==== 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 OXIDOREDUCTASE 03-DEC-09 2WZT . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR J.SCOBLE,A.D.MCALISTER,Z.FULTON,S.TROY,E.BYRES,J.P.VIVIAN, . 518 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19389.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.3 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 23 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.9 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 4 2 3 5 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 4 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 PARALLEL BRIDGES PER LADDER . 2 0 2 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 . 2 0 0 0 0 0 0 2 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 10 A A 0 0 139 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.9 20.7 2.0 8.1 2 11 A I - 0 0 64 37,-0.1 238,-0.0 14,-0.0 37,-0.0 -0.914 360.0-128.8 -99.7 118.4 18.2 4.4 9.8 3 12 A P - 0 0 64 0, 0.0 12,-2.1 0, 0.0 13,-0.3 -0.141 21.8-144.7 -62.3 155.9 15.0 4.8 7.8 4 13 A T E -A 14 0A 70 10,-0.3 2,-0.4 11,-0.1 8,-0.0 -0.735 6.2-132.1-115.6 165.1 13.7 8.2 6.8 5 14 A V E -A 13 0A 23 8,-2.5 8,-1.8 -2,-0.2 2,-0.6 -0.891 23.9-129.0-105.0 148.6 10.2 9.9 6.4 6 15 A T E -A 12 0A 100 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.905 24.1-143.4-100.7 121.2 9.6 11.9 3.4 7 16 A L > - 0 0 4 4,-3.3 3,-2.1 -2,-0.6 174,-0.1 -0.304 26.8-104.6 -75.1 161.0 8.2 15.4 4.1 8 17 A N T 3 S+ 0 0 61 172,-0.4 -1,-0.1 1,-0.3 149,-0.1 0.694 123.1 56.3 -59.0 -18.5 5.5 17.3 2.1 9 18 A D T 3 S- 0 0 30 2,-0.1 -1,-0.3 148,-0.0 3,-0.1 0.266 121.0-108.9 -94.2 10.9 8.4 19.6 0.8 10 19 A D S < S+ 0 0 133 -3,-2.1 -2,-0.1 1,-0.3 2,-0.1 0.247 81.4 123.6 73.1 -5.7 10.2 16.4 -0.6 11 20 A N - 0 0 56 122,-0.1 -4,-3.3 -5,-0.1 2,-0.3 -0.349 52.6-137.7 -74.2 162.0 13.0 16.7 2.1 12 21 A T E -A 6 0A 51 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.0 -0.925 15.1-168.0-125.4 146.8 13.6 13.6 4.3 13 22 A L E -A 5 0A 4 -8,-1.8 -8,-2.5 -2,-0.3 29,-0.0 -0.997 33.0-102.9-130.1 147.0 14.3 13.2 8.0 14 23 A P E -A 4 0A 8 0, 0.0 -10,-0.3 0, 0.0 -9,-0.0 -0.252 30.4-125.6 -58.0 151.3 15.5 10.2 10.0 15 24 A V S S+ 0 0 10 -12,-2.1 211,-2.6 210,-0.1 2,-0.3 0.536 92.5 47.3 -81.0 -8.3 12.7 8.5 12.0 16 25 A V E +b 226 0B 4 -13,-0.3 26,-0.5 209,-0.2 25,-0.4 -0.976 64.5 159.6-133.5 149.3 14.6 8.8 15.3 17 26 A G E -bc 227 42B 0 209,-1.8 211,-2.6 -2,-0.3 2,-0.4 -0.934 32.2-113.6-156.5 169.0 16.5 11.7 16.9 18 27 A I E -bc 228 43B 2 24,-2.5 26,-3.3 -2,-0.3 2,-0.3 -0.936 22.1-148.6-118.4 145.6 17.8 12.9 20.2 19 28 A G E -bc 229 44B 5 209,-2.7 211,-0.9 -2,-0.4 26,-0.2 -0.855 11.0-164.0-111.6 149.1 16.7 16.0 22.2 20 29 A V > + 0 0 0 24,-1.8 3,-1.5 -2,-0.3 26,-0.1 -0.001 33.9 149.6-119.4 26.3 18.7 18.3 24.4 21 30 A G T 3 S+ 0 0 10 1,-0.2 209,-0.2 