0.5 55 58 A G G < S+ 0 0 1 -3,-1.9 -1,-0.2 1,-0.2 272,-0.2 0.698 80.8 65.2 -77.1 -19.8 14.2 -13.6 0.1 56 59 A V G < S+ 0 0 0 -3,-0.7 2,-0.4 -4,-0.4 277,-0.3 0.574 90.2 78.7 -79.3 -9.6 12.4 -13.6 -3.2 57 60 A G S < S- 0 0 14 -3,-0.7 270,-0.4 275,-0.1 14,-0.0 -0.796 99.5 -94.3 -98.3 143.7 9.3 -15.1 -1.6 58 61 A T - 0 0 6 -2,-0.4 270,-0.2 268,-0.1 2,-0.1 -0.290 43.0-144.2 -57.7 132.3 6.9 -12.9 0.4 59 62 A G - 0 0 14 268,-2.6 7,-0.6 -4,-0.1 2,-0.3 -0.425 18.6-176.2 -93.4 172.5 7.7 -12.9 4.1 60 63 A G B -J 65 0C 15 5,-0.2 5,-0.2 -2,-0.1 2,-0.2 -0.858 18.9-116.0-151.8-173.7 5.3 -12.7 7.0 61 64 A T - 0 0 22 3,-2.3 3,-0.1 -2,-0.3 419,-0.0 -0.618 45.3 -89.0-121.9-177.0 5.0 -12.5 10.8 62 65 A R S S+ 0 0 68 1,-0.2 417,-0.1 -2,-0.2 3,-0.1 0.660 126.3 53.0 -69.3 -13.4 3.5 -14.8 13.5 63 66 A F S S- 0 0 44 1,-0.3 2,-0.3 534,-0.0 -1,-0.2 0.815 122.5 -26.4 -90.3 -36.0 0.2 -13.0 12.9 64 67 A A - 0 0 19 -3,-0.1 -3,-2.3 484,-0.1 2,-0.4 -0.956 41.3-137.5-176.3 156.9 -0.2 -13.4 9.1 65 68 A R B -J 60 0C 125 -2,-0.3 484,-0.2 -5,-0.2 -5,-0.2 -0.994 13.8-164.8-124.2 125.9 1.5 -13.8 5.7 66 69 A F - 0 0 31 -7,-0.6 -7,-0.1 -2,-0.4 -2,-0.0 -0.679 17.1-161.8-114.8 77.5 0.1 -11.7 2.8 67 70 A P - 0 0 67 0, 0.0 2,-0.1 0, 0.0 491,-0.1 -0.087 4.6-141.7 -57.3 153.6 1.5 -13.4 -0.3 68 71 A G > - 0 0 33 1,-0.1 3,-0.6 262,-0.1 2,-0.3 -0.158 37.1 -63.6-100.1-161.8 1.7 -11.6 -3.7 69 72 A T T 3 S+ 0 0 89 1,-0.2 344,-0.1 -2,-0.1 -1,-0.1 -0.698 113.7 15.1 -91.6 140.0 1.1 -12.8 -7.2 70 73 A G T 3 S- 0 0 5 343,-0.4 -1,-0.2 -2,-0.3 348,-0.1 0.828 78.3-168.3 71.8 32.0 3.3 -15.4 -8.8 71 74 A E < - 0 0 26 -3,-0.6 -1,-0.2 346,-0.2 -14,-0.1 -0.301 27.6-112.4 -53.4 127.8 4.9 -16.5 -5.5 72 75 A P - 0 0 13 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.325 27.4-154.4 -64.5 147.8 7.9 -18.7 -6.4 73 76 A R - 0 0 188 1,-0.1 4,-0.3 -3,-0.1 3,-0.1 -0.920 56.9 -6.4-129.5 106.9 7.6 -22.4 -5.5 74 77 A G S > S- 0 0 38 -2,-0.5 4,-1.9 1,-0.1 3,-0.4 -0.117 92.7 -70.0 97.4 164.1 10.8 -24.3 -4.9 75 78 A I H > S+ 0 0 7 26,-0.3 4,-3.3 1,-0.2 5,-0.2 0.894 127.2 57.5 -59.7 -43.5 14.4 -23.4 -5.4 76 79 A F H > S+ 0 0 54 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.857 108.3 46.8 -58.3 -37.5 14.3 -23.3 -9.2 77 80 A D H > S+ 0 0 40 -3,-0.4 4,-1.6 -4,-0.3 -1,-0.2 0.914 113.7 49.7 -69.5 -41.4 11.6 -20.7 -9.2 78 81 A K H X S+ 0 0 33 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.911 107.7 52.8 -63.4 -42.9 13.5 -18.7 -6.6 79 82 A L H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.885 105.4 56.0 -61.4 -36.7 16.7 -18.9 -8.7 