==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-OCT-12 4HP8 . COMPND 2 MOLECULE: 2-DEOXY-D-GLUCONATE 3-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR M.W.VETTING,J.T.BOUVIER,F.GRONINGER-POE,L.L.MORISCO,S.R.WASS . 491 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20409.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 41 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.4 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 2 0 0 0 1 3 1 3 2 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 2 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A N > 0 0 127 0, 0.0 3,-1.8 0, 0.0 226,-0.1 0.000 360.0 360.0 360.0 108.2 27.9 -16.7 10.1 2 4 A P T 3 + 0 0 72 0, 0.0 225,-1.5 0, 0.0 224,-0.4 0.674 360.0 55.8 -70.1 -10.6 26.2 -14.6 7.5 3 5 A F T 3 S+ 0 0 12 223,-0.2 2,-0.2 222,-0.1 221,-0.1 0.369 81.8 115.2 -98.1 1.8 26.0 -11.6 9.9 4 6 A S < - 0 0 41 -3,-1.8 222,-0.4 1,-0.1 27,-0.2 -0.487 46.7-166.6 -73.6 142.0 29.8 -11.6 10.7 5 7 A L > + 0 0 2 25,-3.0 3,-2.3 -2,-0.2 28,-0.3 0.148 35.4 145.6-110.6 18.8 31.8 -8.6 9.7 6 8 A E T 3 S+ 0 0 156 24,-0.5 26,-0.2 1,-0.3 3,-0.1 -0.335 70.2 22.9 -55.5 132.9 35.2 -10.2 10.3 7 9 A G T 3 S+ 0 0 80 24,-0.6 -1,-0.3 1,-0.4 2,-0.2 0.181 100.0 111.3 92.9 -16.3 37.7 -8.9 7.7 8 10 A R < - 0 0 53 -3,-2.3 25,-2.5 23,-0.1 2,-0.4 -0.562 53.9-151.4 -87.6 157.3 35.8 -5.7 7.1 9 11 A K E -a 33 0A 48 23,-0.2 70,-2.8 68,-0.2 71,-1.7 -0.985 16.6-162.9-132.4 119.9 37.0 -2.2 8.1 10 12 A A E -ab 34 80A 0 23,-3.1 25,-3.2 -2,-0.4 2,-0.5 -0.805 18.0-155.8-109.5 143.4 34.4 0.5 8.9 11 13 A L E -ab 35 81A 0 69,-2.5 71,-3.0 -2,-0.3 2,-0.5 -0.983 17.2-171.4-107.6 123.0 34.5 4.2 9.2 12 14 A V E > -ab 36 82A 0 23,-2.4 25,-2.6 -2,-0.5 3,-0.5 -0.961 10.0-150.8-114.9 116.1 31.6 5.5 11.5 13 15 A T T 3 S+ 0 0 4 69,-2.4 25,-0.2 -2,-0.5 71,-0.1 -0.514 80.5 26.3 -86.1 156.7 31.1 9.2 11.6 14 16 A G T > S+ 0 0 16 23,-0.3 3,-0.7 -2,-0.2 6,-0.4 0.885 80.7 151.0 61.1 40.5 29.6 10.9 14.7 15 17 A A T < + 0 0 0 22,-2.8 23,-0.2 -3,-0.5 -1,-0.1 0.483 43.9 79.2 -90.6 -3.1 31.1 8.0 16.6 16 18 A N T 3 S- 0 0 26 21,-0.3 2,-0.3 24,-0.1 29,-0.2 0.682 105.1 -3.5 -76.7 -18.1 31.7 9.7 20.0 17 19 A T S X> S+ 0 0 48 -3,-0.7 4,-1.8 27,-0.1 3,-0.6 -0.937 104.3 13.6-157.9 172.1 28.1 9.5 21.2 18 20 A G H 3> S- 0 0 11 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.044 118.5 -9.1 61.6-142.5 24.5 8.6 20.4 19 21 A L H 3> S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.885 134.4 55.7 -63.3 -39.5 23.7 6.5 17.5 20 22 A G H <> S+ 0 0 0 -3,-0.6 4,-2.8 -6,-0.4 -5,-0.2 0.902 107.8 49.2 -63.6 -40.7 27.2 6.6 16.0 21 23 A Q H X S+ 0 0 32 -4,-1.8 4,-2.6 -7,-0.4 -1,-0.2 0.939 112.5 47.1 -60.0 -50.1 28.7 5.3 19.2 22 24 A A H X S+ 0 0 13 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.895 113.7 48.6 -60.9 -38.8 26.2 2.4 19.4 23 25 A I H X S+ 0 0 1 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.948 110.6 49.8 -65.5 -45.6 26.8 1.5 15.8 24 26 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.932 