23,-0.1 3,-0.1 -0.327 72.0 11.2 -58.6 142.1 15.8 20.1 26.3 22 31 A E T 3 S+ 0 0 65 1,-0.2 2,-0.4 430,-0.1 -1,-0.2 0.694 96.4 134.2 60.2 22.6 16.8 21.1 29.9 23 32 A L < - 0 0 37 -3,-1.5 -1,-0.2 4,-0.0 -3,-0.1 -0.850 53.9-128.5-101.2 141.2 20.4 20.4 29.4 24 33 A S > - 0 0 54 -2,-0.4 4,-3.2 -3,-0.1 5,-0.3 -0.296 37.2 -98.7 -68.2 165.7 23.3 22.7 30.5 25 34 A D H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.905 127.0 49.0 -52.3 -45.5 25.9 23.6 27.8 26 35 A S H > S+ 0 0 60 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 114.3 44.6 -61.2 -45.8 28.2 20.9 29.3 27 36 A E H > S+ 0 0 71 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.912 112.9 50.3 -66.3 -47.6 25.5 18.3 29.3 28 37 A A H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 5,-0.3 0.892 110.7 49.2 -59.5 -42.2 24.2 19.1 25.8 29 38 A E H X S+ 0 0 59 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.965 114.9 45.2 -65.0 -48.0 27.7 18.9 24.3 30 39 A R H X S+ 0 0 153 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.907 115.6 46.7 -55.8 -48.0 28.3 15.6 26.0 31 40 A S H X S+ 0 0 22 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.917 114.1 45.8 -66.2 -46.3 24.9 14.2 25.0 32 41 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.923 113.5 50.8 -62.6 -42.6 25.1 15.3 21.3 33 42 A S H X S+ 0 0 44 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.940 113.5 45.2 -57.7 -50.9 28.7 14.0 21.1 34 43 A A H X S+ 0 0 9 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.928 113.4 49.2 -55.6 -52.3 27.6 10.6 22.5 35 44 A A H X>S+ 0 0 2 -4,-2.7 5,-2.3 1,-0.2 4,-0.9 0.899 111.3 49.0 -57.1 -45.9 24.5 10.3 20.3 36 45 A L H ><5S+ 0 0 2 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.887 110.9 49.7 -63.6 -40.1 26.5 11.2 17.1 37 46 A E H 3<5S+ 0 0 157 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.844 109.8 52.6 -69.8 -29.9 29.2 8.6 17.9 38 47 A A H 3<5S- 0 0 38 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.641 129.4 -93.7 -77.5 -16.1 26.4 6.0 18.5 39 48 A G T <<5S+ 0 0 25 -4,-0.9 -3,-0.2 -3,-0.5 2,-0.1 0.357 76.3 139.2 119.8 -4.9 24.8 6.7 15.1 40 49 A Y < + 0 0 3 -5,-2.3 -1,-0.4 -6,-0.1 -23,-0.1 -0.483 17.7 171.1 -64.7 141.9 22.1 9.3 15.7 41 50 A R + 0 0 65 -25,-0.4 29,-3.0 -2,-0.1 2,-0.6 0.532 54.9 80.9-126.7 -23.5 21.9 12.0 13.0 42 51 A L E -cd 17 70B 0 -26,-0.5 -24,-2.5 27,-0.2 2,-0.5 -0.795 60.2-173.6 -90.0 119.4 18.8 13.9 13.9 43 52 A I E -cd 18 71B 0 27,-2.6 29,-2.7 -2,-0.6 2,-0.7 -0.951 9.5-156.8-119.7 124.9 19.4 16.4 16.7 44 53 A D E +cd 19 72B 0 -26,-3.3 -24,-1.8 -2,-0.5 2,-0.2 -0.894 28.3 145.8-110.1 113.9 16.6 18.4 18.3 45 54 A T - 0 0 0 27,-2.5 2,-0.3 -2,-0.7 -24,-0.1 -0.676 26.4-152.5-128.4-175.7 17.5 21.7 20.0 46 55 A A >> - 0 0 0 27,-0.2 3,-1.0 -2,-0.2 4,-0.5 -0.967 28.5-120.9-158.7 148.4 15.8 25.1 20.4 47 56 A A G >4 S+ 0 0 15 27,-1.9 