80 83 A D H X S+ 0 0 19 -4,-1.5 4,-0.9 -5,-0.2 -1,-0.2 0.903 110.4 44.5 -61.6 -40.4 14.8 -17.5 -11.6 81 84 A D H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 3,-0.5 0.882 110.2 53.4 -72.5 -37.7 13.8 -14.5 -9.6 82 85 A C H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.880 101.8 61.2 -63.6 -35.3 17.3 -14.0 -8.1 83 86 A A H X S+ 0 0 3 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.860 100.9 54.0 -58.7 -35.7 18.6 -13.9 -11.7 84 87 A V H X S+ 0 0 0 -4,-0.9 4,-2.5 -3,-0.5 5,-0.3 0.936 107.9 48.6 -63.6 -47.3 16.4 -10.9 -12.3 85 88 A I H X>S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 5,-0.5 0.924 114.6 46.0 -58.6 -46.8 17.9 -9.1 -9.3 86 89 A Q H X5S+ 0 0 19 -4,-2.6 4,-2.2 6,-0.2 -2,-0.2 0.920 112.5 50.7 -63.1 -45.5 21.4 -9.9 -10.6 87 90 A Q H <5S+ 0 0 15 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.896 118.3 35.6 -60.5 -45.8 20.6 -8.9 -14.2 88 91 A L H <5S+ 0 0 0 -4,-2.5 308,-2.7 307,-0.2 -2,-0.2 0.858 132.0 27.1 -79.8 -38.3 19.2 -5.5 -13.4 89 92 A T H <5S- 0 0 1 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.692 82.6-151.8 -96.7 -22.9 21.4 -4.5 -10.4 90 93 A R S < -b 124 0A 11 -2,-0.2 4,-3.2 25,-0.2 27,-0.2 -0.985 25.6-114.7-125.8 125.1 18.8 -22.9 2.5 99 102 A I T 4 S+ 0 0 0 25,-2.3 27,-0.2 -2,-0.4 62,-0.1 -0.839 89.4 11.6-106.7 145.0 18.4 -26.6 3.3 100 103 A P T >4 S+ 0 0 48 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 -0.995 123.9 62.1 -82.0 -0.6 16.1 -28.4 3.4 101 104 A W T 34 S+ 0 0 121 1,-0.3 -26,-0.3 -27,-0.1 -2,-0.2 0.871 114.6 34.1 -51.0 -43.0 14.0 -25.8 1.6 102 105 A D T 3< S+ 0 0 2 -4,-3.2 -1,-0.3 -28,-0.1 -3,-0.2 0.136 82.0 145.2-102.5 21.1 16.2 -25.8 -1.5 103 106 A K < + 0 0 101 -3,-1.8 2,-0.3 -5,-0.2 -28,-0.2 -0.387 22.8 128.4 -61.8 131.3 17.2 -29.4 -1.5 104 107 A A - 0 0 28 -2,-0.1 5,-0.1 -29,-0.1 -2,-0.0 -0.959 68.1 -51.9-173.0 164.4 17.5 -30.6 -5.1 105 108 A D >> - 0 0 68 -2,-0.3 4,-2.1 1,-0.2 3,-0.7 -0.280 47.7-145.7 -51.4 116.4 19.9 -32.5 -7.5 106 109 A P H 3> S+ 0 0 37 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.882 98.0 56.0 -52.3 -44.3 23.2 -30.6 -7.1 107 110 A K H 3> S+ 0 0 173 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.855 109.6 47.3 -58.9 -35.7 24.1 -31.1 -10.7 108 111 A E H <> S+ 0 0 108 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.876 110.5 49.7 -74.2 -40.4 20.8 -29.5 -11.7 109 112 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.944 111.5 51.0 -61.9 -46.8 21.2 -26.5 -9.4 110 113 A K H X S+ 0 0 78 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.901 