==== 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, TRANSFERASE 18-OCT-06 2ISS . COMPND 2 MOLECULE: PYRIDOXAL BIOSYNTHESIS LYASE PDXS; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR F.ZEIN,Y.ZHANG,Y.N.KANG,K.BURNS,T.P.BEGLEY,S.E.EALICK . 1399 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51557.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1013 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 182 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 6 0.4 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 . 100 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 145 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 395 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 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 3 0 5 6 1 12 20 1 0 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 18 12 6 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 0 3 6 6 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 6 0 0 0 2 1 3 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 0 A H 0 0 159 0, 0.0 2,-0.2 0, 0.0 966,-0.1 0.000 360.0 360.0 360.0 140.8 67.6 1.7 37.9 2 1 A M - 0 0 136 964,-0.1 2,-0.1 1,-0.0 965,-0.0 -0.777 360.0 -29.1-151.2-164.1 64.6 3.5 39.5 3 2 A E - 0 0 153 -2,-0.2 963,-0.5 1,-0.0 2,-0.3 -0.366 57.1-157.0 -63.5 131.6 63.4 5.2 42.6 4 3 A I E -A 965 0A 67 961,-0.1 2,-0.4 -2,-0.1 961,-0.2 -0.797 4.6-154.6-110.8 154.9 65.0 3.9 45.8 5 4 A K E -A 964 0A 106 959,-1.8 959,-2.2 -2,-0.3 2,-0.3 -0.985 9.8-165.5-129.1 138.1 63.7 4.1 49.4 6 5 A K E +A 963 0A 83 -2,-0.4 957,-0.2 957,-0.2 955,-0.1 -0.815 62.7 16.3-120.9 162.9 65.7 4.0 52.6 7 6 A G S S+ 0 0 17 955,-0.9 -1,-0.2 -2,-0.3 2,-0.1 0.764 80.5 152.0 49.1 34.4 65.0 3.5 56.2 8 7 A T > - 0 0 31 -3,-0.2 4,-2.1 1,-0.1 3,-0.4 -0.490 59.4-105.0 -90.1 165.3 61.6 1.9 55.7 9 8 A W H > S+ 0 0 112 1,-0.2 4,-2.7 2,-0.2 5,-0.5 0.857 119.3 55.3 -57.5 -40.3 59.9 -0.6 58.0 10 9 A I H > S+ 0 0 31 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.885 110.9 46.6 -61.8 -36.3 60.6 -3.6 55.8 11 10 A I H > S+ 0 0 0 -3,-0.4 4,-2.4 3,-0.2 -2,-0.2 0.873 116.5 42.3 -73.7 -39.1 64.3 -2.7 55.8 12 11 A K H X S+ 0 0 13 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.969 119.9 41.0 -71.9 -55.2 64.6 -2.2 59.5 13 12 A K H X S+ 0 0 41 -4,-2.7 4,-0.8 1,-0.2 197,-0.2 0.905 118.0 52.2 -57.9 -41.9 62.5 -5.2 60.6 14 13 A G H >X S+ 0 0 0 -4,-1.6 3,-1.3 -5,-0.5 4,-1.0 0.924 100.0 58.4 -62.2 -48.3 64.2 -7.1 57.8 15 14 A F H >< S+ 0 0 5 -4,-2.4 3,-0.9 1,-0.3 4,-0.2 0.894 105.9 51.7 -49.6 -43.1 67.8 -6.2 58.8 16 15 A A H >< S+ 0 0 0 -4,-1.5 3,-1.3 1,-0.2 4,-0.5 0.726 95.7 67.5 -68.4 -24.0 67.1 -7.8 