112.7 47.9 -57.9 -45.0 30.5 1.6 16.2 25 27 A V H X S+ 0 0 29 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.919 113.5 48.0 -60.9 -44.4 30.2 -0.7 19.2 26 28 A G H X S+ 0 0 16 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.907 111.4 48.9 -66.2 -42.1 27.9 -3.1 17.3 27 29 A L H <>S+ 0 0 0 -4,-3.1 5,-2.3 1,-0.2 -1,-0.2 0.902 112.0 49.1 -63.6 -42.0 30.1 -3.3 14.2 28 30 A A H ><5S+ 0 0 8 -4,-2.2 3,-1.5 -5,-0.3 -1,-0.2 0.893 108.8 52.8 -65.5 -40.3 33.1 -4.0 16.3 29 31 A A H 3<5S+ 0 0 77 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.815 104.9 56.6 -62.9 -31.4 31.3 -6.7 18.3 30 32 A A T 3<5S- 0 0 24 -4,-1.6 -25,-3.0 -5,-0.2 -24,-0.5 0.473 130.3 -96.3 -78.1 -3.4 30.3 -8.3 14.9 31 33 A G T < 5S+ 0 0 33 -3,-1.5 -24,-0.6 1,-0.3 -3,-0.2 0.350 78.3 134.8 111.5 -5.7 34.0 -8.5 14.1 32 34 A A < - 0 0 1 -5,-2.3 23,-0.5 -26,-0.2 2,-0.4 -0.468 59.3-120.5 -73.1 149.5 34.8 -5.3 12.0 33 35 A E E -a 9 0A 61 -25,-2.5 -23,-3.1 -28,-0.3 2,-0.5 -0.740 40.2-154.7 -75.2 132.4 37.8 -3.2 12.6 34 36 A V E -ac 10 56A 0 21,-2.4 23,-1.7 -2,-0.4 2,-0.6 -0.959 19.6-162.0-123.3 123.4 36.1 0.2 13.4 35 37 A V E -ac 11 57A 8 -25,-3.2 -23,-2.4 -2,-0.5 2,-0.9 -0.902 19.6-145.9 -96.6 120.9 37.6 3.7 13.0 36 38 A C E -ac 12 58A 0 21,-3.3 23,-2.2 -2,-0.6 2,-0.4 -0.800 14.6-161.4 -96.1 102.5 35.5 6.0 15.1 37 39 A A E + c 0 59A 0 -25,-2.6 -22,-2.8 -2,-0.9 -23,-0.3 -0.719 26.2 140.1 -89.2 136.2 35.3 9.4 13.3 38 40 A A E - c 0 60A 4 21,-2.1 23,-2.2 -2,-0.4 3,-0.0 -0.977 59.4-116.8-164.6 162.1 34.3 12.4 15.3 39 41 A R S S+ 0 0 167 -2,-0.3 2,-0.3 21,-0.2 21,-0.1 0.525 105.6 37.6 -89.7 -7.0 35.2 16.1 15.8 40 42 A R S S- 0 0 151 21,-0.1 -24,-0.1 -3,-0.0 21,-0.1 -0.973 111.4 -75.6-136.3 159.4 36.3 15.4 19.3 41 43 A A - 0 0 53 -2,-0.3 2,-1.9 1,-0.2 3,-0.3 -0.206 36.4-138.2 -60.5 133.2 38.1 12.4 20.7 42 44 A P > + 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.361 44.6 154.1 -89.1 59.7 35.8 9.4 21.0 43 45 A D H > + 0 0 111 -2,-1.9 4,-2.4 1,-0.2 5,-0.2 0.929 69.0 43.8 -56.2 -53.9 37.2 8.4 24.4 44 46 A E H > S+ 0 0 115 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.915 112.7 52.1 -61.9 -43.9 34.2 6.6 25.8 45 47 A T H > S+ 0 0 0 -29,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.938 111.3 47.0 -59.8 -44.5 33.4 4.8 22.5 46 48 A L H X S+ 0 0 46 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.888 110.6 53.1 -64.2 -38.4 37.0 3.4 22.3 47 49 A D H X S+ 0 0 113 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.934 109.4 48.7 -61.1 -45.0 36.9 2.4 26.0 48 50 A I H X S+ 0 0 54 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.949 113.3 45.8 -61.2 -46.8 33.7 0.4 25.4 49 51 A I H <>S+ 0 0 1 -4,-2.4 5,-2.5 1,-0.2 4,-0.3 0.919 111.8 52.2 -64.1 -40.7 35.1 -1.4 22.3 50 52 A A H ><5S+ 0 0 68 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.923 108.8 50.0 -60.3 -44.2 38.3 -2.1 24.1 51 53 A K H 3<5S+ 0 0 184 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.832 109.2 53.2 -62.8 -33.1 36.5 -3.6 27.1 52 54 A D T 3<5S- 0 0 92 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.445 118.6-112.4 -80.3 -4.5 34.5 -5.8 24.6 53 55 A G T < 5S+ 0 0 70 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.633 70.0 140.1 82.9 12.0 37.7 -7.1 23.1 54 56 A G < - 0 0 28 -5,-2.5 2,-0.6 -6,-0.2 -1,-0.2 -0.265 55.0-112.9 -86.8 176.3 37.1 -5.3 19.7 55 57 A N + 0 0 96 -23,-0.5 -21,-2.4 -27,-0.2 2,-0.3 -0.928 50.5 142.6-115.7 109.3 39.5 -3.5 17.4 56 58 A A E +c 34 0A 28 -2,-0.6 2,-0.3 -23,-0.2 -21,-0.2 -0.957 20.4 176.2-145.2 163.4 39.0 0.2 17.0 57 59 A S E -c 35 0A 51 -23,-1.7 -21,-3.3 -2,-0.3 2,-0.3 -0.892 29.1-101.9-154.3 179.4 40.8 3.5 16.6 58 60 A A E -c 36 0A 47 -2,-0.3 2,-0.4 -23,-0.2 -21,-0.2 -0.759 16.9-169.0-113.0 153.0 39.9 7.2 16.1 59 61 A L E -c 37 0A 55 -23,-2.2 -21,-2.1 -2,-0.3 2,-0.6 -0.944 17.2-146.3-137.0 123.3 39.8 9.7 13.3 60 62 A L E +c 38 0A 114 -2,-0.4 2,-0.3 -23,-0.2 -21,-0.2 -0.762 34.7 152.7 -89.7 121.7 39.3 13.4 14.0 61 63 A I - 0 0 16 -23,-2.2 2,-0.5 -2,-0.6 -21,-0.1 -0.990 31.9-153.3-152.8 140.9 37.4 15.1 11.3 62 64 A D > - 0 0 80 -2,-0.3 3,-1.4 -23,-0.1 6,-0.1 -0.941 1.3-163.2-124.7 110.6 35.1 18.1 11.2 63 65 A F T 3 S+ 0 0 18 -2,-0.5 48,-0.1 1,-0.3 -1,-0.1 0.355 71.9 98.5 -80.7 5.8 32.4 18.1 8.5 64 66 A A T 3 S+ 0 0 63 1,-0.2 -1,-0.3 2,-0.1 43,-0.0 0.835 88.0 55.7 -54.6 -29.7 31.8 21.8 8.8 65 67 A D S X S- 0 0 87 -3,-1.4 3,-2.2 1,-0.1 -1,-0.2 -0.928 90.1-157.7 -91.9 108.1 34.1 21.5 5.8 66 68 A P T 3 S+ 0 0 13 0, 0.0 3,-0.3 0, 0.0 49,-0.2 0.669 89.6 53.6 -68.9 -14.0 31.9 19.1 3.8 67 69 A L T > S+ 0 0 84 1,-0.2 3,-2.1 47,-0.1 4,-0.2 0.197 72.8 117.6 -96.8 16.2 35.0 18.0 1.8 68 70 A A T < S+ 0 0 32 -3,-2.2 3,-0.4 1,-0.3 -1,-0.2 0.725 72.7 50.6 -60.8 -24.6 36.9 17.1 5.0 69 71 A A T > S+ 0 0 1 -3,-0.3 3,-1.6 1,-0.2 4,-0.4 0.254 72.0 114.8 -95.9 14.2 37.1 13.4 4.1 70 72 A K T < S+ 0 0 102 -3,-2.1 3,-0.2 1,-0.3 -1,-0.2 0.821 89.4 28.8 -56.7 -33.2 38.5 13.8 0.6 71 73 A D T 3 S+ 0 0 132 -3,-0.4 -1,-0.3 -4,-0.2 3,-0.1 0.272 95.5 95.6-108.4 11.1 41.8 12.2 1.5 72 74 A S S < S+ 0 0 29 -3,-1.6 -1,-0.1 1,-0.2 -2,-0.1 0.656 85.8 43.8 -77.1 -17.8 40.6 9.9 4.3 73 75 A F S >> S+ 0 0 4 -4,-0.4 3,-2.3 -3,-0.2 4,-0.5 0.662 74.0 118.7-104.6 -20.5 40.1 6.8 2.1 74 76 A T T 34 S- 0 0 83 1,-0.3 45,-0.0 2,-0.2 -3,-0.0 -0.306 102.0 -18.6 -57.8 118.5 43.2 6.6 -0.1 75 77 A D T 34 S+ 0 0 125 1,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.618 107.3 117.5 57.8 21.1 45.0 3.3 0.7 76 78 A A T <4 S- 0 0 27 -3,-2.3 -2,-0.2 2,-0.1 -1,-0.1 0.618 72.2-132.4 -93.8 -15.2 43.2 3.2 4.0 77 79 A G < + 0 0 49 -4,-0.5 2,-0.3 1,-0.2 -68,-0.2 0.669 44.1 159.0 77.2 16.2 41.3 -0.1 3.4 78 80 A F + 0 0 15 -5,-0.3 -1,-0.2 1,-0.1 -68,-0.2 -0.565 12.5 163.0 -72.6 136.7 37.8 1.0 4.4 79 81 A D + 0 0 29 -70,-2.8 52,-2.0 -2,-0.3 2,-0.4 0.353 62.7 57.8-137.4 11.1 34.9 -1.0 3.0 80 82 A I E -bd 10 131A 0 -71,-1.7 -69,-2.5 50,-0.2 2,-0.4 -0.995 60.6-175.8-131.2 132.2 32.1 -0.0 5.3 81 83 A L E -bd 11 132A 0 50,-2.4 52,-3.0 -2,-0.4 2,-0.6 -0.992 6.7-169.1-124.5 124.2 31.0 3.6 5.7 82 84 A V E -bd 12 133A 0 -71,-3.0 -69,-2.4 -2,-0.4 2,-1.3 -0.942 9.3-157.7-110.2 112.5 28.3 4.6 8.1 83 85 A N E + d 0 134A 6 50,-2.0 52,-2.3 -2,-0.6 -71,-0.1 -0.711 41.7 135.9 -92.4 88.8 27.3 8.3 7.5 84 86 A N + 0 0 23 -2,-1.3 -1,-0.2 50,-0.2 -70,-0.1 0.669 25.6 111.8-108.8 -28.0 25.9 9.1 10.9 85 87 A A + 0 0 26 -3,-0.3 2,-0.3 -65,-0.1 50,-0.1 -0.256 43.8 143.3 -53.0 137.0 27.3 12.6 11.7 86 88 A G - 0 0 35 2,-0.0 2,-0.3 -72,-0.0 18,-0.1 -0.965 31.9-156.4-171.7 154.4 24.4 15.2 11.6 87 89 A I - 0 0 31 -2,-0.3 2,-0.3 17,-0.2 21,-0.1 -0.860 8.1-149.7-133.2 168.9 23.0 18.3 13.3 88 90 A I - 0 0 30 -2,-0.3 2,-0.4 2,-0.0 59,-0.1 -0.992 3.0-162.8-141.1 146.4 19.6 20.0 13.6 89 91 A R - 0 0 67 -2,-0.3 2,-0.5 11,-0.1 61,-0.3 -0.997 11.2-157.1-131.4 129.3 18.5 23.6 14.0 90 92 A R + 0 0 71 -2,-0.4 2,-0.3 57,-0.1 57,-0.2 -0.918 33.1 124.3-114.0 122.0 15.0 24.4 15.3 91 93 A A - 0 0 19 55,-2.4 5,-0.1 -2,-0.5 -2,-0.1 -0.957 67.5 -76.7-162.2 157.4 13.2 27.7 14.5 92 94 A D >> - 0 0 73 -2,-0.3 3,-1.5 1,-0.2 4,-0.7 -0.361 44.0-127.6 -57.8 137.6 9.9 28.8 13.0 93 95 A S G >4 S+ 0 0 74 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.839 105.0 63.6 -63.1 -30.5 10.3 28.4 9.2 94 96 A V G 34 S+ 0 0 142 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.779 115.8 30.6 -67.1 -20.4 9.1 32.0 8.6 95 97 A E G <4 S+ 0 0 136 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.337 85.2 139.5-116.9 11.1 12.2 33.3 10.4 96 98 A F << - 0 0 34 -3,-0.8 2,-0.1 -4,-0.7 -3,-0.1 -0.239 47.6-128.2 -59.7 131.9 14.7 30.5 9.7 97 99 A S > - 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0 0 165 -5,-2.3 -1,-0.2 -6,-0.2 2,-0.2 -0.680 51.5-119.7-109.5 158.2 36.7 -4.1 -4.2 129 131 A S + 0 0 54 -2,-0.2 2,-0.3 44,-0.1 44,-0.2 -0.501 38.1 159.3 -83.4 164.5 33.2 -4.5 -2.7 130 132 A G E - e 0 173A 0 42,-2.3 44,-2.2 -2,-0.2 2,-0.4 -0.972 29.7-116.9-171.7-176.4 31.8 -2.4 0.2 131 133 A K E -de 80 174A 1 -52,-2.0 -50,-2.4 -2,-0.3 2,-0.4 -0.995 10.5-164.8-136.8 138.3 28.9 -1.1 2.1 132 134 A V E -de 81 175A 0 42,-3.1 44,-2.3 -2,-0.4 2,-0.5 -0.994 5.1-173.2-121.5 132.4 27.4 2.3 2.8 133 135 A V E -de 82 176A 0 -52,-3.0 -50,-2.0 -2,-0.4 2,-0.3 -0.969 9.1-164.7-123.5 112.1 24.8 2.8 5.6 134 136 A N E -de 83 177A 0 42,-2.8 44,-2.5 -2,-0.5 2,-0.9 -0.768 18.8-130.5 -93.4 142.6 23.3 6.3 5.7 135 137 A I E + e 0 178A 7 -52,-2.3 44,-0.2 -2,-0.3 22,-0.1 -0.821 36.6 169.1 -96.4 109.2 21.4 7.5 8.7 136 138 A A - 0 0 2 42,-3.0 2,-0.3 -2,-0.9 43,-0.1 0.222 19.5-137.2 -90.7-142.9 18.1 8.9 7.5 137 139 A S > - 0 0 12 42,-0.2 3,-2.0 17,-0.2 4,-0.2 -0.981 32.5 -95.4-170.2 161.7 15.2 9.9 9.8 138 140 A L G >> S+ 0 0 2 42,-0.9 4,-2.5 -2,-0.3 3,-2.1 0.815 123.4 68.9 -56.1 -28.6 11.4 9.8 10.1 139 141 A L G 34 S+ 0 0 9 1,-0.3 16,-0.4 2,-0.2 -1,-0.3 0.227 82.0 70.6 -82.5 15.5 11.8 13.2 8.6 140 142 A S G <4 S+ 0 0 12 -3,-2.0 -1,-0.3 14,-0.2 -2,-0.2 0.453 115.0 25.8 -86.2 -13.5 12.9 11.5 5.4 141 143 A F T <4 S+ 0 0 94 -3,-2.1 2,-0.2 1,-0.2 -2,-0.2 0.684 127.9 34.7-117.9 -44.3 9.2 10.4 5.1 142 144 A Q S < S- 0 0 64 -4,-2.5 -1,-0.2 1,-0.1 13,-0.0 -0.670 75.2-124.3-110.9 171.4 7.2 13.1 7.0 143 145 A G - 0 0 44 -2,-0.2 4,-0.2 1,-0.1 8,-0.1 0.808 31.1-170.5 -86.0 -37.5 7.7 16.8 7.4 144 146 A G - 0 0 41 -6,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.196 31.1 -87.1 62.4-167.4 7.9 17.5 11.1 145 147 A I S S+ 0 0 97 1,-0.1 -53,-0.1 2,-0.0 -1,-0.0 -0.983 89.8 9.6-138.8 146.0 7.9 21.1 12.1 146 148 A R S S+ 0 0 103 -2,-0.3 -55,-2.4 1,-0.1 3,-0.1 0.508 101.0 88.9 71.2 11.5 10.5 24.0 12.7 147 149 A V > + 0 0 6 -4,-0.2 4,-2.7 -57,-0.2 3,-0.4 -0.347 41.9 154.6-132.8 53.9 13.4 22.0 11.1 148 150 A P H > S+ 0 0 37 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.887 76.3 45.5 -57.6 -42.0 13.2 22.9 7.4 149 151 A S H > S+ 0 0 0 -60,-0.2 4,-2.4 2,-0.2 5,-0.1 0.874 114.2 50.0 -69.4 -31.9 16.9 22.3 6.6 150 152 A Y H > S+ 0 0 22 -3,-0.4 4,-3.1 -61,-0.3 5,-0.2 0.949 113.0 44.2 -69.8 -47.3 16.9 19.0 8.6 151 153 A T H X S+ 0 0 19 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.927 115.8 48.2 -62.3 -43.7 13.8 17.6 6.9 152 154 A A H X S+ 0 0 41 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.938 114.4 47.1 -61.1 -44.6 15.1 18.7 3.4 153 155 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.931 113.0 47.2 -62.8 -46.1 18.5 17.2 4.2 154 156 A K H X S+ 0 0 9 -4,-3.1 4,-1.7 2,-0.2 -14,-0.2 0.860 111.5 50.1 -72.0 -32.8 17.1 13.9 5.5 155 157 A H H X S+ 0 0 86 -4,-2.6 4,-2.2 -16,-0.4 -1,-0.2 0.943 110.7 52.4 -60.4 -45.8 14.8 13.6 2.5 156 158 A G H X S+ 0 0 23 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.866 104.4 55.7 -56.8 -37.1 17.9 14.3 0.4 157 159 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.908 106.7 49.7 -64.3 -42.0 19.8 11.5 2.2 158 160 A A H X S+ 0 0 7 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.916 110.9 51.1 -59.4 -41.7 17.0 9.1 1.2 159 161 A G H X S+ 0 0 35 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.931 110.6 47.2 -61.5 -48.0 17.3 10.3 -2.4 160 162 A L H X S+ 0 0 34 -4,-2.8 4,-2.9 1,-0.2 5,-0.4 0.877 106.9 57.9 -62.3 -35.3 21.1 9.8 -2.5 161 163 A T H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.939 111.9 41.9 -60.8 -43.5 20.7 6.3 -1.0 162 164 A K H X S+ 0 0 91 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.941 117.0 46.0 -67.8 -49.1 18.5 5.4 -3.9 163 165 A L H X S+ 0 0 81 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.907 112.5 48.8 -64.1 -44.0 20.5 7.1 -6.6 164 166 A L H X S+ 0 0 4 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.895 111.3 50.7 -69.1 -34.9 23.9 5.8 -5.4 165 167 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.4 5,-0.3 0.938 107.7 54.4 -60.3 -43.5 22.5 2.3 -5.2 166 168 A N H < S+ 0 0 39 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.917 117.5 36.1 -56.9 -40.8 21.1 2.7 -8.8 167 169 A E H < S+ 0 0 111 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.807 