112.2 46.1 -56.4 -45.9 24.7 -26.0 -10.7 111 114 A A H X S+ 0 0 55 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.914 112.2 48.7 -66.3 -45.8 23.5 -26.0 -14.3 112 115 A R H X S+ 0 0 91 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.886 112.3 51.1 -62.9 -37.4 20.5 -23.7 -13.8 113 116 A G H X>S+ 0 0 0 -4,-2.5 5,-2.9 -5,-0.2 4,-1.4 0.953 108.8 48.8 -64.3 -49.4 22.8 -21.3 -12.0 114 117 A D H <5S+ 0 0 94 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.862 112.8 49.8 -58.2 -36.5 25.4 -21.3 -14.8 115 118 A A H <5S+ 0 0 84 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.880 114.1 43.5 -69.3 -40.5 22.6 -20.7 -17.3 116 119 A L H <5S- 0 0 39 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.567 116.3-112.2 -82.3 -9.8 21.1 -17.8 -15.2 117 120 A G T <5S+ 0 0 48 -4,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.875 73.4 132.1 79.8 38.8 24.6 -16.3 -14.6 118 121 A L < - 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0 0 91 19,-0.4 4,-2.2 1,-0.2 5,-0.2 -0.673 27.8-171.6 -78.2 90.6 -0.1 -0.2 54.3 774 358 B R H > S+ 0 0 51 -2,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.816 78.3 52.9 -56.1 -38.1 -1.7 2.7 52.3 775 359 B A H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.946 111.1 45.1 -65.5 -49.3 -1.7 5.1 55.3 776 360 B A H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.888 113.6 50.5 -62.1 -40.8 2.1 4.6 56.0 777 361 B L H X S+ 0 0 4 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.938 109.8 50.1 -63.5 -47.0 2.9 4.9 52.3 778 362 B S H X S+ 0 0 39 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.876 110.6 51.8 -58.5 -38.0 0.9 8.1 52.0 779 363 B G H X S+ 0 0 28 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.920 110.4 45.9 -66.2 -44.2 2.7 9.4 55.0 780 364 B Y H <>S+ 0 0 67 -4,-2.3 5,-3.2 1,-0.2 9,-0.2 0.790 111.9 53.4 -69.7 -27.8 6.2 8.7 53.7 781 365 B Q H ><5S+ 0 0 14 -4,-2.1 3,-0.9 3,-0.2 -2,-0.2 0.902 108.3 48.7 -72.9 -42.4 5.2 10.2 50.3 782 366 B E H 3<5S+ 0 0 83 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.878 115.2 44.5 -65.4 -36.8 4.0 13.4 51.9 783 367 B D T 3<5S- 0 0 128 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.388 111.0-122.1 -89.2 5.8 7.2 13.7 53.9 784 368 B N T < 5 + 0 0 24 -3,-0.9 2,-1.2 1,-0.2 -3,-0.2 0.892 55.4 156.2 54.9 43.7 9.4 12.8 50.9 785 369 B D >< + 0 0 32 -5,-3.2 4,-2.1 1,-0.2 -1,-0.2 -0.692 13.1 175.1 -98.8 76.4 10.9 9.8 52.7 786 370 B A H > S+ 0 0 2 -2,-1.2 4,-2.1 381,-0.4 5,-0.2 0.860 71.4 53.8 -51.6 -44.7 11.7 8.0 49.5 787 371 B L H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.940 