62.2 17 16 A E H X< S+ 0 0 3 -3,-1.3 3,-1.2 -4,-0.8 -1,-0.2 0.843 91.5 64.9 -64.3 -30.6 65.8 -11.0 60.7 18 17 A M T << S+ 0 0 9 -4,-1.0 -1,-0.3 -3,-0.9 879,-0.2 0.668 94.0 60.7 -65.6 -18.6 69.3 -11.6 59.5 19 18 A F T X S+ 0 0 0 -3,-1.3 3,-1.4 -4,-0.2 -1,-0.3 0.667 74.8 123.0 -83.7 -17.9 70.5 -11.9 63.1 20 19 A K T < S+ 0 0 13 -3,-1.2 840,-2.4 -4,-0.5 213,-0.2 -0.085 73.8 22.0 -48.4 140.5 68.3 -14.9 63.9 21 20 A G T 3 S+ 0 0 21 211,-3.5 -1,-0.3 1,-0.3 212,-0.2 0.575 109.8 102.6 77.7 11.1 70.2 -17.9 65.2 22 21 A G < - 0 0 4 -3,-1.4 212,-1.7 210,-0.5 2,-0.4 -0.572 66.5-118.2-121.2-177.0 73.1 -15.8 66.3 23 22 A V E -c 234 0B 1 17,-0.3 19,-2.3 210,-0.2 20,-0.8 -0.981 14.1-156.3-124.9 132.0 74.9 -14.2 69.2 24 23 A I E -cd 235 43B 0 210,-2.1 212,-2.7 -2,-0.4 2,-0.4 -0.942 19.5-155.1-107.8 124.8 75.6 -10.5 69.6 25 24 A M E -cd 236 44B 0 18,-2.0 20,-2.8 -2,-0.5 2,-0.3 -0.840 14.0-129.4-110.0 139.1 78.6 -9.7 71.8 26 25 A D E - d 0 45B 6 210,-1.9 2,-0.4 -2,-0.4 20,-0.2 -0.632 32.9-172.4 -78.0 136.7 79.4 -6.7 74.0 27 26 A V E - d 0 46B 0 18,-3.1 20,-2.0 -2,-0.3 45,-0.1 -0.996 25.1-174.0-137.3 141.8 82.9 -5.4 73.2 28 27 A T S S+ 0 0 35 -2,-0.4 2,-0.3 18,-0.2 -1,-0.1 0.609 71.8 27.3-106.7 -18.5 85.1 -2.8 74.8 29 28 A S S > S- 0 0 27 1,-0.1 4,-1.8 42,-0.1 5,-0.1 -0.827 80.0-106.6-137.9 175.4 88.1 -2.7 72.5 30 29 A A H > S+ 0 0 24 -2,-0.3 4,-1.8 2,-0.2 5,-0.1 0.796 120.1 57.5 -74.4 -27.1 89.1 -3.4 68.9 31 30 A E H > S+ 0 0 144 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.903 107.6 45.2 -69.2 -40.3 90.8 -6.5 70.2 32 31 A Q H > S+ 0 0 36 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.884 107.7 58.1 -69.0 -39.0 87.6 -7.8 71.6 33 32 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.917 108.3 47.6 -56.1 -43.2 85.7 -6.9 68.5 34 33 A K H X S+ 0 0 105 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.868 110.8 49.3 -67.4 -38.9 88.1 -9.1 66.6 35 34 A I H X S+ 0 0 33 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.966 112.8 49.0 -63.5 -50.0 87.8 -12.0 69.0 36 35 A A H X>S+ 0 0 0 -4,-3.2 5,-2.2 1,-0.2 4,-0.9 0.913 113.3 46.3 -53.6 -48.5 84.0 -11.7 68.8 37 36 A E H ><5S+ 0 0 43 -4,-2.6 3,-0.5 -5,-0.2 -1,-0.2 0.888 112.5 49.3 -64.3 -40.6 84.1 -11.6 65.0 38 37 A E H 3<5S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.848 106.3 58.8 -66.8 -33.7 86.5 -14.6 64.7 39 38 A A H 3<5S- 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.741 124.4-101.0 -68.2 -24.2 84.2 -16.5 67.1 40 39 A G T <<5 + 0 0 0 -4,-0.9 -17,-0.3 -3,-0.5 -3,-0.2 0.597 60.6 165.4 111.8 16.7 81.3 -16.2 64.8 41 40 A A < - 0 0 0 -5,-2.2 -1,-0.2 -6,-0.2 -17,-0.2 -0.338 34.6-143.8 -61.9 145.6 79.4 -13.4 66.4 42 