3,-1.6 -2,-0.3 5,-0.2 0.895 113.7 59.8 -58.7 -37.9 16.8 28.7 20.9 48 57 A A G 34 S+ 0 0 42 1,-0.3 -1,-0.2 26,-0.2 27,-0.1 0.686 93.8 65.8 -63.9 -22.1 14.8 28.7 24.3 49 58 A Y G <4 S- 0 0 36 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.751 94.1-144.1 -71.3 -26.9 17.1 26.0 25.5 50 59 A G S << S+ 0 0 56 -3,-1.6 3,-0.2 -4,-0.5 4,-0.1 0.536 75.4 96.6 76.0 5.2 20.1 28.3 25.5 51 60 A N > + 0 0 1 -5,-0.5 4,-2.1 1,-0.1 5,-0.2 0.116 37.8 113.3-115.0 21.8 22.4 25.4 24.4 52 61 A E H > S+ 0 0 1 2,-0.2 4,-2.5 -6,-0.2 5,-0.2 0.897 79.1 51.7 -58.2 -41.7 22.6 25.9 20.6 53 62 A A H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 109.9 49.8 -63.2 -42.9 26.3 26.8 20.7 54 63 A A H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.889 111.2 48.6 -58.9 -45.1 27.1 23.6 22.8 55 64 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.921 112.2 49.2 -60.2 -46.8 25.1 21.5 20.3 56 65 A G H X S+ 0 0 6 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.851 107.3 55.2 -64.5 -35.9 27.0 23.2 17.4 57 66 A R H X S+ 0 0 113 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.916 109.8 46.5 -62.8 -41.7 30.3 22.5 19.1 58 67 A A H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.918 111.8 50.4 -66.4 -46.3 29.5 18.8 19.3 59 68 A I H >X S+ 0 0 10 -4,-2.5 3,-0.5 1,-0.2 4,-0.5 0.955 114.8 43.9 -54.8 -52.2 28.4 18.7 15.7 60 69 A A H >< S+ 0 0 82 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.910 111.3 53.9 -58.0 -47.1 31.6 20.4 14.5 61 70 A A H 3< S+ 0 0 77 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.738 95.8 70.2 -60.5 -27.6 33.8 18.2 16.8 62 71 A S H << S- 0 0 44 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.748 87.5-142.0 -66.6 -28.1 32.4 15.0 15.4 63 72 A G << + 0 0 70 -3,-1.1 -1,-0.1 -4,-0.5 -3,-0.1 0.494 51.6 143.5 72.7 2.5 34.0 15.2 11.9 64 73 A I - 0 0 33 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.558 63.8 -97.6 -73.5 134.3 30.8 13.7 10.5 65 74 A P > - 0 0 64 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.324 28.6-128.2 -54.6 132.9 30.0 15.3 7.1 66 75 A R G > S+ 0 0 56 1,-0.3 3,-1.8 2,-0.2 -2,-0.1 0.829 106.0 62.0 -47.2 -41.8 27.4 18.1 7.5 67 76 A D G 3 S+ 0 0 115 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.540 99.3 55.3 -72.6 -6.1 25.1 16.5 4.9 68 77 A E G < S+ 0 0 94 -3,-2.3 2,-0.4 2,-0.0 -1,-0.3 0.439 97.4 78.6 -95.8 -6.6 24.7 13.4 7.0 69 78 A I < - 0 0 1 -3,-1.8 2,-0.6 -4,-0.4 -27,-0.2 -0.845 65.2-154.5-108.6 140.8 23.4 15.3 10.0 70 79 A Y E -d 42 0B 54 -29,-3.0 -27,-2.6 -2,-0.4 2,-0.5 -0.944 14.1-165.3-118.5 106.4 19.9 16.7 10.4 71 80 A V E -d 43 0B 0 -2,-0.6 32,-2.0 -29,-0.2 31,-1.7 -0.843 4.8-172.0-100.6 126.8 19.8 19.7 12.7 72 81 A T E +de 44 103B 0 -29,-2.7 -27,-2.5 -2,-0.5 2,-0.3 -0.965 12.4 161.4-111.9 131.8 16.5 20.9 14.1 73 82 A T E - e 0 104B 0 30,-2.1 32,-2.0 -2,-0.4 2,-0.3 -0.857 