==== 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 31-JAN-07 2OQ2 . COMPND 2 MOLECULE: PHOSPHOADENOSINE PHOSPHOSULFATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Z.YU,A.J.FISHER . 1006 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42739.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 620 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 27 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 303 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 3.6 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 5 0 0 0 8 0 6 10 0 3 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 13 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 . 4 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 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 0 108 0, 0.0 2,-0.3 0, 0.0 261,-0.0 0.000 360.0 360.0 360.0 109.4 37.1 10.2 60.7 2 2 A K - 0 0 92 2,-0.0 12,-2.2 11,-0.0 2,-0.3 -0.571 360.0-172.7 -69.4 126.8 36.9 11.2 57.1 3 3 A T E -A 13 0A 40 -2,-0.3 2,-0.5 10,-0.2 10,-0.2 -0.947 14.2-141.7-122.8 149.0 36.1 14.9 56.6 4 4 A Y E -A 12 0A 37 8,-3.1 8,-1.9 -2,-0.3 2,-0.6 -0.927 9.3-143.3-112.9 127.6 35.2 16.8 53.5 5 5 A H E +A 11 0A 109 -2,-0.5 2,-0.2 6,-0.2 6,-0.2 -0.812 26.3 179.6 -94.6 123.2 36.5 20.4 52.8 6 6 A L > - 0 0 15 4,-2.5 3,-0.6 -2,-0.6 4,-0.2 -0.688 34.9 -76.7-115.9 167.3 34.0 22.6 51.0 7 7 A N G > S+ 0 0 16 173,-2.7 3,-1.3 145,-0.3 -1,-0.2 -0.148 112.5 34.4 -55.3 158.2 33.8 26.2 49.7 8 8 A N G 3 S- 0 0 23 1,-0.2 -1,-0.2 144,-0.0 260,-0.1 0.781 129.9 -75.7 59.1 30.1 33.1 28.9 52.3 9 9 A D G < S+ 0 0 99 -3,-0.6 -1,-0.2 1,-0.2 2,-0.2 0.603 86.7 152.9 61.1 18.2 35.1 27.0 54.9 10 10 A I < - 0 0 3 -3,-1.3 -4,-2.5 -4,-0.2 2,-0.4 -0.525 26.7-161.0 -75.9 142.3 32.3 24.5 55.5 11 11 A I E -A 5 0A 23 253,-0.4 253,-0.4 -2,-0.2 2,-0.4 -0.994 6.9-170.0-129.9 133.0 33.3 21.0 56.7 12 12 A V E -A 4 0A 2 -8,-1.9 -8,-3.1 -2,-0.4 2,-0.2 -0.988 11.1-148.2-121.9 130.5 31.3 17.8 56.6 13 13 A T E > -A 3 0A 0 -2,-0.4 4,-2.1 -10,-0.2 3,-0.3 -0.580 28.5-114.1 -89.0 160.0 32.2 14.6 58.3 14 14 A Q H > S+ 0 0 52 -12,-2.2 4,-3.3 1,-0.2 5,-0.3 0.865 118.0 59.4 -57.4 -38.1 31.3 11.1 56.9 15 15 A E H > S+ 0 0 72 -13,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.878 106.9 45.5 -60.1 -41.8 29.0 10.7 59.9 16 16 A Q H > S+ 0 0 12 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.912 114.3 48.5 -64.7 -46.1 27.0 13.8 58.9 17 17 A L H X S+ 0 0 14 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.950 115.0 44.4 -60.1 -52.2 26.9 12.7 55.3 18 18 A D H X S+ 0 0 70 -4,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.868 112.5 53.5 -57.5 -42.0 25.8 9.1 56.2 19 19 A H H X S+ 0 0 17 -4,-2.1 4,-2.3 -5,-0.3 5,-0.2 0.909 107.7 49.6 -64.8 -42.7 23.2 10.5 58.7 20 20 A W H X S+ 0 0 8 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.920 111.5 48.4 -62.8 -44.5 21.6 12.8 56.2 21 21 A N H X S+ 0 0 32 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.773 113.1 49.1 -67.2 -28.5 21.2 10.0 53.6 22 22 A E H < S+ 0 0 120 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.869 118.8 37.1 -75.1 -41.6 19.7 7.7 56.3 23 23 A Q H >< S+ 0 0 20 -4,-2.3 3,-1.5 269,-0.2 4,-0.2 0.865 111.1 58.4 -78.7 -37.8 17.2 10.3 57.5 24 24 A L H >< S+ 0 0 1 -4,-2.9 3,-1.6 1,-0.3 -1,-0.2 0.765 92.6 67.2 -69.8 -26.1 16.3 11.9 54.2 25 25 A I T 3< S+ 0 0 86 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.677 93.4 63.7 -64.6 -15.7 15.1 8.5 52.7 26 26 A K T < S+ 0 0 23 -3,-1.5 -1,-0.3 -4,-0.1 2,-0.2 0.607 80.2 101.4 -82.2 -14.1 12.3 8.8 55.3 27 27 A L < - 0 0 24 -3,-1.6 6,-0.0 -4,-0.2 -3,-0.0 -0.529 64.3-150.5 -74.9 139.9 11.0 12.0 53.6 28 28 A E + 0 0 82 -2,-0.2 -1,-0.1 1,-0.0 3,-0.0 0.691 69.6 33.5 -87.9 -22.3 7.9 11.3 51.4 29 29 A T S > S- 0 0 40 1,-0.1 4,-1.4 929,-0.0 3,-0.4 -0.933 71.4-122.8-137.0 153.4 8.3 14.0 48.8 30 30 A P H > S+ 0 0 2 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.867 113.4 63.8 -60.5 -35.4 11.0 15.9 46.9 31 31 A Q H > S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.847 101.8 49.9 -56.5 -36.3 9.4 19.1 48.3 32 32 A E H > S+ 0 0 71 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.889 111.3 47.2 -68.4 -41.4 10.3 17.9 51.8 33 33 A I H X S+ 0 0 8 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.925 114.8 47.6 -62.7 -46.8 13.9 17.2 50.7 34 34 A I H X S+ 0 0 0 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.935 110.6 51.0 -60.3 -48.1 14.0 20.6 49.0 35 35 A A H X S+ 0 0 18 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.902 112.0 47.5 -57.2 -43.0 12.5 22.4 52.1 36 36 A W H X S+ 0 0 13 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.910 111.0 51.1 -63.1 -45.2 15.1 20.7 54.4 37 37 A S H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.895 108.8 51.4 -59.4 -47.0 18.0 21.7 52.0 38 38 A I H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.894 114.7 42.6 -54.7 -48.0 16.9 25.3 51.9 39 39 A V H < S+ 0 0 3 -4,-1.9 237,-0.2 -5,-0.2 -2,-0.2 0.871 119.5 44.8 -68.4 -34.0 16.8 25.5 55.7 40 40 A T H < S+ 0 0 3 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.851 104.3 57.9 -86.0 -35.7 20.0 23.6 56.2 41 41 A F < - 0 0 7 -4,-2.7 3,-0.4 -5,-0.2 -1,-0.1 -0.872 54.8-161.0-114.5 119.2 22.5 25.1 53.6 42 42 A P S S+ 0 0 8 0, 0.0 111,-0.2 0, 0.0 112,-0.1 -0.420 85.3 35.3 -70.7 163.4 23.8 28.6 53.1 43 43 A H S S+ 0 0 54 1,-0.2 110,-2.3 110,-0.1 111,-1.7 0.902 85.1 164.6 56.9 43.4 25.3 29.3 49.7 44 44 A L E +b 154 0B 7 -3,-0.4 28,-0.5 109,-0.2 2,-0.3 -0.852 7.8 