==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 01-AUG-06 2DVU . COMPND 2 MOLECULE: THERMOPHILIC REVERSIBLE GAMMA-RESORCYLATE DECARBO . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM SP.; . AUTHOR M.GOTO . 1294 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41661.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 919 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 123 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 0 0.0 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 . 56 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 182 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 442 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 42 3.2 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 8 0 4 0 15 0 13 2 2 4 0 4 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 11 8 4 0 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 0 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 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 1 A M 0 0 51 0, 0.0 3,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 131.9 83.1 45.6 23.2 2 2 A Q + 0 0 138 1,-0.2 50,-0.1 50,-0.1 46,-0.1 -0.563 360.0 41.5-103.2 170.1 83.6 42.7 20.8 3 3 A G S S+ 0 0 16 -2,-0.2 49,-0.2 1,-0.2 -1,-0.2 0.727 76.3 163.6 67.4 24.0 83.7 39.0 21.5 4 4 A K E -a 52 0A 0 47,-2.9 49,-2.0 -3,-0.3 50,-1.9 -0.260 31.4-139.6 -72.0 160.5 80.7 39.1 23.9 5 5 A V E -a 54 0A 1 309,-2.6 2,-0.4 48,-0.2 50,-0.2 -0.975 15.8-169.4-120.1 134.9 78.8 36.1 25.0 6 6 A A E +a 55 0A 0 48,-2.4 50,-2.6 -2,-0.4 279,-0.2 -0.991 8.8 176.9-126.4 135.1 75.0 36.3 25.4 7 7 A L E + 0 0 0 277,-0.6 2,-0.1 -2,-0.4 278,-0.1 0.220 64.9 65.3-129.4 18.5 72.9 33.5 27.0 8 8 A E E + 0 0 0 2,-0.1 279,-1.4 50,-0.0 2,-0.5 -0.635 67.7 136.2-132.9 71.1 69.2 34.4 27.3 9 9 A E E -a 57 0A 0 47,-0.9 49,-1.7 278,-0.2 2,-0.2 -0.985 38.7-153.7-125.1 116.4 68.6 34.4 23.5 10 10 A H E +a 58 0A 0 278,-2.9 2,-0.3 -2,-0.5 49,-0.2 -0.527 21.9 168.9-101.3 160.7 65.5 32.7 22.3 11 11 A F E -a 59 0A 5 47,-1.5 49,-1.0 -2,-0.2 2,-0.3 -0.890 18.0-146.1-149.7 171.8 64.1 30.9 19.3 12 12 A A - 0 0 5 24,-2.1 47,-0.0 -2,-0.3 3,-0.0 -0.965 7.7-137.8-145.8 160.9 61.0 28.8 18.7 13 13 A I >> - 0 0 4 -2,-0.3 3,-2.4 1,-0.1 4,-1.3 -0.807 43.4 -99.7-112.0 158.1 59.8 25.9 16.6 14 14 A P H >> S+ 0 0 90 0, 0.0 3,-0.6 0, 0.0 4,-0.6 0.868 122.0 60.8 -44.5 -41.8 56.4 25.9 14.9 15 15 A E H 34 S+ 0 0 95 1,-0.2 61,-0.0 2,-0.1 65,-0.0 0.657 116.3 29.2 -62.5 -19.9 55.0 23.8 17.8 16 16 A T H X4 S+ 0 0 3 -3,-2.4 3,-1.4 2,-0.1 4,-0.4 0.397 91.3 99.0-120.5 -0.6 55.8 26.4 20.4 17 17 A L H X< S+ 0 0 14 -4,-1.3 3,-1.8 -3,-0.6 4,-0.3 0.887 76.9 59.3 -54.7 -45.8 55.6 29.6 18.4 18 18 A Q G >< S+ 0 0 124 -4,-0.6 3,-1.2 1,-0.3 4,-0.5 0.688 88.3 75.8 -60.4 -18.8 52.1 30.5 19.6 19 19 A D G < S+ 0 0 56 -3,-1.4 -1,-0.3 1,-0.3 3,-0.2 0.814 98.4 44.9 -62.5 -29.7 53.3 30.6 23.1 20 20 A S G X S+ 0 0 0 -3,-1.8 3,-0.5 -4,-0.4 -1,-0.3 0.416 88.9 97.3 -93.8 0.6 54.9 34.0 22.4 21 21 A A G X S+ 0 0 25 -3,-1.2 3,-1.1 -4,-0.3 -1,-0.2 0.936 82.7 42.5 -54.6 -58.5 51.8 35.3 20.6 22 22 A G G 3 S+ 0 0 66 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.619 95.5 79.1 -69.4 -12.8 50.1 37.3 23.3 23 23 A F G < S+ 0 0 65 -3,-0.5 -1,-0.2 -4,-0.1 -2,-0.1 0.501 97.6 41.1 -75.8 -2.6 53.3 38.9 24.7 24 24 A V S < S- 0 0 9 -3,-1.1 5,-0.1 -4,-0.2 536,-0.0 -0.979 91.0 -97.1-142.3 153.9 53.4 41.5 21.9 25 25 A P > - 0 0 25 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.028 44.5 -98.2 -59.8 176.4 50.8 43.7 20.1 26 26 A G H >> S+ 0 0 70 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.917 118.3 48.6 -66.4 -47.6 49.3 42.7 16.7 27 27 A D H 34 S+ 0 0 133 1,-0.2 4,-0.4 2,-0.2 3,-0.2 0.800 114.3 46.9 -64.9 -30.0 51.5 44.7 14.4 28 28 A Y H 3> S+ 0 0 41 1,-0.2 4,-2.6 2,-0.1 -1,-0.2 0.560 91.2 83.1 -88.8 -9.7 54.7 43.5 16.0 29 29 A W H S+ 0 0 73 -4,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.920 111.6 50.6 -63.7 -46.0 58.2 40.7 13.3 32 32 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.896 109.2 51.7 -61.1 -40.5 58.5 38.7 16.5 33 33 A Q H X S+ 0 0 55 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.924 109.0 50.7 -61.7 -44.6 57.6 35.5 14.7 34 34 A H H X S+ 0 0 87 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.940 112.4 47.3 -56.9 -48.5 60.3 36.2 12.1 35 35 A R H < S+ 0 0 19 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.909 110.6 50.8 -60.1 -47.3 62.9 36.7 14.9 36 36 A L H < S+ 0 0 0 -4,-2.7 -24,-2.1 1,-0.2 -1,-0.2 0.845 114.7 42.8 -62.0 -36.5 62.0 33.6 16.8 37 37 A L H < S+ 0 0 88 -4,-2.0 2,-0.3 -26,-0.2 -1,-0.2 0.695 100.9 86.7 -84.3 -19.6 62.2 31.3 13.8 38 38 A D < + 0 0 14 -4,-1.5 -26,-0.0 -5,-0.2 -4,-0.0 -0.634 34.5 140.7 -87.0 138.2 65.4 33.0 12.5 39 39 A I S S+ 0 0 6 -2,-0.3 5,-0.4 -28,-0.1 -1,-0.2 0.524 70.9 45.3-137.0 -45.3 68.8 31.9 13.7 40 40 A Q S S+ 0 0 43 3,-0.1 -2,-0.1 4,-0.1 0, 0.0 0.690 118.5 28.2 -82.1 -21.8 71.2 31.9 10.8 41 41 A D S > S+ 0 0 110 3,-0.1 4,-2.5 4,-0.0 5,-0.2 0.789 123.3 19.8-104.7 -89.2 70.4 35.2 9.1 42 42 A T H > S+ 0 0 45 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.911 126.7 51.1 -51.4 -48.8 69.0 38.3 10.9 43 43 A R H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 111.5 46.3 -56.1 -49.9 70.2 37.0 14.3 44 44 A L H > S+ 0 0 11 -5,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.861 109.6 54.7 -64.5 -36.6 73.8 36.4 13.1 45 45 A K H X S+ 0 0 156 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.867 108.8 48.4 -65.5 -35.8 74.0 39.8 11.3 46 46 A L H X S+ 0 0 40 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.866 109.0 53.3 -71.9 -35.0 73.1 41.5 14.6 47 47 A M H <>S+ 0 0 0 -4,-1.9 5,-2.6 1,-0.2 -2,-0.2 0.903 110.3 48.0 -65.0 -40.2 75.7 39.5 16.5 48 48 A D H <5S+ 0 0 88 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.821 115.1 44.3 -70.4 -31.2 78.3 40.6 13.9 49 49 A A H <5S+ 0 0 69 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.714 118.3 43.6 -85.8 -21.1 77.3 44.2 14.1 50 50 A H T <5S- 0 0 37 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 -0.064 112.3-105.4-118.8 36.1 77.0 44.3 17.9 51 51 A G T 5 + 0 0 3 -3,-0.5 -47,-2.9 1,-0.2 2,-0.7 0.773 66.8 144.7 49.9 40.0 80.1 42.4 19.1 52 52 A I E < +a 4 0A 2 -5,-2.6 -47,-0.2 -49,-0.2 -1,-0.2 -0.922 17.1 170.9-109.6 112.2 78.5 39.1 20.1 53 53 A E E + 0 0 71 -49,-2.0 2,-0.4 -2,-0.7 -48,-0.2 0.874 67.7 36.0 -84.3 -41.3 80.8 36.1 19.3 54 54 A T E -a 5 0A 8 -50,-1.9 -48,-2.4 -7,-0.1 2,-0.5 -0.950 58.7-174.0-122.3 