==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, METAL BINDING PROTEIN 23-FEB-11 3QU1 . COMPND 2 MOLECULE: PEPTIDE DEFORMYLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR J.OSIPIUK,R.MULLIGAN,L.PAPAZISI,W.F.ANDERSON,A.JOACHIMIAK,CE . 335 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 19.1 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 0.6 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 . 14 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 0 0 0 0 0 0 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 PARALLEL BRIDGES PER LADDER . 0 0 2 2 0 2 0 0 0 0 0 2 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 1 1 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 0 239 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 48.3 -9.0 12.2 24.3 2 2 A A - 0 0 100 1,-0.1 2,-0.2 3,-0.0 35,-0.1 -0.186 360.0-135.9 -65.3 161.4 -8.1 15.8 25.0 3 3 A V - 0 0 67 34,-0.1 2,-0.2 1,-0.1 31,-0.1 -0.668 37.0 -81.5-105.2 172.4 -5.2 17.4 23.2 4 4 A L - 0 0 57 29,-0.4 2,-0.3 -2,-0.2 -1,-0.1 -0.510 49.6-106.3 -70.8 147.6 -2.7 19.6 25.0 5 5 A E - 0 0 154 47,-0.2 2,-0.6 -2,-0.2 -1,-0.1 -0.590 26.0-134.1 -74.6 130.6 -3.6 23.3 25.5 6 6 A I - 0 0 36 -2,-0.3 46,-0.2 31,-0.1 2,-0.2 -0.780 25.1-132.0 -85.4 124.4 -1.9 25.8 23.3 7 7 A L - 0 0 11 44,-3.0 2,-0.4 -2,-0.6 4,-0.1 -0.482 16.2-145.3 -78.6 147.2 -0.7 28.6 25.4 8 8 A T - 0 0 46 -2,-0.2 86,-0.2 2,-0.2 85,-0.1 -0.873 33.9 -63.0-117.8 146.6 -1.3 32.2 24.4 9 9 A A S S+ 0 0 8 84,-2.7 2,-0.1 -2,-0.4 -1,-0.0 -0.381 107.5 49.3 -72.0 142.7 0.9 35.2 24.9 10 10 A P S S+ 0 0 112 0, 0.0 -2,-0.2 0, 0.0 -1,-0.1 0.440 79.2 126.9 -85.1 144.9 1.8 36.6 27.3 11 11 A D > - 0 0 26 -4,-0.1 3,-2.1 -2,-0.1 4,-0.3 -0.878 55.6-138.3-160.3 125.5 3.1 33.5 29.0 12 12 A P G > S+ 0 0 107 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.752 101.8 68.9 -60.5 -22.1 6.7 32.9 30.4 13 13 A R G > S+ 0 0 122 1,-0.3 3,-0.7 2,-0.2 39,-0.1 0.753 92.4 58.5 -66.3 -23.5 6.6 29.4 29.1 14 14 A L G < S+ 0 0 1 -3,-2.1 -1,-0.3 1,-0.2 37,-0.1 0.532 104.1 53.4 -78.7 -10.8 6.7 30.8 25.5 15 15 A R G < S+ 0 0 101 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.333 81.4 114.7-110.1 4.3 10.0 32.6 26.4 16 16 A V S < S- 0 0 59 -3,-0.7 2,-0.6 -4,-0.2 124,-0.1 -0.373 70.5-117.0 -70.6 152.1 12.1 29.6 27.7 17 17 A Q - 0 0 129 122,-0.1 122,-0.2 123,-0.1 121,-0.1 -0.862 38.3-124.7 -82.7 117.6 15.2 28.4 25.9 18 18 A S - 0 0 19 120,-2.7 2,-0.4 -2,-0.6 38,-0.2 -0.241 20.1-123.2 -65.1 154.0 14.3 24.8 24.9 19 19 A K B -a 56 0A 120 36,-3.1 38,-2.1 1,-0.1 56,-0.2 -0.795 25.9-105.4-102.0 140.8 16.6 22.0 26.0 20 20 A Q - 0 0 104 -2,-0.4 2,-0.5 36,-0.2 38,-0.1 -0.344 31.9-124.5 -63.1 138.1 18.3 19.6 23.6 21 21 A V + 0 0 13 36,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.806 33.6 169.8 -80.5 128.8 16.8 16.1 23.5 22 22 A T S S+ 0 0 143 -2,-0.5 2,-0.5 