41 A V S S- 0 0 0 -19,-2.3 2,-0.3 1,-0.3 -18,-0.2 0.645 77.6 -11.3 -87.3 -14.0 76.7 -11.9 64.2 43 42 A A E -d 24 0B 0 -20,-0.8 -18,-2.0 35,-0.1 2,-0.3 -0.954 64.8-127.3-174.0 159.8 77.3 -8.4 65.5 44 43 A V E -de 25 80B 0 35,-1.9 37,-2.8 -2,-0.3 2,-0.5 -0.878 11.4-139.3-120.9 154.3 79.1 -6.5 68.3 45 44 A M E -de 26 81B 0 -20,-2.8 -18,-3.1 -2,-0.3 2,-0.4 -0.960 22.5-134.6-114.1 118.5 77.8 -3.9 70.8 46 45 A A E +de 27 82B 0 35,-3.2 37,-0.7 -2,-0.5 2,-0.3 -0.602 36.6 157.7 -78.6 125.6 80.2 -1.0 71.5 47 46 A L - 0 0 9 -20,-2.0 3,-0.2 -2,-0.4 16,-0.1 -0.947 47.2-141.2-143.3 162.1 80.7 -0.1 75.1 48 47 A E S S+ 0 0 83 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.812 98.9 4.6 -89.0 -37.7 83.2 1.7 77.4 49 48 A R S S- 0 0 19 -3,-0.1 -1,-0.4 -22,-0.1 5,-0.1 -0.974 84.4-112.5-150.1 131.9 82.6 -0.9 80.1 50 49 A V >> - 0 0 5 -2,-0.3 4,-2.2 -3,-0.2 3,-1.3 -0.125 41.8 -93.9 -60.9 160.1 80.5 -4.1 80.1 51 50 A P H 3> S+ 0 0 9 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.801 123.5 56.6 -42.8 -43.9 77.3 -4.4 82.2 52 51 A A H 3> S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.865 111.6 42.8 -61.9 -36.9 79.1 -6.1 85.2 53 52 A D H <> S+ 0 0 41 -3,-1.3 4,-3.2 2,-0.2 5,-0.3 0.860 106.0 61.8 -76.4 -36.7 81.5 -3.2 85.4 54 53 A I H X S+ 0 0 37 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.899 110.6 42.8 -53.9 -39.8 78.7 -0.7 84.9 55 54 A R H < S+ 0 0 121 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.987 115.6 45.7 -68.6 -61.9 77.3 -2.2 88.2 56 55 A K H < S+ 0 0 87 -4,-2.2 -2,-0.2 1,-0.1 -3,-0.2 0.918 118.4 43.2 -46.6 -56.4 80.6 -2.4 90.1 57 56 A E H < S- 0 0 141 -4,-3.2 2,-0.2 1,-0.1 -3,-0.2 0.986 85.8-172.6 -56.7 -74.7 81.6 1.2 89.1 58 57 A G < + 0 0 48 -4,-1.2 -1,-0.1 -5,-0.3 2,-0.1 -0.688 32.3 104.0 107.8-164.3 78.5 3.3 89.5 59 58 A G S S- 0 0 27 -2,-0.2 2,-0.7 2,-0.1 506,-0.2 -0.367 86.7 -31.0 82.1-166.1 77.9 6.9 88.5 60 59 A V - 0 0 9 504,-2.4 2,-0.7 382,-0.1 49,-0.0 -0.798 57.6-149.6 -96.5 111.8 76.0 8.0 85.4 61 60 A A + 0 0 21 -2,-0.7 49,-0.7 47,-0.1 2,-0.1 -0.678 30.2 162.1 -83.0 116.2 76.2 5.5 82.5 62 61 A R - 0 0 37 -2,-0.7 21,-0.1 1,-0.2 3,-0.1 -0.413 43.7 -50.1-117.5-166.8 75.9 7.4 79.2 63 62 A M - 0 0 34 -2,-0.1 -1,-0.2 1,-0.1 21,-0.1 -0.285 65.7-102.7 -64.1 149.6 76.6 6.9 75.5 64 63 A A - 0 0 11 19,-0.5 2,-0.1 -18,-0.2 -1,-0.1 -0.291 45.4 -87.3 -71.4 165.6 80.1 5.6 74.7 65 64 A S > - 0 0 49 1,-0.1 4,-2.0 -3,-0.1 5,-0.2 -0.467 30.7-124.7 -72.5 144.2 82.7 8.0 73.3 66 65 A I H > S+ 0 0 3 490,-0.5 4,-2.8 1,-0.2 5,-0.3 0.912 112.2 58.2 -55.7 -40.5 82.6 8.5 69.6 67 66 A A H > S+ 0 0 59 490,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.926 105.3 