129.2 29.3 -83.2 -30.6 24.7 3.6 -10.0 168 170 A W H ><>S+ 0 0 24 -4,-2.6 5,-1.8 -5,-0.2 3,-1.7 0.540 86.9 92.5-113.6 -9.8 26.8 1.3 -7.8 169 171 A A G ><5S+ 0 0 6 -4,-2.6 3,-1.6 1,-0.3 285,-0.2 0.902 92.8 48.6 -53.8 -41.9 24.8 -1.8 -7.0 170 172 A A G 3 5S+ 0 0 73 283,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.581 105.4 59.6 -75.4 -10.4 26.3 -3.6 -10.0 171 173 A K G < 5S- 0 0 119 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.280 122.7-103.7 -97.6 7.3 29.8 -2.5 -9.0 172 174 A G T < 5S+ 0 0 27 -3,-1.6 -42,-2.3 1,-0.2 2,-0.6 0.633 82.5 123.1 82.2 17.5 29.5 -4.3 -5.6 173 175 A I E < -e 130 0A 0 -5,-1.8 2,-0.5 -44,-0.2 -42,-0.2 -0.949 48.5-153.6-110.3 111.2 28.8 -1.3 -3.3 174 176 A N E -e 131 0A 8 -44,-2.2 -42,-3.1 -2,-0.6 2,-0.5 -0.793 10.3-168.1 -79.8 124.7 25.5 -1.7 -1.4 175 177 A V E +e 132 0A 0 -2,-0.5 58,-2.9 -44,-0.2 2,-0.3 -0.971 21.8 146.2-116.9 119.6 24.1 1.6 -0.4 176 178 A N E -e 133 0A 0 -44,-2.3 -42,-2.8 -2,-0.5 2,-0.3 -0.849 30.3-137.6-141.5 172.1 21.2 1.6 2.1 177 179 A A E -ef 134 235A 0 57,-2.7 59,-2.9 -2,-0.3 2,-0.5 -0.978 4.9-144.9-135.8 152.7 19.8 3.7 4.9 178 180 A I E -ef 135 236A 0 -44,-2.5 -42,-3.0 -2,-0.3 59,-0.2 -0.970 11.0-158.6-108.1 133.4 18.4 3.3 8.4 179 181 A A E - f 0 237A 0 57,-2.7 59,-2.4 -2,-0.5 -42,-0.2 -0.882 16.4-157.1-107.9 96.2 15.6 5.7 9.4 180 182 A P E - f 0 238A 8 0, 0.0 -42,-0.9 0, 0.0 59,-0.3 -0.418 6.5-138.3 -66.7 152.3 15.6 5.7 13.2 181 183 A G - 0 0 13 57,-2.1 2,-0.8 1,-0.2 -43,-0.2 0.303 61.5 -37.7 -78.0-142.0 12.5 6.8 15.0 182 184 A Y S S- 0 0 27 57,-0.3 29,-2.9 27,-0.1 2,-0.4 -0.774 72.9-179.6 -91.9 112.8 12.6 9.0 18.1 183 185 A I B -g 211 0B 6 -2,-0.8 2,-0.9 27,-0.2 5,-0.2 -0.918 34.5-111.0-117.1 138.1 15.7 7.9 20.0 184 186 A E + 0 0 113 27,-2.7 29,-0.4 -2,-0.4 2,-0.3 -0.622 69.8 114.0 -74.3 104.4 16.9 9.3 23.3 185 187 A T S >> S- 0 0 22 -2,-0.9 3,-1.1 27,-0.1 4,-0.5 -0.903 84.4 -79.1-152.0 178.8 20.2 11.2 22.4 186 188 A N G >4 S+ 0 0 101 -2,-0.3 3,-1.0 1,-0.2 4,-0.4 0.852 122.4 66.9 -56.9 -31.9 21.6 14.7 22.3 187 189 A N G 34 S+ 0 0 54 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.836 111.1 32.6 -57.7 -33.5 19.7 15.3 19.0 188 190 A T G X> S+ 0 0 5 -3,-1.1 4,-2.3 -5,-0.2 3,-0.8 0.339 84.5 107.9-111.1 7.4 16.3 15.0 20.7 189 191 A E H S- 0 0 81 -3,-1.0 4,-3.1 -4,-0.3 5,-0.2 -0.867 72.8-156.9 -98.3 105.9 9.4 19.9 26.5 195 197 A A H > S+ 0 0 81 -2,-0.8 4,-2.1 1,-0.2 5,-0.2 0.879 89.0 46.2 -58.4 -39.4 6.7 18.0 28.4 196 198 A A H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.940 116.0 43.5 -68.4 -45.9 4.0 18.5 25.8 197 199 A R H > S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.904 112.2 54.9 -67.9 -38.4 6.1 17.7 22.8 198 200 A N H X S+ 0 0 46 -4,-3.1 4,-2.9 -7,-0.4 -1,-0.2 0.916 109.8 46.4 -58.6 -45.8 7.5 14.7 24.6 199 201 A K H X S+ 0 0 124 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.903 110.2 53.1 -63.7 -41.1 4.0 13.3 25.3 200 202 A A H < S+ 0 0 57 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.883 