1,-0.2 -1,-0.1 0.529 70.9 52.6-113.3 -15.4 19.4 13.3 24.2 23 23 A D > - 0 0 88 1,-0.1 3,-0.6 2,-0.0 4,-0.3 -0.864 61.1-179.3-124.2 97.0 16.9 10.4 24.5 24 24 A V G > S+ 0 0 27 -2,-0.5 3,-1.6 1,-0.3 4,-0.2 0.886 80.2 59.4 -69.6 -36.3 14.7 10.2 21.4 25 25 A A G > S+ 0 0 77 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.862 99.1 61.8 -60.8 -31.1 12.7 7.2 22.7 26 26 A S G < S+ 0 0 69 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.558 102.5 47.0 -74.5 -10.4 11.7 9.2 25.8 27 27 A V G <> S+ 0 0 5 -3,-1.6 4,-2.3 -4,-0.3 -1,-0.2 0.173 75.0 106.0-117.4 16.4 9.8 11.9 23.9 28 28 A Q H <> S+ 0 0 48 -3,-1.0 4,-2.2 2,-0.2 5,-0.1 0.874 80.8 53.2 -62.1 -35.5 7.7 9.8 21.5 29 29 A T H > S+ 0 0 99 -4,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.950 110.0 47.6 -63.6 -49.3 4.6 10.5 23.6 30 30 A L H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.885 109.3 54.1 -57.7 -42.9 5.2 14.3 23.4 31 31 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.946 111.6 44.5 -61.1 -45.8 5.7 14.0 19.6 32 32 A D H X S+ 0 0 70 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.887 113.1 49.7 -65.1 -43.0 2.4 12.3 19.2 33 33 A D H X S+ 0 0 69 -4,-2.5 4,-2.3 2,-0.2 -29,-0.4 0.867 109.5 53.6 -64.0 -38.1 0.6 14.7 21.5 34 34 A L H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.918 110.5 46.2 -58.8 -47.8 2.1 17.6 19.6 35 35 A L H X S+ 0 0 11 -4,-2.2 4,-3.1 -5,-0.2 5,-0.2 0.949 112.2 49.6 -63.1 -42.8 0.9 16.3 16.3 36 36 A D H X S+ 0 0 89 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.897 112.2 49.7 -61.5 -40.6 -2.6 15.6 17.7 37 37 A T H X S+ 0 0 2 -4,-2.3 4,-0.6 2,-0.2 3,-0.3 0.949 112.6 46.9 -63.6 -45.9 -2.7 19.1 19.1 38 38 A L H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 6,-0.4 0.917 111.1 50.7 -59.8 -46.6 -1.7 20.5 15.8 39 39 A Y H 3< S+ 0 0 63 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.721 103.8 61.0 -71.0 -17.9 -4.2 18.4 13.9 40 40 A A H 3< S+ 0 0 62 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.666 86.5 93.2 -82.5 -13.4 -6.9 19.6 16.2 41 41 A T S << S- 0 0 22 -3,-1.3 51,-0.0 -4,-0.6 -3,-0.0 -0.405 85.1-121.9 -73.0 152.6 -6.4 23.3 15.2 42 42 A D S S- 0 0 108 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.0 0.911 98.6 -11.7 -60.8 -42.7 -8.5 24.7 12.4 43 43 A N S S+ 0 0 55 -5,-0.0 -1,-0.2 -3,-0.0 2,-0.2 0.085 86.4 143.9-153.0 31.4 -5.5 25.5 10.2 44 44 A G + 0 0 0 -6,-0.4 3,-0.1 1,-0.1 291,-0.1 -0.495 17.9 177.5 -76.3 144.5 -2.3 25.3 12.1 45 45 A I + 0 0 29 291,-2.1 17,-2.4 1,-0.3 2,-0.3 0.490 65.7 33.8-123.6 -8.8 0.6 24.0 10.2 46 46 A G E +B 61 0B 0 290,-2.1 2,-0.4 15,-0.2 -1,-0.3 -0.991 55.8 177.8-149.2 137.5 3.4 24.2 12.8 47 47 A L E -B 60 0B 0 13,-2.8 13,-2.7 -2,-0.3 2,-0.3 -0.997 11.4-157.3-139.0 135.3 3.7 23.8 16.5 48 48 A A E > -B 59 0B 0 -2,-0.4 3,-2.0 11,-0.2 4,-0.3 -0.862 30.0-113.7-110.6 146.5 6.7 24.0 18.8 49 49 A A G > >S+ 0 0 0 9,-2.6 5,-2.1 -2,-0.3 3,-1.9 0.780 111.1 62.2 -50.3 -40.3 6.9 22.4 22.2 50 50 A P G > 5S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 0.828 91.7 68.8 -56.1 -28.0 7.1 25.6 24.3 51 51 A Q G < 5S+ 0 0 0 -3,-2.0 -44,-3.0 1,-0.3 -2,-0.2 0.641 105.4 40.7 -69.6 -14.1 3.6 26.4 22.9 52 52 A V G < 5S- 0 0 21 -3,-1.9 -1,-0.3 -4,-0.3 -47,-0.2 0.213 126.6 -99.1-110.1 14.8 2.3 23.6 25.1 53 53 A G T < 5S+ 0 0 33 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.667 80.0 134.2 82.1 20.4 4.5 24.4 28.1 54 54 A R < - 0 0 88 -5,-2.1 -1,-0.3 -6,-0.1 -2,-0.2 -0.755 49.5-149.5-109.7 148.8 7.2 21.8 27.3 55 55 A E + 0 0 97 -2,-0.3 -36,-3.1 -37,-0.1 -1,-0.1 0.556 59.2 112.2 -94.1 -16.5 10.9 22.4 27.4 56 56 A E B S-a 19 0A 32 -38,-0.2 2,-1.8 1,-0.1 -7,-0.2 -0.352 74.5-118.8 -66.9 139.9 12.1 19.9 24.8 57 57 A A + 0 0 3 -38,-2.1 18,-2.9 -8,-0.1 2,-0.4 -0.565 67.3 130.6 -79.1 78.8 13.6 21.2 21.5 58 58 A I E - C 0 74B 0 -2,-1.8 -9,-2.6 16,-0.2 2,-0.4 -1.000 32.8-177.8-139.0 137.2 10.9 19.6 19.2 59 59 A V E -BC 48 73B 0 14,-2.2 14,-2.9 -2,-0.4 2,-0.4 -0.974 8.8-158.9-130.3 143.6 8.8 21.1 16.4 60 60 A V E +BC 47 72B 0 -13,-2.7 -13,-2.8 -2,-0.4 2,-0.3 -0.984 13.2 179.8-125.4 139.6 6.1 19.4 14.3 61 61 A I E +BC 46 71B 2 10,-2.4 10,-3.0 -2,-0.4 2,-0.3 -0.980 14.4 176.7-135.9 140.8 4.9 20.6 10.9 62 62 A D + 0 0 2 -17,-2.4 -2,-0.0 -2,-0.3 10,-0.0 -0.788 5.1 171.6-150.2 110.6 2.4 19.5 8.4 63 63 A L + 0 0 73 6,-0.4 2,-0.1 -2,-0.3 -17,-0.1 0.392 44.8 114.0 -89.2 -5.7 1.9 21.6 5.3 64 64 A S - 0 0 29 5,-0.2 3,-0.3 1,-0.1 5,-0.1 -0.416 67.5-135.3 -82.1 149.7 -0.4 19.1 3.5 65 65 A D S S+ 0 0 170 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.947 110.5 46.4 -60.8 -45.9 -4.1 19.7 2.7 66 66 A N S S- 0 0 122 1,-0.1 -1,-0.2 -3,-0.0 -2,-0.0 0.643 104.7-130.7 -70.3 -19.7 -4.8 16.1 3.9 67 67 A R S S+ 0 0 68 -3,-0.3 -2,-0.1 2,-0.1 -1,-0.1 0.833 76.2 113.9 65.0 39.1 -2.8 16.5 7.1 68 68 A D + 0 0 85 1,-0.1 -1,-0.1 2,-0.0 -3,-0.1 0.003 50.7 82.2-123.7 24.4 -1.0 13.2 6.5 69 69 A Q - 0 0 120 -5,-0.1 -6,-0.4 2,-0.0 -5,-0.2 -0.514 61.5-179.0-127.0 65.0 2.5 14.6 5.9 70 70 A P - 0 0 71 0, 0.0 2,-0.5 0, 0.0 -8,-0.2 -0.443 10.6-164.1 -70.2 137.6 4.0 15.1 9.4 71 71 A L E -C 61 0B 41 -10,-3.0 -10,-2.4 -2,-0.1 2,-0.5 -0.991 4.8-166.0-118.9 119.5 7.5 16.5 9.7 72 72 A V E -C 60 0B 13 -2,-0.5 2,-0.5 -12,-0.2 -12,-0.2 -0.936 2.5-170.3-109.6 123.6 9.1 16.1 13.1 73 73 A L E -C 59 0B 0 -14,-2.9 -14,-2.2 -2,-0.5 2,-0.4 -0.970 1.0-172.1-118.9 110.8 12.2 18.1 13.8 74 74 A I E S-CD 58 112B 0 38,-2.8 38,-2.6 -2,-0.5 -16,-0.2 -0.882 76.3 -3.9-100.6 138.7 14.1 17.3 17.0 75 75 A N E S- 0 0 21 -18,-2.9 -1,-0.2 -2,-0.4 -17,-0.1 0.850 90.6-172.2 43.8 45.0 17.0 19.6 18.0 76 76 A P E - 0 0 10 0, 0.0 2,-0.3 0, 0.0 35,-0.2 -0.341 10.5-178.5 -67.5 149.2 16.5 21.7 14.8 77 77 A K E - D 0 110B 127 33,-2.0 33,-2.3 -2,-0.0 2,-0.7 -0.990 30.8-125.2-144.4 138.5 18.9 24.5 13.9 78 78 A V E - D 0 109B 57 -2,-0.3 31,-0.2 31,-0.2 3,-0.1 -0.775 28.8-179.2 -81.2 117.1 19.0 26.9 10.9 79 79 A V E - 0 0 59 29,-2.9 2,-0.3 -2,-0.7 -1,-0.2 0.878 60.1 -22.1 -89.0 -37.2 22.4 26.3 9.4 80 80 A S E + D 0 108B 62 28,-1.3 28,-3.0 2,-0.0 -1,-0.3 -0.984 59.0 172.2-160.8 166.1 22.2 28.8 6.6 81 81 A G E - D 0 107B 27 -2,-0.3 2,-0.3 26,-0.3 26,-0.2 -0.968 6.2-167.3-173.4 169.4 19.9 30.8 4.4 82 82 A S E + D 0 106B 67 24,-2.0 24,-1.8 -2,-0.3 23,-0.9 -0.933 53.1 54.6-154.2 170.4 19.6 33.5 1.9 83 83 A N E - 0 0 100 -2,-0.3 22,-2.0 21,-0.2 -1,-0.2 0.989 65.0-150.5 59.7 68.9 17.1 35.9 0.0 84 84 A K E + D 0 104B 120 20,-0.3 2,-0.3 21,-0.1 20,-0.2 -0.477 23.4 169.7 -65.8 134.8 15.4 37.6 2.8 85 85 A E E - D 0 103B 107 18,-2.3 18,-2.2 -2,-0.2 2,-0.3 -0.985 35.5-111.7-145.8 148.5 11.8 38.7 2.1 86 86 A M E + D 0 102B 105 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.638 42.4 167.5 -73.2 140.8 8.9 40.1 4.1 87 87 A G E - D 0 101B 33 14,-2.0 14,-2.5 -2,-0.3 2,-0.2 -0.986 37.8-100.6-156.1 146.9 6.0 37.7 4.4 88 88 A Q E + D 0 100B 55 -2,-0.3 247,-0.5 12,-0.3 246,-0.3 -0.500 43.0 179.0 -71.9 136.5 2.8 37.6 6.5 89 89 A E E - D 0 99B 2 10,-2.8 10,-2.0 -2,-0.2 2,-0.2 -0.949 14.2-175.7-129.9 158.2 2.8 35.3 9.5 90 90 A G - 0 0 0 245,-2.5 2,-0.3 -2,-0.3 8,-0.1 -0.699 13.8-145.0-128.4-172.3 0.5 34.3 12.3 91 91 A C > - 0 0 5 3,-0.5 3,-1.8 6,-0.3 6,-0.2 -0.922 21.2-133.3-158.3 135.0 1.0 32.1 15.3 92 92 A L T 3 S+ 0 0 26 -46,-0.3 -1,-0.1 -2,-0.3 -86,-0.1 0.775 113.7 50.1 -57.4 -26.9 -1.3 29.7 17.3 93 93 A S T 3 S+ 0 0 0 1,-0.2 -84,-2.7 -85,-0.1 -1,-0.3 0.483 113.6 44.4 -93.4 -1.9 0.1 31.3 20.4 94 94 A V S X S- 0 0 0 -3,-1.8 3,-1.3 -86,-0.2 -3,-0.5 -0.581 91.8-166.4-128.6 61.6 -0.6 34.9 19.2 95 95 A P T 3 + 0 0 17 0, 0.0 67,-0.2 0, 0.0 68,-0.1 -0.208 60.5 11.9 -61.9 141.5 -4.1 34.2 17.8 96 96 A D T 3 S+ 0 0 12 1,-0.2 2,-0.5 66,-0.1 234,-0.1 0.552 98.6 107.0 76.5 13.0 -5.9 36.7 15.6 97 97 A Y < + 0 0 19 -3,-1.3 2,-0.4 -6,-0.2 -6,-0.3 -0.984 42.7 179.9-122.8 127.4 -2.8 38.9 14.9 98 98 A Y + 0 0 11 -2,-0.5 2,-0.3 -8,-0.1 -8,-0.2 -0.976 8.4 156.8-127.4 137.6 -1.1 38.8 11.5 99 99 A A E -D 89 0B 11 -10,-2.0 -10,-2.8 -2,-0.4 2,-0.4 -0.991 43.0 -94.1-153.8 163.9 1.9 40.8 10.3 100 100 A D E +D 88 0B 91 -2,-0.3 2,-0.3 -12,-0.3 -12,-0.3 -0.660 42.5 177.6 -85.0 133.5 4.8 40.9 7.9 101 101 A V E -D 87 0B 2 -14,-2.5 -14,-2.0 -2,-0.4 2,-0.4 -0.944 29.4-114.0-133.9 147.4 8.1 39.5 9.2 102 102 A E E +D 86 0B 105 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.693 43.0 157.7 -89.5 131.6 11.4 39.0 7.4 103 103 A R E -D 85 0B 15 -18,-2.2 -18,-2.3 -2,-0.4 2,-0.3 -0.957 47.9 -95.7-138.8 161.9 12.7 35.5 6.8 104 104 A Y E -D 84 0B 85 -2,-0.3 -20,-0.3 -20,-0.2 -21,-0.2 -0.603 25.3-154.9 -69.0 135.1 15.1 33.8 4.5 105 105 A T E S+ 0 0 27 -22,-2.0 2,-0.4 -23,-0.9 