48.1 -54.1 -50.0 86.3 7.5 69.6 68 67 A K H > S+ 0 0 36 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.884 113.2 48.0 -60.2 -40.7 85.6 4.2 71.2 69 68 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.887 110.5 49.7 -69.4 -40.3 82.7 3.4 68.7 70 69 A R H X S+ 0 0 84 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.913 106.3 58.9 -63.7 -40.5 84.8 4.4 65.7 71 70 A E H X S+ 0 0 70 -4,-2.4 4,-0.8 -5,-0.3 -2,-0.2 0.948 112.4 38.3 -50.4 -54.1 87.5 2.1 67.0 72 71 A I H X S+ 0 0 0 -4,-1.7 4,-0.9 1,-0.2 3,-0.3 0.853 111.9 57.1 -69.4 -36.0 85.2 -0.8 66.9 73 72 A M H < S+ 0 0 11 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.901 111.2 44.3 -62.4 -38.9 83.5 0.2 63.7 74 73 A E H < S+ 0 0 149 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.652 105.9 63.9 -79.9 -14.7 86.8 0.1 61.9 75 74 A A H < S+ 0 0 22 -4,-0.8 2,-0.3 -3,-0.3 -1,-0.2 0.708 107.4 26.0 -83.9 -22.2 87.9 -3.1 63.6 76 75 A V < - 0 0 13 -4,-0.9 -42,-0.1 -3,-0.4 4,-0.1 -0.881 59.3-138.6-137.4 168.4 85.3 -5.5 62.1 77 76 A S S S+ 0 0 34 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.485 76.6 94.1-105.6 -7.0 83.1 -5.9 59.1 78 77 A I S S- 0 0 0 1,-0.2 -2,-0.2 819,-0.0 -35,-0.1 -0.468 93.8 -74.7 -81.8 158.6 80.0 -7.2 61.0 79 78 A P - 0 0 0 0, 0.0 -35,-1.9 0, 0.0 2,-0.5 -0.125 45.0-144.6 -52.2 147.3 77.4 -4.7 62.1 80 79 A V E -e 44 0B 0 -37,-0.2 21,-2.3 -3,-0.1 22,-0.9 -0.977 12.9-165.3-120.5 126.7 78.2 -2.5 65.1 81 80 A M E -ef 45 102B 0 -37,-2.8 -35,-3.2 -2,-0.5 2,-0.3 -0.782 0.2-163.6-108.2 154.6 75.5 -1.5 67.6 82 81 A A E -ef 46 103B 1 20,-1.6 22,-2.6 -2,-0.3 2,-0.2 -0.993 15.7-128.1-138.7 143.5 75.8 1.2 70.2 83 82 A K E - f 0 104B 13 -37,-0.7 -19,-0.5 -2,-0.3 2,-0.3 -0.581 21.1-170.0 -90.5 151.1 73.6 1.8 73.4 84 83 A V E - f 0 105B 0 20,-2.6 22,-1.1 -2,-0.2 25,-0.2 -0.975 33.1 -95.5-137.2 151.7 71.9 5.1 74.2 85 84 A R E > - f 0 106B 0 -2,-0.3 3,-2.3 20,-0.2 7,-0.1 -0.386 55.3 -89.4 -66.3 141.7 70.2 6.2 77.4 86 85 A I T 3 S+ 0 0 19 20,-0.6 26,-2.0 23,-0.4 27,-1.9 -0.256 111.5 7.6 -53.3 132.8 66.4 5.8 77.4 87 86 A G T 3 S+ 0 0 4 25,-0.2 2,-1.6 1,-0.2 -1,-0.3 0.455 87.8 135.6 75.1 1.1 64.7 8.8 76.0 88 87 A H <> + 0 0 0 -3,-2.3 4,-1.8 1,-0.2 3,-0.2 -0.551 23.9 173.2 -85.3 80.6 67.9 10.5 74.9 89 88 A I H > S+ 0 0 43 -2,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.898 74.8 55.4 -52.2 -47.0 67.0 11.8 71.5 90 89 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.915 105.2 50.4 -55.0 -49.9 70.2 13.7 71.0 91 90 A E H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.925 112.6 48.8 -55.3 -44.7 72.5 10.7 71.7 92 91 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.878 109.0 51.4 -63.6 -41.0 