22.3-133.0-139.3 179.8 16.1 24.1 16.1 74 83 A K E - e 0 105B 0 -2,-0.3 -27,-1.9 30,-0.2 2,-0.4 -0.969 18.9-107.7-142.2 145.4 13.3 26.4 17.0 75 84 A L E - e 0 106B 2 30,-2.8 32,-0.9 -2,-0.3 2,-0.2 -0.581 40.5-126.7 -68.9 122.2 12.2 30.0 17.2 76 85 A A > - 0 0 9 -2,-0.4 3,-1.9 1,-0.1 4,-0.1 -0.534 19.1-119.7 -71.3 143.7 12.1 31.2 20.8 77 86 A T G > S+ 0 0 9 1,-0.3 3,-2.0 379,-0.2 -1,-0.1 0.871 111.4 59.9 -56.4 -40.6 8.7 32.8 21.7 78 87 A P G 3 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 0.722 104.2 54.0 -57.5 -21.4 10.2 36.2 22.6 79 88 A D G < S+ 0 0 66 -3,-1.9 9,-0.2 6,-0.0 -2,-0.2 0.269 79.4 134.8 -95.0 6.7 11.4 36.4 19.0 80 89 A Q < + 0 0 12 -3,-2.0 2,-0.2 -4,-0.1 4,-0.1 -0.293 29.8 82.9 -60.8 143.5 8.1 35.8 17.3 81 90 A G S > S- 0 0 12 34,-0.3 4,-1.2 1,-0.1 5,-0.1 -0.727 81.9 -87.6 146.8 172.3 7.1 38.0 14.4 82 91 A F H > S+ 0 0 77 -2,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.968 123.4 27.1 -72.0 -54.3 7.5 38.3 10.6 83 92 A T H > S+ 0 0 114 2,-0.2 4,-1.3 1,-0.1 3,-0.4 0.904 123.0 51.7 -72.2 -43.6 10.7 40.4 10.6 84 93 A S H > S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.841 103.1 57.7 -70.4 -34.3 12.1 39.2 14.0 85 94 A S H X S+ 0 0 0 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.838 104.3 53.0 -64.0 -32.2 11.8 35.4 13.2 86 95 A Q H X S+ 0 0 37 -4,-0.7 4,-1.3 -3,-0.4 -1,-0.2 0.887 111.9 44.9 -70.1 -40.4 14.0 35.9 10.1 87 96 A A H X S+ 0 0 60 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.892 112.5 53.5 -63.7 -43.7 16.7 37.6 12.3 88 97 A A H X S+ 0 0 8 -4,-2.6 4,-2.6 -9,-0.2 -2,-0.2 0.887 103.7 54.0 -61.8 -44.6 16.2 34.9 14.9 89 98 A A H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.925 112.2 46.1 -52.2 -44.7 16.8 32.0 12.4 90 99 A R H X S+ 0 0 102 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.887 109.3 52.9 -71.6 -37.4 20.1 33.7 11.5 91 100 A A H X S+ 0 0 40 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.890 108.6 51.9 -62.4 -40.7 21.1 34.3 15.1 92 101 A S H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 5,-0.2 0.936 107.9 51.4 -59.4 -48.3 20.5 30.5 15.7 93 102 A L H X>S+ 0 0 18 -4,-2.1 5,-2.5 1,-0.2 4,-1.2 0.872 109.1 51.2 -53.5 -40.6 22.8 29.7 12.8 94 103 A E H <5S+ 0 0 151 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.914 113.0 44.0 -68.5 -42.7 25.5 31.9 14.2 95 104 A R H <5S+ 0 0 101 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.937 115.5 48.5 -66.1 -42.7 25.3 30.2 17.6 96 105 A L H <5S- 0 0 3 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.693 106.2-130.0 -68.6 -18.4 25.1 26.7 16.0 97 106 A G T <5 + 0 0 66 -4,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.838 64.9 131.6 68.1 32.4 28.1 27.6 13.8 98 107 A L < - 0 0 23 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.840 62.8-145.2-118.1 156.6 26.1 26.4 10.8 99 108 A D S S- 0 0 