23,-0.2 0.580 85.9 49.5 -90.0 -10.9 13.1 32.4 1.6 106 106 A S E S+D 82 0B 30 -24,-1.8 -24,-2.0 22,-0.1 2,-0.3 -0.998 79.2 169.2-122.1 131.0 15.9 29.8 1.0 107 107 A V E -DE 81 123B 5 16,-2.5 16,-2.4 -2,-0.4 2,-0.4 -0.981 32.6-149.1-145.5 149.7 17.0 27.9 4.0 108 108 A V E -DE 80 122B 18 -28,-3.0 -29,-2.9 -2,-0.3 -28,-1.3 -0.995 22.8-177.9-116.0 123.8 19.1 24.9 5.3 109 109 A V E -DE 78 121B 1 12,-2.8 12,-3.2 -2,-0.4 2,-0.4 -0.965 9.9-163.2-118.4 137.8 17.9 23.2 8.5 110 110 A E E +DE 77 120B 84 -33,-2.3 -33,-2.0 -2,-0.4 2,-0.3 -0.949 29.4 131.3-116.6 141.1 19.6 20.3 10.3 111 111 A A E - 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0 0 20 5,-0.2 3,-0.5 1,-0.1 5,-0.1 -0.345 67.2-132.5 -79.2 151.7 -22.9 24.6 27.5 233 65 B D T 3 S+ 0 0 158 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.908 110.4 47.4 -63.2 -38.5 -19.3 23.9 28.7 234 66 B N T 3 S- 0 0 131 1,-0.0 -1,-0.2 2,-0.0 -2,-0.0 0.594 104.1-132.0 -82.2 -9.3 -19.7 20.2 27.8 235 67 B R S < S+ 0 0 75 -3,-0.5 -2,-0.1 1,-0.1 -1,-0.0 0.834 76.7 111.2 59.7 41.1 -21.2 21.0 24.3 236 68 B D + 0 0 104 1,-0.1 -1,-0.1 2,-0.0 -3,-0.1 -0.011 49.6 84.5-130.8 28.6 -24.0 18.5 24.8 237 69 B Q - 0 0 134 -5,-0.1 -6,-0.4 2,-0.0 -5,-0.2 -0.513 60.6-175.1-131.6 63.5 -27.0 21.0 25.0 238 70 B P - 0 0 69 0, 0.0 2,-0.5 0, 0.0 -8,-0.2 -0.353 8.6-163.9 -64.1 133.7 -28.1 21.8 21.4 239 71 B L E -H 229 0C 43 -10,-2.7 -10,-2.1 -2,-0.1 2,-0.5 -0.986 6.2-166.5-116.3 118.7 -30.8 24.4 20.9 240 72 B V E -H 228 0C 11 -2,-0.5 2,-0.5 -12,-0.2 -12,-0.2 -0.909 1.8-168.6-108.6 127.5 -32.3 24.3 17.5 241 73 B L E -H 227 0C 0 -14,-2.9 -14,-2.4 -2,-0.5 2,-0.5 -0.965 1.1-169.8-122.1 115.2 -34.5 27.2 16.4 242 74 B I E S-HI 226 280C 0 38,-2.9 38,-2.5 -2,-0.5 -16,-0.2 -0.886 75.3 -5.1-105.3 135.4 -36.6 27.0 13.3 243 75 B N E S- 0 0 17 -18,-2.9 -1,-0.2 -2,-0.5 -17,-0.1 0.880 90.1-170.4 48.9 47.1 -38.2 30.1 12.0 244 76 B P E - 0 0 5 0, 0.0 2,-0.3 0, 0.0 35,-0.2 -0.344 11.4-179.8 -72.0 143.5 -37.0 32.2 15.0 245 77 B K E - I 0 278C 91 33,-2.5 33,-2.1 -2,-0.1 2,-0.7 -0.998 31.0-125.8-139.0 143.0 -38.2 35.7 15.7 246 78 B V E + I 0 277C 58 -2,-0.3 31,-0.3 31,-0.2 3,-0.1 -0.803 28.9 178.4 -82.6 117.3 -37.5 38.2 18.4 247 79 B V E - 0 0 63 29,-2.6 2,-0.3 -2,-0.7 30,-0.2 0.719 61.2 -12.5 -94.9 -28.7 -40.9 39.1 19.7 248 80 B S E + I 0 276C 59 28,-1.5 28,-2.4 2,-0.0 -1,-0.3 -0.980 59.2 178.5-163.6 170.9 -39.8 41.6 22.4 249 81 B G E - I 0 275C 29 -2,-0.3 2,-0.3 26,-0.3 26,-0.3 -0.974 3.0-174.9-171.0 157.7 -36.9 42.9 24.3 250 82 B S E + I 0 274C 52 24,-2.5 24,-1.9 -2,-0.3 23,-0.9 -0.940 52.4 51.5-151.0 171.0 -35.7 45.3 27.0 251 83 B N E - 0 0 105 -2,-0.3 22,-1.9 21,-0.2 -1,-0.2 0.968 64.8-146.8 64.4 65.4 -32.6 46.6 28.7 252 84 B K E + I 0 272C 128 20,-0.2 2,-0.3 21,-0.1 20,-0.2 -0.417 28.3 163.5 -63.1 129.9 -30.2 47.7 25.9 253 85 B E E - I 0 271C 122 18,-2.3 18,-2.4 -2,-0.2 2,-0.3 -0.985 36.9-113.8-144.6 153.9 -26.5 47.2 26.7 254 86 B M E + I 0 270C 108 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.660 39.6 165.4 -83.7 143.7 -23.2 47.1 24.8 255 87 B G E - I 0 269C 32 14,-1.5 14,-2.5 -2,-0.3 2,-0.2 -0.981 38.9-100.0-159.6 148.0 -21.3 43.8 24.8 256 88 B Q E + I 0 268C 53 -2,-0.3 -89,-0.5 12,-0.2 2,-0.3 -0.445 42.3 179.5 -75.2 137.3 -18.4 42.3 22.8 257 89 B E E -fI 167 267C 1 10,-2.6 10,-1.9 -2,-0.2 2,-0.2 -0.938 13.4-176.2-129.9 157.0 -19.3 39.9 20.0 258 90 B G - 0 0 0 -91,-1.9 2,-0.3 -2,-0.3 8,-0.1 -0.755 11.9-150.8-128.9-173.1 -17.5 37.9 17.4 259 91 B C > - 0 0 6 3,-0.4 3,-2.1 6,-0.3 6,-0.3 -0.912 23.1-132.2-160.9 136.2 -18.7 35.7 14.6 260 92 B L T 3 S+ 0 0 29 -46,-0.3 -86,-0.1 1,-0.3 -1,-0.1 0.748 113.3 55.2 -60.8 -23.7 -17.3 32.6 12.8 261 93 B S T 3 S+ 0 0 0 1,-0.2 -84,-2.7 -85,-0.1 -1,-0.3 0.458 111.4 42.6 -88.7 -6.9 -18.2 34.4 9.5 262 94 B V S X S- 0 0 0 -3,-2.1 3,-1.4 -86,-0.2 -3,-0.4 -0.560 95.8-159.9-127.6 63.4 -16.1 37.5 10.5 263 95 B P T 3 + 0 0 14 0, 0.0 67,-0.2 0, 0.0 68,-0.1 -0.168 61.0 5.2 -60.7 137.8 -13.1 35.6 11.9 264 96 B D T 3 S+ 0 0 20 1,-0.2 2,-0.5 66,-0.1 -102,-0.1 0.376 99.2 109.4 84.5 4.3 -10.7 37.3 14.3 265 97 B Y < + 0 0 24 -3,-1.4 2,-0.4 -6,-0.3 -6,-0.3 -0.937 41.1 178.5-117.4 126.0 -12.6 40.6 14.7 266 98 B Y + 0 0 18 -2,-0.5 2,-0.3 -8,-0.1 -8,-0.2 -0.968 7.9 156.1-126.4 141.4 -14.4 41.5 17.9 267 99 B A E -I 257 0C 6 -10,-1.9 -10,-2.6 -2,-0.4 2,-0.3 -0.988 44.0 -89.8-158.1 161.9 -16.3 44.6 18.8 268 100 B D E -I 256 0C 84 -2,-0.3 2,-0.4 -12,-0.3 -12,-0.2 -0.609 41.4-177.7 -82.7 136.9 -19.0 45.9 21.1 269 101 B V E -I 255 0C 3 -14,-2.5 -14,-1.5 -2,-0.3 2,-0.3 -0.979 26.4-119.0-132.9 141.0 -22.6 45.7 19.8 270 102 B E E +I 254 0C 102 -2,-0.4 2,-0.3 -16,-0.2 -16,-0.2 -0.663 42.4 159.8 -81.9 133.5 -25.8 46.9 21.4 271 103 B R E -I 253 0C 12 -18,-2.4 -18,-2.3 -2,-0.3 2,-0.4 -0.966 48.4 -94.4-140.6 163.9 -28.4 44.3 22.2 272 104 B Y E -I 252 0C 82 -2,-0.3 -20,-0.2 -20,-0.2 -21,-0.2 -0.643 28.5-156.4 -68.3 130.8 -31.4 43.7 24.4 273 105 B T E S+ 0 0 27 -22,-1.9 2,-0.4 -23,-0.9 23,-0.2 0.613 84.7 47.4 -90.6 -9.2 -30.1 42.0 27.5 274 106 B S E S+I 250 0C 21 -24,-1.9 -24,-2.5 22,-0.1 2,-0.3 -1.000 78.8 163.1-124.1 134.9 -33.6 40.6 28.1 275 107 B V E -IJ 249 291C 4 16,-2.3 16,-2.2 -2,-0.4 2,-0.4 -0.970 33.1-147.2-149.4 155.8 -35.5 39.0 25.2 276 108 B V E -IJ 248 290C 7 -28,-2.4 -29,-2.6 -2,-0.3 -28,-1.5 -0.999 21.7-176.8-127.1 126.9 -38.3 36.8 24.1 277 109 B V E -IJ 246 289C 0 12,-2.5 12,-2.8 -2,-0.4 2,-0.4 -0.974 10.8-158.7-120.7 136.4 -38.0 34.7 21.0 278 110 B E E +IJ 245 288C 98 -33,-2.1 -33,-2.5 -2,-0.4 2,-0.3 -0.916 31.5 134.1-112.9 140.5 -40.6 32.4 19.4 279 111 B A E - J 0 287C 8 8,-2.1 8,-2.7 -2,-0.4 2,-0.4 -0.896 51.3 -97.5-157.5-176.2 -39.5 29.6 17.2 280 112 B L E -IJ 242 286C 44 -38,-2.5 -38,-2.9 -2,-0.3 2,-0.1 -0.922 33.3-127.2-111.5 148.9 -40.1 25.9 16.5 281 113 B D > - 0 0 35 4,-2.6 3,-2.1 -2,-0.4 -40,-0.1 -0.201 43.6 -85.6 -80.8-177.0 -37.9 23.2 17.9 282 114 B R T 3 S+ 0 0 51 1,-0.3 -87,-0.1 -42,-0.2 -83,-0.1 0.667 131.7 54.5 -71.6 -13.8 -36.5 20.5 15.6 283 115 B E T 3 S- 0 0 130 2,-0.1 -1,-0.3 -87,-0.0 -90,-0.1 0.391 121.8-107.2 -92.3 -1.1 -39.7 18.4 16.0 284 116 B G S < S+ 0 0 22 -3,-2.1 -2,-0.1 1,-0.3 3,-0.0 0.548 72.4 141.1 85.6 12.3 -41.7 21.4 14.9 285 117 B K - 0 0 132 1,-0.1 -4,-2.6 -5,-0.0 -1,-0.3 -0.613 60.2 -98.4 -88.6 142.6 -43.2 22.2 18.3 286 118 B P E -J 280 0C 114 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.320 40.1-167.0 -61.0 145.8 -43.6 25.8 19.3 287 119 B L E -J 279 0C 47 -8,-2.7 -8,-2.1 -6,-0.1 2,-0.5 -0.992 10.7-171.1-132.3 133.7 -40.9 27.2 21.6 288 120 B R E -J 278 0C 144 -2,-0.4 2,-0.6 -10,-0.2 -10,-0.2 -0.997 8.6-170.4-126.6 122.0 -41.0 30.4 23.5 289 121 B I E -J 277 0C 26 -12,-2.8 -12,-2.5 -2,-0.5 2,-0.5 -0.975 6.6-178.3-117.7 119.4 -37.7 31.4 25.1 290 122 B E E +J 276 0C 139 -2,-0.6 2,-0.3 -14,-0.2 -14,-0.2 -0.979 21.8 157.3-114.8 122.3 -37.6 34.2 27.6 291 123 B T E -J 275 0C 14 -16,-2.2 -16,-2.3 -2,-0.5 -2,-0.1 -1.000 42.1-173.9-153.5 144.6 -34.1 35.0 28.9 292 124 B S + 0 0 79 -2,-0.3 -1,-0.1 -18,-0.2 2,-0.1 0.159 69.1 94.9-116.7 13.6 -31.9 37.6 30.4 293 125 B D S >> S- 0 0 124 1,-0.0 3,-1.8 3,-0.0 4,-0.6 -0.190 101.5 -77.8 -92.5-174.0 -28.7 35.5 30.2 294 126 B F H >> S+ 0 0 39 1,-0.3 4,-2.0 2,-0.2 3,-0.9 0.825 123.2 74.8 -58.7 -28.9 -26.0 35.4 27.6 295 127 B L H 3> S+ 0 0 35 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.807 86.3 62.5 -49.3 -37.7 -28.4 33.3 25.5 296 128 B A H <> S+ 0 0 0 -3,-1.8 4,-1.7 -23,-0.2 -1,-0.2 0.921 106.0 44.4 -54.8 -46.2 -30.4 36.5 24.8 297 129 B I H < S+ 0 0 18 -4,-3.0 3,-1.2 -5,-0.2 4,-0.5 0.877 102.8 60.8 -60.0 -36.3 -31.4 35.6 14.3 304 136 B D H ><>S+ 0 0 27 -4,-1.9 5,-2.2 1,-0.3 3,-1.5 0.868 95.1 62.9 -58.7 -36.9 -29.8 38.6 12.6 305 137 B H H ><5S+ 0 0 1 -4,-1.1 3,-1.8 -3,-0.5 -1,-0.3 0.837 95.3 60.1 -55.6 -32.6 -28.0 36.3 10.2 306 138 B L T <<5S+ 0 0 15 -3,-1.2 -120,-2.7 -4,-0.7 -1,-0.3 0.636 103.2 51.0 -76.6 -15.5 -31.4 35.2 8.9 307 139 B S T < 5S- 0 0 53 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.210 125.1-104.7 -93.8 9.9 -32.1 38.7 7.9 308 140 B G T < 5S+ 0 0 4 -3,-1.8 2,-0.4 -124,-0.3 -3,-0.2 0.760 77.3 138.9 69.7 25.3 -28.7 38.9 6.1 309 141 B N < - 0 0 58 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.2 -0.872 37.5-161.9-108.0 139.1 -27.2 41.0 8.9 310 142 B L > - 0 0 1 -2,-0.4 3,-1.9 -3,-0.1 4,-0.3 -0.833 32.2-116.8-111.3 156.2 -23.7 40.6 10.4 311 143 B F G > S+ 0 0 2 -2,-0.3 3,-1.7 1,-0.3 4,-0.2 0.814 112.3 65.4 -68.3 -28.6 -22.8 42.2 13.7 312 144 B I G > S+ 0 0 3 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.693 82.7 79.2 -64.1 -19.5 -20.2 44.5 