70.5 8.7 69.1 93 92 A K H X S+ 0 0 50 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.944 111.2 48.9 -61.0 -47.1 70.7 11.5 66.5 94 93 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.939 112.8 47.5 -56.8 -49.3 74.5 11.6 67.0 95 94 A L H X>S+ 0 0 0 -4,-2.6 5,-1.7 2,-0.2 4,-0.9 0.894 109.6 51.7 -61.3 -43.2 74.7 7.9 66.6 96 95 A E H ><5S+ 0 0 37 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.951 111.2 48.6 -58.6 -48.0 72.6 7.7 63.5 97 96 A E H 3<5S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.823 105.4 59.0 -60.2 -33.6 74.8 10.4 62.0 98 97 A L H 3<5S- 0 0 14 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.724 115.6-117.5 -70.2 -19.7 77.9 8.4 63.0 99 98 A G T <<5 + 0 0 11 -3,-1.3 860,-0.3 -4,-0.9 861,-0.2 0.634 49.7 168.2 94.3 12.7 76.6 5.5 60.9 100 99 A V < - 0 0 1 -5,-1.7 -1,-0.2 1,-0.1 -19,-0.2 -0.268 35.0-134.4 -55.6 148.9 76.1 2.9 63.7 101 100 A D S S+ 0 0 0 -21,-2.3 2,-0.3 1,-0.3 -20,-0.2 0.740 82.0 11.7 -83.0 -22.4 74.1 -0.1 62.4 102 101 A F E -f 81 0B 0 -22,-0.9 -20,-1.6 23,-0.1 2,-0.4 -0.901 67.0-145.1-158.5 123.5 71.7 -0.5 65.2 103 102 A I E -fg 82 127B 0 23,-2.3 25,-1.9 -2,-0.3 2,-0.6 -0.740 10.5-153.9 -92.0 139.4 70.9 1.7 68.2 104 103 A D E -fg 83 128B 0 -22,-2.6 -20,-2.6 -2,-0.4 2,-1.7 -0.921 5.3-161.9-116.8 105.4 70.0 0.1 71.5 105 104 A E E +fg 84 129B 2 23,-1.3 25,-0.6 -2,-0.6 2,-0.2 -0.699 36.5 178.1 -81.8 87.9 67.8 2.3 73.8 106 105 A S E > -f 85 0B 0 -2,-1.7 -20,-0.6 -22,-1.1 3,-0.5 -0.646 44.0-143.0-103.8 158.7 68.8 0.2 76.8 107 106 A E T 3 S+ 0 0 53 -2,-0.2 -1,-0.1 1,-0.2 -22,-0.1 0.384 90.2 83.0 -93.4 2.3 68.0 0.3 80.5 108 107 A V T 3 S+ 0 0 28 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.576 88.2 68.8 -81.2 -6.4 71.5 -0.8 81.5 109 108 A L S < S- 0 0 8 -3,-0.5 -23,-0.4 -25,-0.2 -47,-0.1 -0.858 109.2 -85.0-111.0 147.6 72.4 2.9 81.1 110 109 A T - 0 0 8 -49,-0.7 -2,-0.1 -2,-0.3 -25,-0.1 -0.278 55.4-116.2 -51.8 109.6 71.2 5.7 83.3 111 110 A P - 0 0 53 0, 0.0 335,-0.3 0, 0.0 -24,-0.1 -0.168 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69.2 -15.6 69.5 234 233 A V E -cj 23 213B 0 -212,-1.7 -210,-2.1 -2,-0.3 2,-0.5 -0.942 8.2-141.8-133.2 153.9 71.1 -14.1 72.5 235 234 A F E -cj 24 214B 13 -22,-2.1 -20,-0.6 -2,-0.3 2,-0.4 -0.918 23.6-173.8-105.4 129.6 72.9 -11.0 73.6 236 235 A V E +c 25 0B 2 -212,-2.7 -210,-1.9 -2,-0.5 -18,-0.1 -0.984 19.1 148.6-130.2 121.1 76.0 -11.8 75.7 237 236 A G S >> S+ 0 0 11 -2,-0.4 4,-0.9 -212,-0.2 3,-0.7 0.715 74.7 16.7-110.2 -78.5 78.0 -9.0 77.3 238 237 A S H 3> S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.864 111.0 73.8 -68.2 -40.8 79.8 -9.8 80.6 239 238 A G H 34 S+ 0 0 3 -22,-0.4 