132.7 78.8 33.5 21.1 55 55 A M E -ab 6 95A 0 39,-2.6 41,-2.2 -2,-0.4 2,-0.9 -0.974 12.5-155.5-125.3 115.7 75.1 33.0 21.5 56 56 A I E - b 0 96A 0 -50,-2.6 -47,-0.9 -2,-0.5 41,-0.2 -0.828 26.4-149.2 -91.9 107.4 73.8 30.2 23.8 57 57 A L E -ab 9 97A 0 39,-2.6 41,-2.6 -2,-0.9 2,-0.3 -0.409 19.3-179.4 -81.7 152.5 70.3 29.6 22.4 58 58 A S E -a 10 0A 0 -49,-1.7 -47,-1.5 39,-0.2 41,-0.1 -0.991 32.3-101.8-149.1 149.9 67.2 28.4 24.2 59 59 A L E -a 11 0A 11 -2,-0.3 -47,-0.2 39,-0.3 -50,-0.0 -0.217 48.5-101.2 -64.2 161.5 63.6 27.5 23.2 60 60 A N - 0 0 0 -49,-1.0 68,-0.1 -50,-0.1 -1,-0.1 -0.028 55.9 -43.5 -77.3-173.5 61.0 30.2 24.0 61 61 A A S S- 0 0 11 1,-0.2 105,-0.1 2,-0.1 -1,-0.1 -0.880 103.2 -12.2-125.2 154.7 58.5 30.2 26.9 62 62 A P S > S+ 0 0 25 0, 0.0 3,-1.6 0, 0.0 66,-0.3 -0.981 90.1 131.9 -79.3 -14.3 56.6 28.7 28.6 63 63 A A G > S+ 0 0 2 1,-0.3 3,-2.0 -47,-0.2 -2,-0.1 -0.134 78.7 12.6 46.8-123.4 56.9 26.0 25.9 64 64 A V G > S+ 0 0 1 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.812 122.2 63.4 -52.8 -38.2 57.6 22.5 27.4 65 65 A Q G < S+ 0 0 3 -3,-1.6 67,-1.4 1,-0.3 -1,-0.3 0.671 101.3 53.9 -64.4 -14.6 56.7 23.6 31.0 66 66 A A G < S+ 0 0 30 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.218 83.7 94.3-104.1 13.5 53.1 24.3 29.9 67 67 A I < - 0 0 36 -3,-1.8 6,-0.2 -5,-0.2 37,-0.1 -0.872 53.5-172.0-107.3 97.9 52.5 20.9 28.3 68 68 A P + 0 0 43 0, 0.0 66,-2.3 0, 0.0 2,-0.7 0.736 61.7 87.9 -63.0 -25.7 50.7 18.8 31.1 69 69 A D > - 0 0 89 64,-0.2 4,-2.7 1,-0.2 5,-0.2 -0.683 69.4-151.6 -80.7 115.7 50.8 15.5 29.2 70 70 A R H > S+ 0 0 109 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.893 93.2 51.3 -50.5 -48.4 54.2 13.9 29.9 71 71 A R H > S+ 0 0 151 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 113.6 42.7 -59.1 -47.3 54.3 12.0 26.6 72 72 A K H > S+ 0 0 100 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.877 113.5 53.2 -67.5 -37.7 53.7 15.2 24.5 73 73 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.930 108.6 49.4 -62.0 -46.5 56.1 17.2 26.7 74 74 A I H X S+ 0 0 25 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.907 112.6 48.9 -59.0 -42.7 58.8 14.6 26.2 75 75 A E H X S+ 0 0 99 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.927 112.2 46.0 -63.2 -49.4 58.2 14.7 22.4 76 76 A I H X S+ 0 0 11 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.895 112.3 51.4 -63.0 -41.7 58.2 18.5 22.1 77 77 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 23,-0.3 0.952 112.5 45.2 -60.5 -50.7 61.4 18.8 24.2 78 78 A R H X S+ 0 0 130 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.900 114.0 49.4 -60.3 -42.2 63.2 16.2 22.1 79 79 A R H X S+ 0 0 109 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.906 112.2 48.1 -64.1 -42.4 62.0 17.8 18.9 80 80 A A H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.892 112.3 48.9 -65.6 -40.9 63.1 21.3 20.0 81 81 A N H X S+ 0 0 2 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.875 109.8 51.6 -68.2 -36.7 66.5 20.0 21.1 82 82 A D H X S+ 0 0 63 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.917 110.5 47.9 -66.0 -42.6 67.1 18.2 17.8 83 83 A V H X S+ 0 0 29 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.915 111.8 50.8 -62.9 -42.7 66.3 21.3 15.8 