150 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.639 88.2 -1.1 -86.8 -20.2 25.2 27.7 7.2 100 109 A Y - 0 0 25 -7,-0.1 2,-0.3 32,-0.0 -1,-0.2 -0.975 62.9-133.6-156.5 162.2 21.7 26.1 7.3 101 110 A V E - f 0 132B 2 30,-2.1 32,-2.2 -2,-0.3 33,-0.2 -0.898 14.6-139.1-115.3 155.6 19.5 24.0 9.5 102 111 A D E S+ 0 0 9 -31,-1.7 32,-1.0 -2,-0.3 2,-0.4 0.831 89.1 17.8 -79.0 -34.5 17.5 21.0 8.3 103 112 A L E -ef 72 134B 0 -32,-2.0 -30,-2.1 30,-0.2 2,-0.4 -0.991 63.5-173.2-143.3 130.0 14.3 21.8 10.2 104 113 A Y E -ef 73 135B 1 30,-2.1 32,-2.2 -2,-0.4 2,-0.4 -0.989 15.5-168.3-128.6 125.4 13.3 25.1 11.8 105 114 A L E -ef 74 136B 0 -32,-2.0 -30,-2.8 -2,-0.4 2,-0.4 -0.883 29.6-124.0-122.9 144.8 10.1 25.3 14.0 106 115 A I E -ef 75 137B 0 30,-2.1 32,-1.3 -2,-0.4 -30,-0.1 -0.682 28.7-149.0 -71.1 131.4 7.8 27.7 15.7 107 116 A H - 0 0 2 -32,-0.9 -1,-0.1 -2,-0.4 -31,-0.1 0.905 69.7 -0.6 -76.1 -39.7 7.9 26.6 19.3 108 117 A W - 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0 0 14 -3,-0.4 5,-0.1 -5,-0.2 -5,-0.0 0.588 34.3-143.6 -82.1 -9.5 -1.3 8.8 21.9 169 178 A Q > + 0 0 46 1,-0.1 4,-2.7 -5,-0.1 5,-0.2 0.790 38.9 159.0 53.8 35.2 -2.5 11.9 20.1 170 179 A A H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.910 73.0 48.0 -54.4 -43.8 -4.7 9.8 17.7 171 180 A A H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.956 113.0 45.0 -64.5 -49.0 -6.9 12.8 16.9 172 181 A L H > S+ 0 0 25 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.835 110.3 55.9 -65.9 -32.8 -4.0 15.2 16.2 173 182 A R H X S+ 0 0 44 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.867 107.4 49.5 -64.6 -38.2 -2.2 12.6 14.2 174 183 A E H X S+ 0 0 142 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.891 111.4 48.6 -63.0 -43.1 -5.4 12.4 12.1 175 184 A V H X S+ 0 0 43 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.969 113.1 48.3 -59.4 -53.4 -5.4 16.2 11.7 176 185 A N H ><>S+ 0 0 0 -4,-3.0 5,-2.7 1,-0.2 3,-0.8 0.900 109.7 51.2 -52.7 -48.3 -1.7 16.2 10.7 177 186 A A H ><5S+ 0 0 52 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.873 102.6 60.6 -61.2 -38.8 -2.2 13.4 8.1 178 187 A G H 3<5S+ 0 0 65 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.804 111.8 39.2 -57.0 -34.4 -5.1 15.3 6.5 179 188 A Y T <<5S- 0 0 66 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.391 115.8-114.1 -91.3 1.1 -2.6 18.2 5.8 180 189 A N T < 5 + 0 0 121 -3,-1.5 2,-0.4 -4,-0.3 -172,-0.4 0.867 67.0 150.6 60.1 37.1 0.3 15.8 4.9 181 190 A I < - 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0 0 77 -5,-2.6 -1,-0.2 -6,-0.1 2,-0.2 -0.745 65.6 -98.1-116.7 168.7 13.7 -6.1 23.6 210 219 A T > - 0 0 59 -2,-0.2 4,-2.1 28,-0.1 5,-0.2 -0.531 32.5-113.1 -81.6 160.0 13.8 -3.4 26.3 211 220 A A H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.881 119.1 52.7 -56.7 -41.0 10.7 -1.5 27.3 212 221 A