38,-0.4 1,-0.2 -1,-0.2 0.648 102.5 39.1 -50.7 -22.6 79.6 -13.6 80.3 240 239 A I H X4 S+ 0 0 1 -3,-0.7 3,-1.0 2,-0.1 9,-0.2 0.894 121.9 33.4 -96.0 -55.8 82.3 -13.9 77.6 241 240 A F H 3< S+ 0 0 29 -4,-0.9 -2,-0.2 1,-0.2 -3,-0.1 0.647 112.4 62.5 -80.0 -11.3 85.0 -11.4 78.4 242 241 A K T 3< S+ 0 0 93 -4,-2.2 -1,-0.2 -5,-0.2 36,-0.2 0.302 93.6 84.3 -92.6 8.8 84.5 -11.7 82.2 243 242 A S S < S- 0 0 12 -3,-1.0 31,-0.1 -5,-0.1 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3,-0.3 0.961 108.2 51.5 -57.3 -52.8 78.3 -19.6 72.8 254 253 A V H X S+ 0 0 4 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.890 113.6 44.8 -52.2 -43.2 78.0 -19.2 69.0 255 254 A L H X S+ 0 0 13 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.787 108.3 56.8 -74.7 -27.6 77.8 -23.0 68.7 256 255 A A H < S+ 0 0 0 -4,-2.2 -2,-0.2 -3,-0.3 -1,-0.2 0.890 104.8 51.3 -71.1 -38.9 75.3 -23.5 71.5 257 256 A V H < S+ 0 0 2 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.854 116.2 42.4 -66.0 -31.9 72.8 -21.1 70.0 258 257 A T H < S+ 0 0 4 -4,-1.0 3,-0.3 -5,-0.3 -2,-0.2 0.905 125.1 32.5 -79.7 -43.2 73.0 -23.1 66.7 259 258 A Y S >< S+ 0 0 1 -4,-2.7 3,-1.8 1,-0.2 7,-0.3 -0.201 73.0 133.0-109.1 42.4 73.0 -26.6 68.2 260 259 A W T 3 S+ 0 0 77 -3,-0.4 -1,-0.2 1,-0.3 -3,-0.1 0.748 77.4 49.3 -63.6 -24.4 70.8 -26.0 71.3 261 260 A D T 3 S+ 0 0 84 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.160 94.1 85.4-100.5 19.6 68.8 -29.1 70.4 262 261 A N <> - 0 0 26 -3,-1.8 4,-2.9 -6,-0.2 5,-0.2 -0.804 51.7-176.7-123.6 91.1 72.0 -31.3 70.0 263 262 A P H > S+ 0 0 98 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.860 84.2 57.9 -53.0 -40.4 73.2 -32.8 73.3 264 263 A R H > S+ 0 0 155 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.959 113.7 38.3 -56.5 -50.4 76.2 -34.4 71.7 265 264 A I H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.883 112.1 56.2 -69.1 -39.9 77.4 -31.1 70.4 266 265 A L H X S+ 0 0 27 -4,-2.9 4,-0.5 -7,-0.3 -1,-0.2 0.904 110.7 46.7 -59.0 -39.6 76.4 -29.1 73.5 267 266 A L H >X S+ 0 0 105 -4,-2.5 4,-1.3 -5,-0.2 3,-0.5 0.881 109.4 54.7 -68.8 -38.8 78.5 -31.5 75.6 268 267 A K H >< S+ 0 0 115 -4,-1.8 3,-0.7 1,-0.2 4,-0.4 0.949 110.1 44.3 -60.0 -50.5 81.4 -31.2 73.1 269 268 A I H 3< S+ 0 0 17 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.587 114.8 52.3 -72.8 -8.0 81.5 -27.4 73.3 270 269 A S H << S+ 0 0 45 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.2 0.621 79.7 91.3 -99.3 -19.3 81.2 -27.7 77.1 271 270 A E S << S+ 0 0 137 -4,-1.3 2,-0.3 -3,-0.7 -2,-0.1 0.829 109.1 4.9 -44.5 -38.8 84.1 -30.2 77.6 272 271 A D + 0 0 98 -4,-0.4 -1,-0.2 -3,-0.1 0, 0.0 -0.937 68.6 136.7-152.6 128.5 86.2 -27.1 