84 84 A L H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.900 109.6 49.4 -62.7 -41.6 68.5 23.4 18.0 85 85 A A H X S+ 0 0 22 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.916 111.0 51.0 -63.0 -42.6 71.4 20.9 17.6 86 86 A E H X S+ 0 0 119 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.925 112.4 46.2 -60.1 -46.0 70.8 21.1 13.8 87 87 A E H >X S+ 0 0 29 -4,-2.6 3,-1.1 1,-0.2 4,-0.6 0.911 111.6 50.3 -65.5 -43.5 70.9 24.9 13.9 88 88 A C H >< S+ 0 0 14 -4,-2.8 3,-1.3 1,-0.3 7,-0.3 0.886 102.2 61.9 -62.6 -38.3 74.0 25.1 16.0 89 89 A A H 3< S+ 0 0 74 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.695 93.6 64.9 -61.3 -19.7 75.9 22.6 13.8 90 90 A K H << S+ 0 0 113 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.817 126.4 8.4 -73.2 -30.9 75.5 25.1 10.9 91 91 A R S XX S+ 0 0 77 -3,-1.3 3,-2.2 -4,-0.6 4,-2.1 -0.444 71.3 165.8-149.6 67.5 77.7 27.6 12.8 92 92 A P T 34 S+ 0 0 88 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.587 75.8 65.2 -60.3 -13.7 79.3 25.8 15.9 93 93 A D T 34 S+ 0 0 92 1,-0.1 3,-0.1 -5,-0.1 -4,-0.1 0.554 115.6 27.2 -87.3 -8.6 81.7 28.7 16.3 94 94 A R T <4 S+ 0 0 23 -3,-2.2 -39,-2.6 -6,-0.3 2,-0.4 0.624 114.9 60.0-123.1 -26.5 78.9 31.1 17.0 95 95 A F E < +b 55 0A 2 -4,-2.1 2,-0.3 -7,-0.3 -39,-0.2 -0.917 46.4 168.7-119.6 136.1 76.1 29.1 18.6 96 96 A L E -b 56 0A 37 -41,-2.2 -39,-2.6 -2,-0.4 2,-0.4 -0.761 26.0-127.0-125.6 172.7 75.8 26.9 21.7 97 97 A A E -b 57 0A 3 24,-0.3 26,-2.1 -2,-0.3 27,-0.6 -0.966 12.1-151.7-139.8 149.0 72.7 25.4 23.2 98 98 A F E -c 124 0B 2 -41,-2.6 27,-0.3 -2,-0.4 -39,-0.3 -0.882 36.9-117.0-105.4 138.4 70.6 25.1 26.4 99 99 A A E -c 125 0B 1 25,-3.2 27,-2.4 -2,-0.4 2,-0.5 -0.471 13.6-138.2 -78.7 146.9 68.4 21.9 26.7 100 100 A A - 0 0 7 -23,-0.3 -19,-0.1 25,-0.2 27,-0.1 -0.883 28.7-155.6 -99.0 134.5 64.7 22.1 26.9 101 101 A L - 0 0 0 -2,-0.5 2,-1.7 25,-0.4 8,-0.1 -0.941 24.9-139.9-125.1 139.5 63.4 19.6 29.5 102 102 A P > + 0 0 1 0, 0.0 3,-2.1 0, 0.0 7,-0.4 -0.464 33.9 167.8 -87.3 64.6 60.2 17.7 30.1 103 103 A L T 3 + 0 0 0 -2,-1.7 28,-0.1 1,-0.3 -38,-0.1 0.459 60.0 83.3 -62.2 0.1 60.3 18.2 33.8 104 104 A Q T 3 S+ 0 0 2 1,-0.3 -1,-0.3 -37,-0.1 -34,-0.1 0.601 99.8 43.9 -77.1 -5.9 56.7 17.0 34.3 105 105 A D S <> S- 0 0 30 -3,-2.1 4,-2.6 1,-0.1 3,-0.5 -0.804 79.4-164.5-136.3 89.2 58.5 13.6 34.1 106 106 A P H > S+ 0 0 20 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.861 88.1 46.4 -39.7 -57.1 61.6 13.7 36.3 107 107 A D H > S+ 0 0 112 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.879 113.8 48.7 -59.1 -41.1 63.2 10.6 34.9 108 108 A A H > S+ 0 0 19 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.902 110.9 50.2 -66.8 -41.2 62.5 11.6 31.3 109 109 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -7,-0.4 -2,-0.2 0.905 109.4 52.1 -63.1 -41.7 63.9 15.1 31.9 110 110 A T H X S+ 0 0 20 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.918 111.6 46.4 -60.9 -43.9 67.1 13.5 33.4 111 111 A E H X S+ 0 0 136 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.899 112.0 49.7 -66.9 -40.2 67.6 11.3 30.4 112 112 A E H X S+ 0 0 15 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.889 108.9 52.5 -66.6 -38.5 67.0 14.1 27.9 113 113 