113.4 40.6 -60.1 -51.2 13.6 5.1 51.3 788 372 B M H > S+ 0 0 16 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.790 112.1 56.9 -69.9 -27.5 10.7 4.2 53.6 789 373 B A H X S+ 0 0 0 -4,-2.1 4,-1.1 -9,-0.2 -1,-0.2 0.902 111.4 42.1 -70.0 -40.1 8.1 4.7 50.9 790 374 B T H X S+ 0 0 14 -4,-2.1 4,-2.4 1,-0.2 3,-0.3 0.892 114.2 51.5 -73.9 -37.5 9.8 2.1 48.7 791 375 B E H X S+ 0 0 28 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.748 103.0 61.0 -68.8 -23.9 10.4 -0.2 51.7 792 376 B T H X S+ 0 0 7 -4,-1.3 4,-0.7 2,-0.2 -19,-0.4 0.876 108.9 41.7 -70.7 -35.5 6.7 0.2 52.5 793 377 B L H >X S+ 0 0 0 -4,-1.1 4,-2.7 -3,-0.3 3,-0.8 0.916 112.7 54.4 -75.0 -43.1 5.8 -1.4 49.1 794 378 B K H 3X S+ 0 0 7 -4,-2.4 4,-3.4 1,-0.3 5,-0.2 0.839 99.5 61.5 -58.6 -35.7 8.6 -4.0 49.4 795 379 B R H 3< S+ 0 0 97 -4,-1.9 4,-0.3 2,-0.2 -1,-0.3 0.855 111.4 39.1 -61.1 -34.0 7.2 -5.1 52.8 796 380 B A H X< S+ 0 0 1 -3,-0.8 3,-1.1 -4,-0.7 -2,-0.2 0.935 118.1 48.4 -78.4 -48.7 4.0 -6.1 51.0 797 381 B Y H 3< S+ 0 0 17 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.843 106.4 55.8 -60.2 -39.0 5.8 -7.5 47.9 798 382 B R T 3< S+ 0 0 31 -4,-3.4 2,-0.4 -5,-0.2 -1,-0.3 0.655 84.1 105.8 -70.5 -15.0 8.3 -9.6 49.8 799 383 B T S < S- 0 0 5 -3,-1.1 2,-1.1 -4,-0.3 -28,-0.1 -0.529 74.6-131.9 -71.0 123.2 5.4 -11.3 51.6 800 384 B D + 0 0 41 -2,-0.4 4,-0.1 1,-0.2 -1,-0.1 -0.651 29.3 177.0 -77.7 100.7 4.9 -14.9 50.3 801 385 B V >> + 0 0 0 -2,-1.1 4,-2.1 1,-0.2 3,-0.6 0.256 46.3 109.6 -90.2 11.6 1.2 -15.0 49.7 802 386 B E H 3> S+ 0 0 43 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.900 73.8 60.2 -54.3 -42.1 1.0 -18.5 48.3 803 387 B P H 3> S+ 0 0 9 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.900 107.6 45.2 -53.1 -41.0 -0.7 -19.7 51.4 804 388 B I H <> S+ 0 0 0 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.897 113.1 49.7 -69.5 -41.0 -3.6 -17.3 50.8 805 389 B L H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.906 113.5 46.7 -63.5 -41.6 -3.7 -18.2 47.1 806 390 B A H X S+ 0 0 4 -4,-3.2 4,-2.0 2,-0.2 -2,-0.2 0.868 112.7 48.6 -68.5 -40.2 -3.8 -21.9 48.0 807 391 B E H X S+ 0 0 10 -4,-2.1 4,-2.8 -5,-0.3 5,-0.2 0.919 108.4 53.4 -67.2 -45.8 -6.5 -21.5 50.6 808 392 B A H X S+ 0 0 0 -4,-2.4 4,-0.7 1,-0.2 6,-0.2 0.900 111.1 47.5 -55.7 -43.6 -8.7 -19.4 48.4 809 393 B R H ><>S+ 0 0 1 -4,-1.6 5,-4.0 -5,-0.2 3,-0.6 0.916 111.9 50.5 -64.7 -42.8 -8.5 -22.2 45.8 810 394 B R H ><5S+ 0 0 105 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.917 109.8 48.3 -62.6 -46.4 -9.3 -24.8 