78.1 273 272 A I - 0 0 24 -2,-0.3 -28,-0.4 1,-0.3 -24,-0.3 0.361 58.1-119.4-146.2 -10.7 85.3 -23.5 78.2 274 273 A G - 0 0 34 -30,-0.1 -1,-0.3 -26,-0.1 -31,-0.0 -0.665 58.4 -32.0 98.3-158.3 87.3 -22.1 81.1 275 274 A E - 0 0 114 -2,-0.2 -31,-1.5 0, 0.0 3,-0.1 -0.894 60.5-137.1-106.8 113.3 85.8 -20.5 84.2 276 275 A P - 0 0 29 0, 0.0 -57,-0.1 0, 0.0 -36,-0.1 -0.231 44.5 -77.3 -61.0 155.2 82.5 -18.6 83.7 277 276 A M - 0 0 28 -38,-0.4 -34,-0.1 -59,-0.3 -38,-0.0 -0.169 42.4-119.9 -51.1 150.3 82.3 -15.3 85.5 278 277 A R - 0 0 223 -36,-0.2 -1,-0.1 -3,-0.1 -35,-0.0 0.885 48.0-153.4 -62.7 -40.0 81.6 -15.8 89.2 279 278 A G - 0 0 39 -124,-0.1 2,-0.4 2,-0.1 -122,-0.2 0.082 10.9 -96.5 84.6 161.3 78.3 -13.9 89.0 280 279 A L 0 0 111 -124,-2.1 -122,-0.1 1,-0.1 -1,-0.0 -0.968 360.0 360.0-120.0 131.7 76.3 -11.9 91.6 281 280 A D 0 0 184 -2,-0.4 -1,-0.1 -124,-0.0 -2,-0.1 0.386 360.0 360.0-149.4 360.0 73.4 -13.4 93.5 282 !* 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 0.0 283 -4 B P 0 0 150 0, 0.0 905,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 89.3 76.0 68.5 69.5 284 -3 B R - 0 0 99 1,-0.2 904,-3.2 903,-0.1 905,-0.3 0.835 360.0-178.2 -63.0 -40.9 74.0 67.2 72.5 285 -2 B G + 0 0 44 902,-0.2 901,-0.2 901,-0.1 -1,-0.2 -0.407 50.4 4.3 73.6-151.6 71.0 65.7 70.7 286 -1 B S B +k 1186 0C 9 899,-1.9 901,-3.2 868,-0.2 902,-0.2 -0.203 54.9 159.8 -66.9 155.7 68.2 64.2 72.9 287 0 B H + 0 0 103 899,-0.2 3,-0.1 865,-0.1 866,-0.1 -0.030 19.9 144.1-171.9 51.8 68.3 64.2 76.7 288 1 B M - 0 0 84 864,-0.6 -2,-0.0 1,-0.2 0, 0.0 -0.293 61.0 -54.4 -88.7 178.5 64.8 63.6 78.2 289 2 B E - 0 0 152 -2,-0.1 863,-0.6 862,-0.1 2,-0.3 -0.127 55.2-152.9 -54.2 149.2 64.0 61.7 81.3 290 3 B I E -R 1151 0D 60 861,-0.2 2,-0.4 -3,-0.1 861,-0.2 -0.846 3.1-147.7-122.9 158.5 65.2 58.1 81.6 291 4 B K E -R 1150 0D 106 859,-2.0 859,-2.3 -2,-0.3 2,-0.3 -0.989 12.8-165.1-130.3 137.8 63.9 55.1 83.6 292 5 B K E +R 1149 0D 80 -2,-0.4 857,-0.2 857,-0.2 855,-0.1 -0.808 62.6 15.9-120.2 162.8 65.9 52.3 85.1 293 6 B G S S+ 0 0 17 855,-0.9 -1,-0.2 -2,-0.3 2,-0.2 0.773 80.5 152.4 48.6 35.4 65.2 48.9 86.5 294 7 B T > - 0 0 31 -3,-0.2 4,-2.1 1,-0.1 3,-0.5 -0.495 59.1-105.2 -90.2 164.6 61.8 48.6 84.8 295 8 B W H > S+ 0 0 114 1,-0.2 4,-2.8 2,-0.2 5,-0.5 0.861 119.5 55.1 -56.8 -41.0 60.1 45.3 83.8 296 9 B I H > S+ 0 0 34 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.872 111.2 46.6 -61.9 -35.4 60.8 45.8 80.1 297 10 B I H > S+ 0 0 0 -3,-0.5 4,-2.4 3,-0.2 -2,-0.2 0.878 116.8 41.8 -74.4 -40.0 64.5 46.2 80.9 298 11 B K H X S+ 0 0 12 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.966 120.2 41.2 -71.6 -54.9 64.7 43.2 83.3 299 12 B