A H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.897 106.9 52.6 -64.6 -39.6 12.2 1.7 25.8 213 222 A Q H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 110.2 47.5 -63.8 -42.2 12.8 -0.1 22.5 214 223 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.909 111.3 51.7 -61.8 -44.0 9.2 -1.2 22.4 215 224 A L H X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.893 114.6 41.9 -63.0 -39.7 8.0 2.3 23.2 216 225 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.871 112.5 53.6 -74.9 -39.5 10.0 3.9 20.4 217 226 A R H X S+ 0 0 37 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.894 107.1 52.3 -60.2 -42.3 9.2 1.1 18.0 218 227 A W H X S+ 0 0 2 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.950 110.0 48.3 -57.9 -50.5 5.4 1.7 18.6 219 228 A S H <>S+ 0 0 1 -4,-1.6 5,-1.7 1,-0.2 3,-0.2 0.891 111.3 50.9 -58.7 -42.7 5.8 5.4 17.9 220 229 A I H ><5S+ 0 0 21 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.911 107.0 53.3 -60.0 -44.4 7.8 4.7 14.7 221 230 A Q H 3<5S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.742 99.4 63.2 -69.7 -21.1 5.1 2.3 13.5 222 231 A L T 3<5S- 0 0 36 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.537 124.0-105.2 -71.4 -6.7 2.5 5.0 13.9 223 232 A G T < 5S+ 0 0 46 -3,-2.0 -40,-0.2 1,-0.3 -3,-0.2 0.463 75.8 139.6 93.9 1.2 4.4 7.0 11.2 224 233 A N < - 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0 0 12 -3,-1.2 4,-2.7 1,-0.1 3,-0.4 -0.516 61.2-133.4 -65.2 128.0 5.2 28.9 26.6 458 207 B P H > S+ 0 0 35 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.846 105.5 49.4 -53.9 -38.2 4.2 32.6 25.9 459 208 B A H > S+ 0 0 20 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.897 112.6 47.1 -67.8 -38.6 1.5 32.6 28.6 460 209 B V H > S+ 0 0 0 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.923 112.7 49.3 -65.9 -45.8 4.0 31.1 31.2 461 210 B T H X S+ 0 0 34 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.853 108.9 52.5 -64.6 -36.5 6.7 33.6 30.3 462 211 B A H X S+ 0 0 55 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.912 112.6 44.9 -64.5 -43.2 4.3 36.6 30.6 463 212 B I H X S+ 0 0 11 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.876 111.8 52.1 -70.1 -37.6 3.2 35.5 34.1 464 213 B A H X>S+ 0 0 7 -4,-2.3 5,-2.4 1,-0.2 4,-1.1 0.933 110.4 48.8 -62.1 -46.8 6.8 34.8 35.2 465 214 B E H <5S+ 0 0 158 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.849 107.2 55.6 -62.1 -36.3 7.8 38.3 34.1 466 215 B A H <5S+ 0 0 75 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.850 118.2 34.4 -65.1 -33.8 4.8 39.8 36.0 467 216 B H H <5S- 0 0 52 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.471 106.2-120.9 -97.3 -9.2 6.0 38.1 39.2 468 217 B G T <5S+ 0 0 67 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.893 73.9 124.9 62.3 39.5 9.7 38.4 38.6 469 218 B R < - 0 0 74 