12.1 313 145 B D G < S+ 0 0 46 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.728 89.9 54.3 -59.1 -25.0 -23.2 46.2 10.3 314 146 B Y G < S+ 0 0 122 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.504 95.5 91.5 -84.1 -8.8 -23.9 48.1 13.5 315 147 B L S < S- 0 0 18 -3,-1.8 -46,-0.1 -4,-0.2 -3,-0.0 -0.332 88.6 -84.3 -89.7 162.3 -20.3 49.4 13.8 316 148 B S > - 0 0 58 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.293 45.0-107.4 -52.6 153.6 -18.8 52.7 12.5 317 149 B P H > S+ 0 0 110 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.845 120.5 54.7 -51.3 -40.2 -17.6 52.6 8.9 318 150 B L H > S+ 0 0 104 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.939 108.0 47.4 -62.4 -49.5 -14.0 52.5 10.1 319 151 B K H > S+ 0 0 93 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.891 110.3 53.3 -57.1 -40.0 -14.6 49.5 12.3 320 152 B Q H X S+ 0 0 64 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.942 109.6 48.6 -61.6 -44.7 -16.3 47.7 9.4 321 153 B Q H X S+ 0 0 103 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.915 111.3 49.8 -60.2 -43.9 -13.3 48.4 7.2 322 154 B M H X S+ 0 0 76 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.888 109.0 52.8 -61.4 -40.9 -11.0 47.1 9.9 323 155 B A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.916 109.1 48.2 -61.7 -47.2 -13.0 44.0 10.3 324 156 B M H X S+ 0 0 66 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.892 111.2 50.9 -64.4 -35.6 -12.9 43.2 6.6 325 157 B K H X S+ 0 0 117 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.872 111.0 48.7 -67.0 -40.6 -9.2 43.8 6.5 326 158 B K H X S+ 0 0 18 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.938 109.7 51.2 -66.3 -44.1 -8.7 41.4 9.5 327 159 B V H X S+ 0 0 3 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.942 109.7 51.4 -58.7 -45.2 -10.8 38.7 7.9 328 160 B K H X S+ 0 0 132 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.890 108.4 50.3 -60.2 -41.3 -8.8 39.0 4.7 329 161 B K H X S+ 0 0 88 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.915 112.2 47.7 -59.6 -47.3 -5.5 38.6 6.6 330 162 B H H < S+ 0 0 37 -4,-2.3 -2,-0.2 -67,-0.2 -1,-0.2 0.941 114.6 46.7 -58.7 -46.2 -6.9 35.5 8.4 331 163 B V H < S+ 0 0 82 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.887 117.7 41.3 -67.5 -38.4 -8.1 34.0 5.0 332 164 B K H < S+ 0 0 140 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.687 91.7 106.8 -84.8 -15.9 -4.9 34.7 3.2 333 165 B N < + 0 0 14 -4,-1.9 -244,-0.1 -5,-0.2 3,-0.1 -0.285 34.5 169.5 -69.6 147.2 -2.5 33.7 5.9 334 166 B R + 0 0 159 -246,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.653 54.8 78.0-115.8 -55.0 -0.5 30.4 5.6 335 167 B A 0 0 2 -247,-0.5 -245,-2.5 -291,-0.1 -1,-0.1 -0.474 360.0 360.0 -70.5 113.2 2.1 30.4 8.4 336 168 B R 0 0 18 -2,-0.6 -290,-2.1 -247,-0.2 -291,-2.1 -0.954 360.0 360.0-137.7 360.0 0.6 29.5 11.9