K H X S+ 0 0 45 -4,-2.8 4,-0.8 1,-0.2 197,-0.2 0.910 117.9 52.1 -58.0 -41.8 62.6 40.9 81.2 300 13 B G H >X S+ 0 0 0 -4,-1.5 3,-1.3 -5,-0.5 4,-1.0 0.918 99.9 58.5 -61.8 -48.9 64.4 42.3 78.1 301 14 B F H >< S+ 0 0 7 -4,-2.4 3,-1.0 1,-0.3 4,-0.3 0.899 105.8 51.9 -48.7 -44.2 67.9 41.8 79.4 302 15 B A H >< S+ 0 0 0 -4,-1.5 3,-1.3 1,-0.3 4,-0.4 0.732 95.6 67.3 -67.6 -24.5 67.2 38.0 79.7 303 16 B E H X< S+ 0 0 4 -3,-1.3 3,-1.2 -4,-0.8 -1,-0.3 0.838 91.6 65.0 -64.4 -29.3 65.9 37.8 76.1 304 17 B M T << S+ 0 0 9 -3,-1.0 -1,-0.3 -4,-1.0 779,-0.2 0.699 93.8 60.6 -66.5 -19.2 69.5 38.5 75.1 305 18 B F T X S+ 0 0 0 -3,-1.3 3,-1.4 -4,-0.3 -1,-0.3 0.663 74.9 123.9 -83.1 -16.9 70.6 35.2 76.6 306 19 B K T < S+ 0 0 16 -3,-1.2 740,-2.3 -4,-0.4 213,-0.2 -0.086 73.9 21.3 -48.8 140.5 68.4 33.0 74.4 307 20 B G T 3 S+ 0 0 21 211,-3.5 -1,-0.3 1,-0.3 212,-0.2 0.593 110.0 104.5 76.7 12.7 70.3 30.4 72.4 308 21 B G < - 0 0 4 -3,-1.4 212,-1.7 210,-0.4 2,-0.4 -0.570 66.0-119.7-121.1-177.8 73.2 30.5 74.8 309 22 B V E -t 520 0E 1 17,-0.3 19,-2.4 210,-0.2 20,-0.8 -0.984 13.9-156.5-125.4 131.7 75.0 28.8 77.7 310 23 B I E -tu 521 329E 0 210,-2.0 212,-2.8 -2,-0.4 2,-0.4 -0.943 19.4-154.6-107.8 125.4 75.7 30.3 81.2 311 24 B M E -tu 522 330E 0 18,-2.1 20,-2.9 -2,-0.5 2,-0.3 -0.841 13.9-129.3-109.9 138.7 78.7 28.7 82.9 312 25 B D E - u 0 331E 5 210,-1.9 2,-0.4 -2,-0.4 20,-0.2 -0.646 33.1-172.3 -78.1 136.3 79.5 28.4 86.6 313 26 B V E - u 0 332E 0 18,-3.0 20,-2.1 -2,-0.3 45,-0.1 -0.996 25.3-174.3-136.7 140.9 83.0 29.7 87.3 314 27 B T S S+ 0 0 35 -2,-0.4 2,-0.3 18,-0.2 -1,-0.1 0.609 71.9 26.9-105.9 -18.2 85.2 29.6 90.4 315 28 B S S > S- 0 0 28 1,-0.1 4,-1.8 42,-0.1 5,-0.1 -0.830 79.8-106.6-138.6 175.4 88.1 31.6 89.3 316 29 B A H > S+ 0 0 23 -2,-0.3 4,-1.7 2,-0.2 5,-0.1 0.795 120.2 57.5 -74.8 -27.3 89.2 34.4 87.0 317 30 B E H > S+ 0 0 144 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.899 107.5 45.4 -69.4 -39.7 90.9 31.7 84.9 318 31 B Q H > S+ 0 0 37 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.879 107.8 57.8 -69.7 -37.9 87.7 29.8 84.5 319 32 B A H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.921 108.2 47.9 -56.9 -43.4 85.8 33.0 83.7 320 33 B K H X S+ 0 0 105 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.864 110.8 49.1 -67.1 -38.2 88.2 33.6 80.8 321 34 B I H X S+ 0 0 34 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.962 112.9 48.9 -64.5 -49.7 87.9 30.0 79.5 322 35 B A H X>S+ 0 0 0 -4,-3.2 5,-2.3 1,-0.2 4,-0.9 0.914 113.4 46.4 -53.8 -48.4 84.1 30.3 79.7 323 36 B E H ><5S+ 0 0 41 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 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