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.930 109.9 49.2 -61.9 -43.7 69.5 16.3 29.7 114 114 A Q H X>S+ 0 0 57 -4,-2.0 4,-2.8 2,-0.2 5,-0.6 0.915 111.4 49.9 -60.7 -43.1 72.0 13.5 29.5 115 115 A R H X>S+ 0 0 37 -4,-2.3 4,-2.2 1,-0.2 5,-1.4 0.953 112.6 45.7 -61.4 -50.8 71.3 13.1 25.8 116 116 A C H <5S+ 0 0 0 -4,-2.9 6,-3.1 3,-0.2 4,-0.3 0.900 121.6 37.5 -59.8 -43.8 71.6 16.8 25.0 117 117 A V H X5S+ 0 0 24 -4,-2.6 4,-0.8 4,-0.3 -2,-0.2 0.971 125.4 34.6 -74.4 -56.2 74.8 17.2 27.0 118 118 A N H <5S+ 0 0 108 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.887 135.0 21.1 -69.0 -41.8 76.6 13.8 26.3 119 119 A D T < - 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0 0 6 24,-2.1 47,-0.0 -2,-0.3 3,-0.0 -0.954 5.4-141.0-141.4 159.1 48.5 47.5 69.2 339 13 B I >> - 0 0 4 -2,-0.3 3,-2.2 1,-0.1 4,-1.7 -0.798 42.8 -99.4-112.1 159.6 45.3 47.5 71.2 340 14 B P H 3> S+ 0 0 98 0, 0.0 4,-0.5 0, 0.0 3,-0.4 0.879 122.3 59.2 -45.6 -42.6 44.0 44.4 73.0 341 15 B E H 34 S+ 0 0 100 1,-0.2 61,-0.1 2,-0.1 65,-0.0 0.663 117.0 29.6 -63.2 -19.7 41.6 43.8 70.1 342 16 B T H X4 S+ 0 0 3 -3,-2.2 3,-1.9 2,-0.1 4,-0.4 0.465 90.2 100.3-118.4 -6.4 44.3 43.6 67.5 343 17 B L H >< S+ 0 0 16 -4,-1.7 3,-2.0 -3,-0.4 4,-0.3 0.880 76.1 59.3 -47.4 -50.1 47.2 42.2 69.6 344 18 B Q G >< S+ 0 0 119 -4,-0.5 3,-1.1 1,-0.3 4,-0.5 0.671 86.6 77.9 -58.2 -18.1 46.8 38.6 68.4 345 19 B D G < S+ 0 0 58 -3,-1.9 -1,-0.3 1,-0.3 3,-0.2 0.771 97.0 45.9 -62.9 -24.8 47.4 39.6 64.8 346 20 B S G X S+ 0 0 0 -3,-2.0 3,-1.5 -4,-0.4 -1,-0.3 0.481 87.3 93.2 -96.1 -3.6 51.1 39.8 65.5 347 21 B A G X S+ 0 0 30 -3,-1.1 3,-0.9 -4,-0.3 -1,-0.2 0.873 82.7 51.1 -57.1 -43.4 51.2 36.5 67.4 348 22 B G G 3 S+ 0 0 75 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.274 95.1 73.3 -82.9 14.6 52.2 34.4 64.4 349 23 B F G < S+ 0 0 66 -3,-1.5 -1,-0.2 1,-0.1 -2,-0.1 0.479 97.8 38.1-105.6 -3.6 55.1 36.6 63.3 350 24 B V S < S- 0 0 16 -3,-0.9 -1,-0.1 -4,-0.2 5,-0.1 -0.981 93.0 -90.4-142.9 152.7 57.6 35.7 66.0 351 25 B P >> - 0 0 24 0, 0.0 3,-1.5 0, 0.0 4,-0.7 -0.174 44.3-106.6 -58.3 158.5 58.6 32.5 67.8 352 26 B G H >> S+ 0 0 65 1,-0.3 3,-1.0 2,-0.2 4,-0.6 0.849 118.3 62.2 -56.0 -36.7 56.7 31.7 71.0 353 27 B D H 34 S+ 0 0 142 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.744 109.8 40.8 -62.1 -24.3 59.7 32.6 73.2 354 28 B Y H <> S+ 0 0 48 -3,-1.5 4,-2.5 1,-0.1 -1,-0.3 0.454 90.6 90.9-102.9 -3.5 59.6 36.1 71.8 355 29 B W H S+ 0 0 83 -4,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.918 111.1 51.4 -65.1 -44.8 58.3 40.6 74.6 358 32 B L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.897 110.3 50.6 -60.5 -39.6 56.7 41.6 71.3 359 33 B Q H X S+ 0 0 50 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.936 109.3 50.1 -62.8 -47.7 53.4 42.0 73.1 360 34 B H H X S+ 0 0 94 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.938 113.0 47.3 -56.1 -47.4 55.0 44.2 75.7 361 35 B R H < S+ 0 0 20 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.938 110.8 50.8 -59.6 -49.7 56.6 46.3 73.0 362 36 B L H < S+ 0 0 0 -4,-2.8 -24,-2.1 1,-0.2 -1,-0.2 0.827 115.3 42.7 -59.2 -33.6 53.3 46.6 71.0 363 37 B L H < S+ 0 0 89 -4,-2.1 2,-0.4 -26,-0.2 -1,-0.2 0.712 99.5 86.1 -87.0 -21.6 51.4 47.8 74.1 364 38 B D < + 0 0 13 -4,-1.8 -4,-0.0 -3,-0.3 -26,-0.0 -0.688 35.5 140.2 -87.4 129.1 54.1 50.2 75.3 365 39 B I S S+ 0 0 7 -2,-0.4 5,-0.2 4,-0.1 -1,-0.2 0.610 70.9 44.0-128.6 -44.4 54.2 53.7 74.0 366 40 B Q S S+ 0 0 45 3,-0.1 -2,-0.1 4,-0.1 0, 0.0 0.695 116.7 32.4 -82.6 -22.0 55.0 56.0 76.9 367 41 B D S > S+ 0 0 100 3,-0.1 4,-2.0 2,-0.0 3,-0.2 0.814 123.2 13.8-102.8 -89.6 57.8 54.2 78.7 368 42 B T H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.892 125.0 57.1 -59.1 -39.4 60.5 51.9 77.1 369 43 B R H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.902 109.0 45.3 -58.5 -43.1 59.6 53.2 73.6 370 44 B L H > S+ 0 0 17 2,-0.2 4,-2.4 -5,-0.2 -1,-0.2 0.873 110.5 53.3 -70.4 -36.9 60.3 56.8 74.6 371 45 B K H X S+ 0 0 139 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.859 109.7 49.2 -66.0 -33.6 63.6 55.9 76.4 372 46 B L H X S+ 0 0 49 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.880 109.5 52.0 -71.5 -37.6 64.7 54.1 73.2 373 47 B M H <>S+ 0 0 0 -4,-1.8 5,-2.5 -5,-0.2 -2,-0.2 0.919 110.9 47.4 -63.4 -43.4 63.8 57.2 71.2 374 48 B D H ><5S+ 0 0 92 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.864 113.4 48.2 -65.9 -36.6 65.8 59.4 73.6 375 49 B A H 3<5S+ 0 0 69 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.722 117.0 42.4 -77.0 -21.6 68.8 57.0 73.4 376 50 B H T 3<5S- 0 0 39 -4,-1.5 -1,-0.2 -3,-0.1 -2,-0.2 -0.062 112.4-105.2-120.7 36.4 68.7 56.8 69.6 377 51 B G T < 5 + 0 0 3 -3,-0.7 -47,-2.9 1,-0.2 2,-0.6 0.774 67.7 143.9 49.1 40.3 68.1 60.4 68.5 378 52 B I E < +i 330 0D 2 -5,-2.5 -1,-0.2 -49,-0.2 -47,-0.2 -0.934 17.6 170.5-110.1 112.5 64.5 60.0 67.5 379 53 B E E + 0 0 68 -49,-2.0 2,-0.4 -2,-0.6 -48,-0.2 0.897 67.7 36.4 -84.7 -45.2 62.5 63.2 68.2 380 54 B T E -i 331 0D 8 -50,-1.8 -48,-2.5 -7,-0.1 2,-0.5 -0.932 58.8-174.3-118.5 130.9 59.3 62.3 66.4 381 55 B M E -ij 332 421D 0 39,-2.8 41,-2.1 -2,-0.4 2,-0.9 -0.978 13.2-154.4-122.7 117.8 57.5 59.0 66.1 382 56 B I E - j 0 422D 0 -50,-2.7 -47,-0.9 -2,-0.5 41,-0.2 -0.838 26.1-148.4 -93.6 106.7 54.5 58.8 63.9 383 57 B L E -ij 335 423D 0 39,-2.4 41,-2.2 -2,-0.9 2,-0.3 -0.365 19.5-179.4 -79.4 153.0 52.5 55.8 65.3 384 58 B S E -i 336 0D 1 -49,-1.7 -47,-1.6 39,-0.2 41,-0.1 -0.994 32.5-100.8-151.7 147.7 50.3 53.3 63.6 385 59 B L E -i 337 0D 11 -2,-0.3 -47,-0.2 39,-0.3 -50,-0.0 -0.212 48.5-102.7 -61.9 157.6 48.2 50.3 64.5 386 60 B N - 0 0 0 -49,-1.1 68,-0.1 1,-0.1 -1,-0.1 0.034 56.1 -42.9 -73.8-172.9 49.7 46.9 63.8 387 61 B A S S- 0 0 13 1,-0.2 -1,-0.1 2,-0.1 105,-0.1 -0.903 103.3 -13.2-127.8 153.9 48.8 44.5 61.0 388 62 B P S > S+ 0 0 22 0, 0.0 3,-1.9 0, 0.0 66,-0.3 -0.988 89.5 132.5 -79.9 -12.6 46.7 43.3 59.4 389 63 B A G > S+ 0 0 2 1,-0.3 3,-2.1 -47,-0.2 -2,-0.1 -0.119 79.4 12.3 45.3-122.5 44.3 44.6 62.0 390 64 B V G > S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.793 122.8 63.7 -54.4 -34.4 41.3 46.4 60.5 391 65 B Q G < S+ 0 0 4 -3,-1.9 67,-1.3 1,-0.3 -1,-0.3 0.685 101.9 53.0 -66.5 -15.0 42.1 45.2 57.0 392 66 B A G < S+ 0 0 28 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.232 82.7 99.3-103.5 12.7 41.4 41.6 58.3 393 67 B I < - 0 0 29 -3,-1.7 6,-0.2 -5,-0.2 37,-0.1 -0.844 52.3-170.1-104.0 99.0 38.0 42.3 59.7 394 68 B P + 0 0 43 0, 0.0 66,-2.5 0, 0.0 2,-0.6 0.747 64.2 82.7 -57.1 -32.2 35.4 41.1 57.2 395 69 B D > - 0 0 94 64,-0.2 4,-2.9 1,-0.2 5,-0.2 -0.706 69.8-150.9 -85.0 117.9 32.4 42.7 58.9 396 70 B R H > S+ 0 0 113 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.906 95.2 49.0 -49.8 -53.0 32.0 46.3 58.0 397 71 B R H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.935 114.3 45.3 -55.8 -49.8 30.3 47.3 61.3 398 72 B K H > S+ 0 0 93 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.899 112.2 52.5 -61.8 -41.5 33.0 45.5 63.4 399 73 B A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.917 109.7 47.8 -60.9 -45.5 35.8 47.0 61.2 400 74 B I H X S+ 0 0 46 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.887 112.5 51.1 -62.5 -39.7 34.4 50.6 61.7 401 75 B E H X S+ 0 0 83 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.954 112.8 42.6 -62.7 -53.5 34.2 49.9 65.4 402 76 B I H X S+ 0 0 7 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.870 113.2 54.3 -62.8 -38.2 37.7 48.6 65.9 403 77 B A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 23,-0.3 0.955 110.9 44.1 -61.3 -51.3 39.1 51.4 63.6 404 78 B R H X S+ 0 0 96 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.914 114.3 51.1 -60.1 -43.2 37.5 54.2 65.7 405 79 B R H X S+ 0 0 86 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.950 111.3 46.3 -58.4 -53.2 38.6 52.5 68.9 406 80 B A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.877 114.3 48.8 -58.8 -40.0 42.2 52.2 67.8 407 81 B N H X S+ 0 0 1 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.872 110.6 49.8 -70.2 -36.0 42.2 55.8 66.5 408 82 B D H X S+ 0 0 56 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.926 112.4 47.8 -67.4 -43.1 40.7 57.1 69.8 409 83 B V H X S+ 0 0 42 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.928 111.3 51.5 -61.3 -44.9 43.3 55.2 71.8 410 84 B L H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.881 108.1 50.5 -60.9 -40.2 46.0 56.5 69.6 411 85 B A H X S+ 0 0 23 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.878 110.0 52.5 -65.5 -36.2 44.9 60.1 70.0 412 86 B E H X S+ 0 0 122 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.917 110.6 46.2 -64.3 -45.4 44.9 59.5 73.8 413 87 B E H >X S+ 0 0 32 -4,-2.4 3,-0.7 1,-0.2 4,-0.5 0.888 111.3 50.9 -66.5 -41.0 48.5 58.3 73.7 414 88 B C H >< S+ 0 0 15 -4,-2.3 3,-1.4 1,-0.2 7,-0.3 0.886 104.0 59.4 -63.6 -38.9 49.8 61.1 71.5 415 89 B A H 3< S+ 0 0 73 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.738 96.6 62.3 -61.9 -23.8 48.1 63.6 73.8 416 90 B K H << S+ 0 0 113 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.738 125.9 13.0 -74.1 -23.3 50.3 62.3 76.7 417 91 B R S XX S+ 0 0 124 -3,-1.4 3,-2.1 -4,-0.5 4,-2.1 -0.387 72.4 164.5-152.2 64.2 53.4 63.3 74.8 418 92 B P T 34 S+ 0 0 94 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.578 74.7 63.4 -59.5 -14.9 52.4 65.7 71.9 419 93 B D T 34 S+ 0 0 98 1,-0.1 3,-0.1 -5,-0.1 -4,-0.1 0.543 117.0 25.8 -88.9 -7.4 56.0 66.8 71.5 420 94 B R T <4 S+ 0 0 31 -3,-2.1 -39,-2.8 -6,-0.3 2,-0.4 0.610 112.0 64.5-127.0 -24.6 57.1 63.3 70.5 421 95 B F E < +j 381 0D 3 -4,-2.1 2,-0.3 -7,-0.3 -39,-0.2 -0.908 45.5 169.8-117.6 136.5 54.1 61.4 69.0 422 96 B L E -j 382 0D 38 -41,-2.1 -39,-2.4 -2,-0.4 2,-0.4 -0.765 26.0-124.2-126.0 171.5 52.0 62.0 