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.787 66.4 -93.9-121.7 167.3 9.9 34.5 38.9 470 219 B T > - 0 0 59 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.443 32.5-116.0 -76.6 155.4 11.2 31.7 36.6 471 220 B A H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 118.9 54.3 -54.6 -42.5 8.9 29.9 34.2 472 221 B A H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 106.0 52.7 -60.4 -43.3 9.5 26.7 36.2 473 222 B Q H > S+ 0 0 10 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.907 109.4 48.3 -57.9 -44.3 8.4 28.5 39.4 474 223 B V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.946 110.9 50.9 -60.5 -45.9 5.2 29.6 37.7 475 224 B L H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.913 115.0 43.1 -59.9 -44.7 4.5 26.1 36.4 476 225 B L H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.927 112.0 52.4 -66.6 -45.4 5.0 24.6 39.9 477 226 B R H X S+ 0 0 41 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.885 107.8 53.1 -61.0 -41.1 3.0 27.4 41.6 478 227 B W H X S+ 0 0 1 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.947 109.6 47.5 -56.3 -51.9 0.0 26.8 39.3 479 228 B S H <>S+ 0 0 1 -4,-1.7 5,-1.8 1,-0.2 3,-0.4 0.902 111.5 51.0 -58.2 -44.2 0.0 23.0 40.1 480 229 B I H ><5S+ 0 0 21 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.925 108.1 52.8 -59.1 -44.3 0.2 23.8 43.8 481 230 B Q H 3<5S+ 0 0 63 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.707 99.1 63.4 -69.7 -18.0 -2.7 26.2 43.5 482 231 B L T 3<5S- 0 0 35 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.570 124.5-105.8 -71.7 -11.4 -4.7 23.4 41.8 483 232 B G T < 5S+ 0 0 51 -3,-1.9 -40,-0.3 -4,-0.3 -3,-0.2 0.481 75.6 141.7 96.7 5.7 -4.4 21.6 45.2 484 233 B N < - 0 0 4 -5,-1.8 2,-0.5 -42,-0.1 -1,-0.3 -0.374 57.6-129.6 -76.7 153.0 -1.8 19.1 43.8 485 234 B V E - s 0 444E 0 -42,-2.2 -40,-2.8 -2,-0.1 2,-0.5 -0.914 38.2-149.3 -88.3 131.4 1.3 17.7 45.4 486 235 B V E -ls 276 445E 1 -211,-2.9 -209,-2.1 -2,-0.5 2,-0.5 -0.939 12.3-160.2-119.5 124.9 3.9 18.5 42.7 487 236 B I E -l 277 0E 3 -42,-2.9 2,-0.4 -2,-0.5 -40,-0.4 -0.896 7.1-155.6-104.9 122.0 7.0 16.3 41.9 488 237 B S E -l 278 0E 10 -211,-2.5 -209,-2.8 -2,-0.5 3,-0.1 -0.812 17.0-126.0 -93.4 135.6 9.9 17.9 40.0 489 238 B R E -l 279 0E 85 -2,-0.4 2,-0.2 -211,-0.2 -209,-0.1 -0.335 50.9 -66.4 -63.6 158.6 12.3 15.6 38.1 490 239 B S + 0 0 19 -211,-0.6 -1,-0.1 -209,-0.2 2,-0.1 -0.565 60.8 159.4 -78.8 154.2 16.0 16.0 38.9 491 240 B A - 0 0 51 -2,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.382 39.8 -67.9 150.2-176.4 17.6 18.7 38.2 492 241 B N >> - 0 0 73 1,-0.1 4,-2.9 -2,-0.1 3,-0.6 -0.929 47.4 -99.6-158.2 148.7 20.8 20.5 39.4 493 242 B P H 3> S+ 0 0 95 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.819 122.7 47.3 -38.1 -45.7 21.7 22.1 42.8 494 243 B E H 3> S+ 0 0 73 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.904 