48.4 811 395 B R H 3<5S+ 0 0 109 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.602 115.0 47.5 -70.9 -12.5 -12.3 -23.1 49.9 812 396 B T T <<5S- 0 0 45 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.214 126.2 -89.7-115.5 15.5 -13.8 -22.5 46.4 813 397 B G T < 5S+ 0 0 36 -3,-1.2 -3,-0.2 1,-0.2 -304,-0.1 0.511 87.2 120.3 93.1 5.7 -13.3 -26.0 44.8 814 398 B G < - 0 0 0 -5,-4.0 2,-0.4 -6,-0.2 -1,-0.2 -0.209 65.3 -86.4 -94.3-172.5 -9.8 -25.6 43.4 815 399 B A - 0 0 0 -308,-2.3 -5,-0.1 1,-0.1 -6,-0.1 -0.785 15.5-142.7-100.9 137.7 -6.5 -27.3 43.8 816 400 B V S S+ 0 0 14 -2,-0.4 -1,-0.1 1,-0.3 -7,-0.1 0.920 109.6 21.2 -58.7 -44.3 -3.9 -26.4 46.5 817 401 B D S > S- 0 0 42 1,-0.2 4,-2.5 -387,-0.1 -1,-0.3 -0.810 81.8-173.2-126.4 84.5 -1.2 -27.1 43.9 818 402 B P H > S+ 0 0 3 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.879 82.5 45.6 -44.3 -56.8 -3.1 -26.7 40.6 819 403 B V H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.886 112.3 51.7 -60.8 -39.9 -0.3 -27.9 38.3 820 404 B A H > S+ 0 0 22 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.931 113.7 44.6 -62.5 -43.2 0.5 -30.8 40.5 821 405 B T H X S+ 0 0 0 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.899 109.6 55.5 -66.6 -41.8 -3.2 -31.8 40.5 822 406 B Y H X>S+ 0 0 5 -4,-3.0 5,-0.9 -5,-0.2 4,-0.6 0.908 111.8 44.6 -57.1 -42.8 -3.4 -31.3 36.7 823 407 B R H ><5S+ 0 0 98 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.837 107.8 56.9 -72.8 -32.7 -0.5 -33.7 36.3 824 408 B A H 3<5S+ 0 0 53 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.672 104.0 55.7 -72.0 -16.7 -1.8 -36.3 38.7 825 409 B S H 3<5S- 0 0 36 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.676 96.9-138.1 -87.9 -21.1 -5.0 -36.5 36.7 826 410 B G T < + 0 0 3 -5,-0.9 4,-2.8 2,-0.2 5,-0.3 0.895 67.7 53.7 -57.8 -44.3 -5.6 -35.0 31.6 828 412 B R H > S+ 0 0 38 -6,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.946 110.8 45.8 -58.2 -48.9 -3.0 -34.2 28.9 829 413 B A H > S+ 0 0 68 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.932 112.8 53.1 -58.6 -46.4 -2.5 -37.9 28.2 830 414 B R H >X S+ 0 0 93 -4,-2.7 3,-1.6 1,-0.2 4,-1.0 0.963 112.2 40.3 -53.6 -62.4 -6.3 -38.3 28.1 831 415 B V H 3X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.3 -1,-0.2 0.668 108.5 65.2 -63.6 -14.8 -7.1 -35.6 25.6 832 416 B A H 3< S+ 0 0 30 -4,-1.2 -343,-0.3 -5,-0.3 -1,-0.3 0.796 105.8 43.0 -75.0 -28.5 -4.0 -36.8 23.7 833 417 B A H << S+ 0 0 90 -3,-1.6 -2,-0.2 -4,-1.2 -1,-0.2 0.627 115.3 48.3 -89.8 -17.7 -5.8 -40.0 23.1 834 418 B E H < S+ 0 0 