65.9 423 97 B A E -j 383 0D 3 24,-0.3 26,-2.3 -2,-0.3 27,-0.6 -0.960 14.0-157.5-137.7 147.6 49.5 59.6 64.4 424 98 B F E -k 450 0E 2 -41,-2.2 27,-0.3 -2,-0.4 -39,-0.3 -0.894 37.2-117.6-107.9 138.4 48.4 57.7 61.3 425 99 B A E -k 451 0E 1 25,-2.8 27,-2.3 -2,-0.4 2,-0.4 -0.510 12.2-137.6 -81.7 146.1 44.8 56.8 61.0 426 100 B A - 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0 0 66 -2,-0.4 3,-2.3 5,-0.3 2,-0.5 -0.996 49.1 -10.9-149.6 149.2 34.8 42.1 53.5 460 134 B G T 3 S+ 0 0 42 -66,-2.5 -2,-0.0 -2,-0.3 -30,-0.0 -0.497 141.8 5.1 67.1-116.1 31.8 39.9 53.9 461 135 B D T 3 S- 0 0 121 -2,-0.5 -1,-0.3 1,-0.1 -66,-0.1 0.621 96.9-138.1 -74.3 -10.4 33.0 36.3 53.4 462 136 B G < + 0 0 1 -3,-2.3 -2,-0.1 -68,-0.2 -1,-0.1 0.620 68.4 121.0 64.5 15.9 36.4 37.9 53.4 463 137 B Q + 0 0 94 -4,-0.3 -1,-0.1 1,-0.1 -3,-0.1 0.451 58.0 68.4 -89.6 -0.6 37.5 35.6 50.5 464 138 B T S S- 0 0 71 -5,-0.3 2,-0.4 -7,-0.0 -5,-0.3 -0.963 78.4-130.7-125.9 121.9 38.4 38.4 48.0 465 139 B P - 0 0 12 0, 0.0 2,-0.7 0, 0.0 -7,-0.2 -0.537 22.1-148.6 -70.1 123.0 41.3 40.8 48.4 466 140 B L B -P 457 0F 34 -9,-2.4 -9,-1.8 -2,-0.4 2,-0.2 -0.846 13.2-161.4 -97.3 110.1 39.9 44.3 47.8 467 141 B Y > - 0 0 9 -2,-0.7 3,-1.2 -11,-0.2 6,-0.1 -0.631 21.9-126.1 -91.5 151.3 42.5 46.6 46.2 468 142 B Y T 3 S+ 0 0 0 1,-0.2 9,-0.1 -2,-0.2 -1,-0.1 0.380 98.3 75.3 -81.4 6.5 42.3 50.4 46.3 469 143 B D T 3 S+ 0 0 13 3,-0.0 -1,-0.2 53,-0.0 5,-0.1 0.544 74.1 112.5 -88.2 -9.2 42.6 51.0 42.5 470 144 B L S X S- 0 0 48 -3,-1.2 3,-2.0 1,-0.1 4,-0.3 -0.300 82.6-111.1 -65.2 148.1 39.0 49.8 42.2 471 145 B P G > S+ 0 0 100 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.820 111.2 63.8 -46.1 -45.7 36.3 52.4 41.2 472 146 B Q G 3 S+ 0 0 90 1,-0.3 4,-0.3 2,-0.1 -4,-0.1 0.620 98.8 57.2 -61.4 -12.4 34.5 52.4 44.6 473 147 B Y G <> S+ 0 0 3 -3,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.475 79.0 90.8 -97.1 -3.1 37.6 53.9 46.2 474 148 B R H <> S+ 0 0 40 -3,-2.1 4,-2.1 -4,-0.3 5,-0.2 0.899 85.2 51.2 -60.3 -42.1 37.9 56.9 44.0 475 149 B P H > S+ 0 0 83 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.936 109.9 51.9 -60.9 -42.4 35.8 59.1 46.2 476 150 B F H > S+ 0 0 1 -4,-0.3 4,-2.0 1,-0.2 3,-0.3 0.937 109.8 48.0 -56.8 -49.7 38.0 58.1 49.2 477 151 B W H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.845 107.0 57.0 -62.4 -33.7 41.1 59.1 47.2 478 152 B G H X S+ 0 0 21 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.880 109.2 46.2 -64.4 -35.7 39.6 62.4 46.3 479 153 B E H X S+ 0 0 49 -4,-1.8 4,-2.7 -3,-0.3 5,-0.2 0.830 107.9 56.1 -75.3 -33.1 39.1 63.1 50.0 480 154 B V H X>S+ 0 0 3 -4,-2.0 5,-1.3 1,-0.2 4,-1.2 0.939 111.2 44.4 -62.6 -44.7 42.7 62.0 50.8 481 155 B E H <5S+ 0 0 17 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.859 112.4 52.1 -67.4 -36.8 44.0 64.5 48.3 482 156 B K H <5S+ 0 0 65 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.936 113.4 42.6 -65.6 -46.5 41.6 67.2 49.5 483 157 B L H <5S- 0 0 32 -4,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.734 104.8-144.8 -69.4 -22.3 42.8 66.7 53.1 484 158 B D T <5 + 0 0 52 -4,-1.2 -3,-0.2 -5,-0.2 -4,-0.1 0.944 46.8 137.7 54.9 58.2 46.2 66.5 51.7 485 159 B V < - 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