116.7 40.7 -65.6 -46.9 21.0 25.6 41.4 495 244 B R H <> S+ 0 0 34 -3,-0.6 4,-3.1 2,-0.2 -1,-0.2 0.833 110.2 59.9 -70.0 -35.4 17.6 24.7 39.8 496 245 B I H X S+ 0 0 3 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.917 108.1 44.2 -57.1 -48.5 16.6 22.5 42.7 497 246 B A H X S+ 0 0 52 -4,-1.7 4,-0.9 -5,-0.3 -1,-0.2 0.896 113.6 52.0 -64.1 -41.6 16.8 25.5 45.1 498 247 B S H >< S+ 0 0 38 -4,-1.5 3,-0.9 1,-0.2 -2,-0.2 0.939 108.4 50.2 -60.5 -49.5 15.0 27.7 42.6 499 248 B N H 3< S+ 0 0 18 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.808 106.2 55.2 -60.3 -34.2 12.1 25.2 42.3 500 249 B L H 3< S+ 0 0 21 -4,-1.6 2,-2.1 1,-0.2 -1,-0.3 0.751 88.7 82.0 -69.9 -25.9 11.6 24.9 46.0 501 250 B D << + 0 0 87 -4,-0.9 -1,-0.2 -3,-0.9 3,-0.1 -0.390 56.5 112.1 -80.0 61.7 11.2 28.8 46.2 502 251 B V + 0 0 0 -2,-2.1 -1,-0.2 1,-0.1 3,-0.1 0.089 53.8 76.4-123.1 21.1 7.5 28.8 45.2 503 252 B F S S+ 0 0 64 -3,-0.2 -1,-0.1 1,-0.1 -2,-0.1 0.311 76.4 74.1-116.0 6.6 5.9 29.9 48.5 504 253 B G S S+ 0 0 55 -3,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.279 101.6 34.4-100.9 6.2 6.8 33.7 48.3 505 254 B F - 0 0 22 -3,-0.1 2,-0.3 2,-0.0 -38,-0.0 -0.977 63.7-151.3-151.8 161.1 4.2 34.5 45.6 506 255 B E - 0 0 56 -2,-0.3 2,-0.3 -3,-0.0 -28,-0.1 -0.967 22.2-120.6-131.9 149.1 0.7 33.5 44.4 507 256 B L - 0 0 9 -2,-0.3 2,-0.0 -30,-0.1 -2,-0.0 -0.682 33.5-117.5 -84.9 143.2 -0.8 33.5 41.0 508 257 B T > - 0 0 72 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.261 26.5-104.4 -74.5 165.9 -4.0 35.6 40.5 509 258 B A H > S+ 0 0 86 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.922 124.7 49.2 -55.2 -45.5 -7.4 34.2 39.6 510 259 B D H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.877 109.9 50.3 -62.8 -40.1 -6.8 35.6 36.0 511 260 B E H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 111.5 49.1 -64.2 -40.8 -3.4 34.1 35.8 512 261 B M H X S+ 0 0 20 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.909 109.8 51.7 -62.6 -43.4 -4.9 30.8 36.9 513 262 B E H X S+ 0 0 134 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.909 109.2 50.5 -60.9 -43.6 -7.6 31.1 34.3 514 263 B T H >< S+ 0 0 53 -4,-2.3 3,-0.7 2,-0.2 4,-0.2 0.940 114.4 41.8 -57.6 -51.7 -5.0 31.7 31.6 515 264 B L H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 4,-0.2 0.859 111.9 57.0 -67.2 -36.4 -2.9 28.7 32.5 516 265 B N H 3< S+ 0 0 58 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.672 101.4 58.5 -62.1 -22.7 -6.1 26.7 33.0 517 266 B G T << S+ 0 0 61 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.454 81.2 83.9 -90.9 0.5 -7.1 27.5 29.4 518 267 B L < 0 0 45 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.1 0.731 360.0 360.0 -77.3 -20.2 -4.0 26.0 27.7 519 268 B D 0 0 99 -3,-0.5 -92,-0.1 -4,-0.2 -1,-0.1 -0.944 360.0 360.0-110.3 360.0 -5.6 22.5 27.8