109 -4,-1.0 -2,-0.2 -5,-0.2 -3,-0.2 0.638 108.3 63.0 -95.0 -18.2 -9.1 -38.3 22.3 835 419 B R S < S- 0 0 12 -4,-1.2 -346,-0.3 -5,-0.2 -345,-0.1 -0.900 91.1-105.2-115.4 140.2 -7.6 -35.9 19.8 836 420 B P 0 0 74 0, 0.0 -346,-0.1 0, 0.0 -3,-0.1 -0.333 360.0 360.0 -59.8 130.2 -5.7 -36.5 16.5 837 421 B A 0 0 141 -348,-0.1 -349,-0.1 -2,-0.1 -350,-0.0 -0.393 360.0 360.0 -83.1 360.0 -2.0 -36.1 16.8 838 !* 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 0.0 839 4 C F 0 0 166 0, 0.0 4,-0.1 0, 0.0 83,-0.1 0.000 360.0 360.0 360.0 120.8 31.4 2.3 68.1 840 5 C R + 0 0 63 114,-0.1 2,-0.5 1,-0.1 82,-0.1 0.855 360.0 43.4 -55.5 -37.4 29.9 4.8 65.6 841 6 C I S S- 0 0 0 81,-0.0 -1,-0.1 2,-0.0 400,-0.0 -0.953 101.8-111.0-112.7 127.3 26.5 3.7 66.9 842 7 C A >> - 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0 0 96 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.413 23.7-126.2 -67.7 134.4 30.8 22.1 57.9 1256 421 C A - 0 0 84 -2,-0.1 -349,-0.1 1,-0.1 -345,-0.0 -0.604 34.1-103.5 -79.0 142.2 28.5 22.5 54.9 1257 422 C S 0 0 112 -2,-0.3 -1,-0.1 1,-0.1 -348,-0.0 -0.338 360.0 360.0 -63.7 149.8 30.4 23.6 51.8 1258 423 C V 0 0 189 -3,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.649 360.0 360.0-125.2 360.0 29.9 27.2 50.9 1259 !* 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 1260 4 D F 0 0 172 0, 0.0 4,-0.1 0, 0.0 83,-0.1 0.000 360.0 360.0 360.0 110.0 30.1 42.8 14.3 1261 5 D R + 0 0 24 114,-0.2 2,-0.4 1,-0.1 82,-0.1 0.876 360.0 42.5 -64.1 -38.9 31.6 40.0 16.3 1262 6 D I S S- 0 0 3 81,-0.1 2,-0.1 404,-0.0 -1,-0.1 -0.916 103.4-105.2-109.1 135.3 33.4 38.7 13.2 1263 7 D A >> - 0 0 46 -2,-0.4 4,-1.6 1,-0.1 3,-0.6 -0.391 21.3-138.5 -62.9 130.1 35.0 41.3 10.8 1264 8 D Q H 3> S+ 0 0 111 1,-0.3 4,-2.7 2,-0.2 -1,-0.1 0.809 102.8 56.9 -58.7 -33.4 32.9 41.8 7.7 1265 9 D D H 3> S+ 0 0 94 2,-0.2 4,-3.2 1,-0.2 -1,-0.3 0.859 103.4 54.3 -67.6 -34.0 36.0 41.9 5.5 1266 10 D V H <> S+ 0 0 24 -3,-0.6 4,-2.6 2,-0.2 5,-0.2 0.923 111.3 45.3 -64.0 -43.3 36.9 38.4 6.8 1267 11 D V H X S+ 0 0 12 -4,-1.6 4,-2.8 2,-0.2 389,-0.3 0.937 114.2 48.4 -64.3 -46.8 33.5 37.1 5.8 1268 12 D A H X S+ 0 0 43 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.941 112.9 48.9 -58.6 -48.1 33.7 38.9 2.4 1269 13 D R H X S+ 0 0 133 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.941 114.5 43.0 -56.9 -53.9 37.2 37.5 1.8 1270 14 D E H X S+ 0 0 16 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.886 115.5 49.6 -62.7 -40.3 36.3 33.9 2.7 1271 15 D N H X S+ 0 0 14 -4,-2.8 4,-0.7 -5,-0.2 3,-0.3 0.881 110.8 50.7 -66.6 -38.7 33.0 34.1 0.8 1272 16 D D H < S+ 0 0 117 -4,-2.6 4,-0.5 -5,-0.2 3,-0.3 0.849 103.4 56.1 -70.1 -36.0 34.8 35.5 -2.3 1273 17 D R H < S+ 0 0 148 -4,-1.9 -1,-0.2 1,-0.2 4,-0.2 0.763 117.3 38.1 -67.2 -22.2 37.5 32.8 -2.5 1274 18 D R H X S+ 0 0 61 -4,-0.8 4,-2.7 -3,-0.3 -1,-0.2 0.482 86.8 99.8-104.9 -7.7 34.8 30.2 -2.6 1275 19 D A H X S+ 0 0 37 -4,-0.7 4,-3.0 -3,-0.3 5,-0.2 0.866 83.5 48.6 -48.2 -47.0 32.3 32.1 -4.8 1276 20 D S H > S+ 0 0 93 -4,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.925 112.3 47.8 -63.1 -44.3 33.2 30.2 -8.0 1277 21 D A H > S+ 0 0 38 -4,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.918 114.5 47.6 -62.7 -42.1 33.0 26.8 -6.4 1278 22 D L H X S+ 0 0 11 -4,-2.7 4,-3.3 2,-0.2 5,-0.3 0.963 110.9 49.7 -63.3 -52.5 29.7 27.7 -4.9 1279 23 D K H X S+ 0 0 121 -4,-3.0 4,-2.3 1,-0.2 5,-0.3 0.923 109.8 53.1 -51.2 -46.9 28.3 29.0 -8.1 1280 24 D E H X S+ 0 0 96 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.882 114.7 40.0 -58.7 -40.8 29.4 25.9 -9.9 1281 25 D D H X S+ 0 0 35 -4,-1.9 4,-2.2 -3,-0.2 5,-0.2 0.867 113.7 54.4 -76.9 -35.9 27.6 23.6 -7.4 1282 26 D Y H X S+ 0 0 21 -4,-3.3 4,-1.0 1,-0.2 -2,-0.2 0.823 111.7 44.3 -67.8 -31.8 24.6 25.9 -7.2 1283 27 D E H X S+ 0 0 113 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.877 112.6 50.4 -79.9 -38.8 24.1 25.8 -10.9 1284 28 D A H X S+ 0 0 40 -4,-1.5 4,-1.6 -5,-0.3 -2,-0.2 0.903 113.6 45.5 -65.5 -41.3 24.7 22.0 -11.3 1285 29 D L H X S+ 0 0 21 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.824 109.8 57.2 -70.2 -30.8 22.2 21.3 -8.5 1286 30 D G H X S+ 0 0 14 -4,-1.0 4,-2.5 -5,-0.2 10,-0.2 0.915 106.5 47.0 -65.4 -42.9 19.8 23.8 -10.1 1287 31 D A H X S+ 0 0 42 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.863 111.8 52.3 -66.6 -36.0 19.8 21.9 -13.4 1288 32 D N H < S+ 0 0 25 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.949 112.7 43.5 -64.6 -48.7 19.2 18.7 -11.6 1289 33 D L H ><>S+ 0 0 1 -4,-2.6 5,-2.2 1,-0.2 3,-1.7 0.864 108.6 58.9 -64.6 -37.3 16.2 20.1 -9.7 1290 34 D A H ><5S+ 0 0 63 -4,-2.5 3,-2.5 1,-0.3 -1,-0.2 0.942 101.9 53.5 -56.6 -48.2 14.9 21.7 -12.9 1291 35 D R T 3<5S+ 0 0 105 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.542 109.0 52.5 -64.3 -5.4 14.8 18.2 -14.5 1292 36 D R T < 5S- 0 0 90 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.263 123.0-104.6-112.4 7.8 12.7 17.3 -11.5 1293 37 D G T < 5S+ 0 0 74 -3,-2.5 2,-0.4 1,-0.2 -3,-0.2 0.843 80.8 128.6 72.5 33.9 10.2 20.1 -11.8 1294 38 D V < - 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