112.8 45.2 -66.2 -36.6 3.0 13.9 21.7 201 203 A I H >< S+ 0 0 2 -4,-2.3 3,-1.6 -5,-0.2 4,-0.3 0.968 112.1 50.2 -67.8 -53.1 6.0 12.0 20.5 202 204 A L H >< S+ 0 0 59 -4,-2.9 3,-1.8 1,-0.3 6,-0.3 0.898 106.2 54.2 -53.4 -44.0 5.6 9.1 22.9 203 205 A E T 3< S+ 0 0 122 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.665 103.0 58.4 -73.3 -9.6 1.9 8.5 22.2 204 206 A R T < S+ 0 0 101 -3,-1.6 -1,-0.3 -4,-0.5 41,-0.2 0.333 87.8 88.0 -94.7 4.3 2.7 8.2 18.4 205 207 A I X - 0 0 2 -3,-1.8 3,-2.2 -4,-0.3 36,-0.2 -0.887 63.5-159.9-104.4 106.3 5.1 5.2 19.1 206 208 A P T 3 S+ 0 0 4 0, 0.0 211,-0.4 0, 0.0 35,-0.2 0.847 90.4 62.1 -56.2 -35.4 3.3 1.9 19.1 207 209 A A T 3 S- 0 0 20 33,-2.5 34,-0.1 209,-0.2 33,-0.1 0.691 107.2-129.1 -65.5 -18.6 6.1 0.1 21.0 208 210 A G S < S+ 0 0 48 -3,-2.2 2,-0.3 -6,-0.3 -1,-0.1 0.613 72.4 77.7 85.0 14.1 5.4 2.6 23.9 209 211 A R S S- 0 0 98 31,-0.1 -1,-0.2 -7,-0.1 -2,-0.1 -0.992 80.3-106.9-148.7 148.5 8.9 3.8 24.4 210 212 A W - 0 0 28 -2,-0.3 -27,-0.2 1,-0.1 30,-0.0 -0.354 51.5-105.3 -54.8 145.8 11.5 6.1 23.0 211 213 A G B -g 183 0B 2 -29,-2.9 -27,-2.7 -2,-0.1 2,-0.3 -0.328 24.4-135.9 -69.5 164.9 14.3 4.2 21.3 212 214 A H > - 0 0 95 -29,-0.2 3,-2.1 -3,-0.1 4,-0.3 -0.896 25.9-112.9-114.5 151.2 17.7 3.7 22.7 213 215 A S T >> S+ 0 0 14 -29,-0.4 3,-2.0 -2,-0.3 4,-0.6 0.859 116.3 63.9 -52.1 -35.9 20.8 4.1 20.6 214 216 A E H >> S+ 0 0 144 1,-0.3 3,-0.7 2,-0.2 4,-0.6 0.766 88.0 70.9 -62.5 -21.6 21.5 0.3 20.9 215 217 A D H <4 S+ 0 0 29 -3,-2.1 262,-0.3 1,-0.2 4,-0.3 0.631 97.2 51.0 -66.2 -14.7 18.2 -0.3 19.0 216 218 A I H <> S+ 0 0 0 -3,-2.0 4,-1.5 -4,-0.3 -1,-0.2 0.636 91.2 77.5 -97.3 -20.3 19.9 1.0 15.8 217 219 A A H S+ 0 0 1 -4,-0.3 4,-2.7 255,-0.3 -1,-0.2 0.865 110.1 52.4 -63.3 -34.3 20.2 -2.9 11.5 220 222 A A H X S+ 0 0 0 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.906 111.1 46.1 -70.4 -40.9 23.6 -1.4 10.8 221 223 A V H >< S+ 0 0 6 -4,-2.4 3,-0.6 2,-0.2 4,-0.5 0.952 114.3 49.7 -60.0 -50.9 25.4 -4.8 11.3 222 224 A F H >< S+ 0 0 0 -4,-3.0 3,-1.8 1,-0.2 6,-0.3 0.936 111.1 46.5 -53.3 -54.3 22.8 -6.4 9.1 223 225 A L H 3< S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.679 112.9 51.6 -68.0 -16.4 23.0 -3.9 6.3 224 226 A S T << S+ 0 0 1 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.442 102.4 82.6 -90.4 -2.0 26.9 -4.1 6.4 225 227 A S S X S- 0 0 2 -3,-1.8 3,-1.9 -4,-0.5 -222,-0.1 -0.523 90.0-108.6-108.0 168.8 26.9 -7.9 6.2 226 228 A A G > S+ 0 0 55 -222,-0.4 3,-1.8 -224,-0.4 4,-0.2 0.764 112.5 72.9 -64.2 -22.4 26.6 -10.7 3.6 227 229 A A G 3 S+ 0 0 9 -225,-1.5 -1,-0.3 1,-0.3 3,-0.1 0.613 102.9 42.2 -68.5 -9.2 23.1 -11.4 4.8 228 230 A A G X S+ 0 0 1 -3,-1.9 3,-1.9 -6,-0.3 -1,-0.3 0.025 74.0 122.5-118.5 18.0 22.1 -8.1 3.1 229 231 A D T < S+ 0 0 66 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.754 79.7 46.2 -58.0 -22.9 24.1 -8.5 -0.2 230 232 A Y T 3 S+ 0 0 0 -4,-0.2 257,-2.7 -3,-0.1 2,-0.7 0.404 89.0 101.7 -98.5 5.7 20.8 -8.2 -2.2 231 233 A V < + 0 0 1 -3,-1.9 2,-0.4 254,-0.2 254,-0.1 -0.794 47.6 159.9 -89.5 119.2 19.6 -5.2 -0.2 232 234 A H + 0 0 7 -2,-0.7 256,-0.4 252,-0.2 259,-0.3 -0.989 58.9 1.7-143.4 128.2 20.2 -2.0 -2.3 233 235 A G S S+ 0 0 5 -58,-2.9 2,-0.2 -2,-0.4 -57,-0.2 0.621 87.4 147.3 76.4 13.6 18.7 1.4 -2.1 234 236 A A - 0 0 2 -59,-0.2 -57,-2.7 -73,-0.1 2,-0.6 -0.562 40.9-153.3 -86.4 150.3 16.5 0.5 0.9 235 237 A I E -f 177 0A 27 -2,-0.2 2,-0.7 -59,-0.2 -57,-0.2 -0.929 16.9-163.7-118.7 101.8 15.4 2.8 3.6 236 238 A L E -f 178 0A 3 -59,-2.9 -57,-2.7 -2,-0.6 2,-0.4 -0.794 7.8-146.9 -93.4 114.5 14.8 0.7 6.7 237 239 A N E -f 179 0A 14 -2,-0.7 2,-0.5 -59,-0.2 242,-0.2 -0.654 14.7-175.5 -81.7 129.7 12.8 2.4 9.4 238 240 A V E +f 180 0A 0 -59,-2.4 -57,-2.1 -2,-0.4 240,-0.2 -0.855 38.7 130.7-121.8 84.5 13.7 1.3 13.0 239 241 A D S > S- 0 0 0 -2,-0.5 3,-1.8 -59,-0.3 -57,-0.3 0.205 76.0-106.5-139.4 15.2 11.0 3.3 14.7 240 242 A G T 3 S- 0 0 0 237,-2.7 -33,-2.5 1,-0.3 -32,-0.2 0.635 87.3 -54.3 66.1 12.9 9.0 1.4 17.2 241 243 A G T >> S+ 0 0 0 238,-0.4 3,-1.2 236,-0.3 4,-0.9 0.418 96.9 138.7 98.9 2.1 6.1 1.5 14.8 242 244 A W G X4 S+ 0 0 12 -3,-1.8 3,-1.4 1,-0.3 -2,-0.1 0.884 71.6 46.4 -52.6 -51.8 5.9 5.3 14.2 243 245 A L G 34 S+ 0 0 44 1,-0.3 -1,-0.3 -101,-0.0 237,-0.1 0.720 109.4 56.8 -69.0 -17.4 5.4 5.2 10.4 244 246 A A G <4 0 0 16 -3,-1.2 -1,-0.3 235,-0.3 -2,-0.2 0.643 360.0 360.0 -76.4 -21.5 2.7 2.5 10.8 245 247 A R << 0 0 135 -3,-1.4 -41,-0.1 -4,-0.9 165,-0.0 -0.557 360.0 360.0 -96.6 360.0 0.7 4.7 13.1 246 !* 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 0.0 247 2 B K 0 0 254 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 21.9 25.0 -12.2 23.3 248 3 B N > - 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0 0 1 -59,-0.2 -57,-2.8 -73,-0.1 2,-0.6 -0.563 41.1-153.4 -87.1 148.6 8.4 -2.1 8.5 482 237 B I E -m 424 0C 25 -2,-0.2 2,-0.7 -59,-0.2 -57,-0.2 -0.945 16.2-161.8-117.3 102.5 8.3 -3.4 5.0 483 238 B L E -m 425 0C 2 -59,-2.9 -57,-2.8 -2,-0.6 2,-0.5 -0.801 7.9-146.0 -92.7 112.0 12.0 -4.2 4.0 484 239 B N E -m 426 0C 16 -2,-0.7 2,-0.5 -59,-0.2 -252,-0.2 -0.694 14.6-174.3 -78.7 127.5 12.5 -4.5 0.3 485 240 B V E +m 427 0C 2 -59,-2.4 -57,-2.2 -2,-0.5 -254,-0.2 -0.858 40.5 127.7-118.7 85.5 15.2 -7.1 -0.7 486 241 B D S > S- 0 0 1 -2,-0.5 3,-1.8 -256,-0.3 -57,-0.2 0.217 77.1-106.8-142.3 13.2 15.2 -6.3 -4.3 487 242 B G T 3 S- 0 0 0 -257,-2.7 -33,-2.5 1,-0.3 -32,-0.2 0.639 87.4 -53.8 67.1 11.1 18.5 -5.6 -5.9 488 243 B G T >> S+ 0 0 0 -256,-0.4 4,-1.0 -258,-0.3 3,-0.9 0.465 97.9 137.8 99.6 -0.6 17.6 -1.9 -6.1 489 244 B W G X4 S+ 0 0 13 -3,-1.8 3,-1.2 1,-0.3 -2,-0.1 0.899 72.2 44.9 -49.5 -54.8 14.4 -2.3 -8.0 490 245 B L G 34 S+ 0 0 41 1,-0.3 -1,-0.3 2,-0.2 -257,-0.1 0.740 110.9 55.3 -68.0 -20.4 12.3 0.2 -6.0 491 246 B A G <4 0 0 15 -3,-0.9 -1,-0.3 -259,-0.3 -2,-0.2 0.683 360.0 360.0 -77.6 -17.8 15.1 2.8 -6.1 492 247 B R << 0 0 167 -3,-1.2 -2,-0.2 -4,-1.0 -1,-0.2 0.701 360.0 360.0-100.7 360.0 15.3 2.6 -9.9