169.6-101.0 122.9 22.8 27.0 48.1 45 45 A F E -bc 155 72B 15 109,-2.7 111,-1.8 -2,-0.5 2,-0.4 -0.768 29.1-129.5-122.8 163.7 22.3 27.1 44.4 46 46 A Q E -bc 156 73B 0 26,-2.3 28,-2.9 -2,-0.3 2,-0.4 -0.945 16.3-155.7-107.2 141.5 20.5 25.1 41.7 47 47 A T E + c 0 74B 22 109,-2.4 2,-0.3 -2,-0.4 111,-0.2 -0.958 24.9 164.9-108.2 138.5 22.4 24.0 38.6 48 48 A T - 0 0 19 26,-2.0 28,-0.4 -2,-0.4 -2,-0.0 -0.997 44.6-165.3-150.4 151.4 20.2 23.2 35.5 49 49 A A - 0 0 40 -2,-0.3 40,-0.1 26,-0.1 3,-0.1 0.136 68.1-101.8-108.8 12.8 20.3 22.7 31.8 50 50 A F + 0 0 5 1,-0.2 157,-0.4 38,-0.1 2,-0.1 0.756 68.3 160.9 65.9 28.7 16.5 23.2 31.8 51 51 A G > - 0 0 37 1,-0.1 4,-1.9 155,-0.1 -1,-0.2 -0.371 56.8-101.4 -65.8 158.6 16.0 19.5 31.5 52 52 A L H > S+ 0 0 16 163,-0.3 4,-1.4 1,-0.2 5,-0.1 0.818 120.7 54.0 -57.1 -38.9 12.5 18.4 32.6 53 53 A T H > S+ 0 0 6 105,-0.2 4,-1.7 1,-0.2 3,-0.2 0.929 110.0 46.4 -62.1 -47.3 13.6 17.2 36.0 54 54 A G H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.801 106.6 58.6 -69.4 -29.8 15.3 20.5 36.9 55 55 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.855 103.9 52.6 -64.5 -37.6 12.3 22.5 35.7 56 56 A V H X S+ 0 0 0 -4,-1.4 4,-2.7 -3,-0.2 -2,-0.2 0.946 109.4 49.0 -59.3 -49.9 10.2 20.6 38.2 57 57 A T H X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.2 5,-0.2 0.903 108.6 53.4 -56.7 -45.6 12.7 21.6 41.0 58 58 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.919 112.4 44.6 -54.2 -47.0 12.5 25.3 39.8 59 59 A D H X S+ 0 0 5 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.889 113.3 49.9 -68.1 -40.2 8.8 25.3 40.1 60 60 A M H X S+ 0 0 1 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.900 111.9 48.1 -62.6 -43.5 8.9 23.5 43.5 61 61 A L H X S+ 0 0 0 -4,-3.0 4,-1.3 2,-0.2 -2,-0.2 0.857 108.3 56.1 -63.8 -37.5 11.4 26.0 44.8 62 62 A S H < S+ 0 0 30 -4,-2.0 4,-0.4 -5,-0.2 -2,-0.2 0.897 109.1 45.4 -60.7 -44.0 9.2 28.8 43.4 63 63 A K H >< S+ 0 0 116 -4,-1.9 3,-0.6 1,-0.2 4,-0.3 0.875 116.6 46.1 -67.0 -37.8 6.3 27.5 45.5 64 64 A L H >X S+ 0 0 34 -4,-2.0 4,-2.5 1,-0.2 3,-0.5 0.657 95.6 77.5 -76.8 -17.9 8.5 27.1 48.5 65 65 A S T 3< S+ 0 0 22 -4,-1.3 -1,-0.2 1,-0.2 5,-0.2 0.685 81.7 65.7 -71.7 -20.4 10.1 30.6 48.1 66 66 A E T <4 S+ 0 0 97 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.1 0.905 114.0 31.2 -64.9 -44.0 7.1 32.4 49.5 67 67 A K T <4 S+ 0 0 69 -3,-0.5 -2,-0.2 -4,-0.3 -1,-0.1 0.893 141.4 8.0 -77.1 -45.9 7.8 30.8 52.9 68 68 A Y S < S- 0 0 20 -4,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.579 100.7 -74.2-103.8-114.4 11.6 30.6 52.5 69 69 A Y - 0 0 59 -8,-0.1 -1,-0.2 -5,-0.1 -3,-0.1 -0.943 36.7-103.0-147.3 166.4 13.8 32.1 49.7 70 70 A M - 0 0 12 -2,-0.3 3,-0.1 -5,-0.2 -8,-0.1 -0.866 34.2-136.3 -96.7 109.2 14.5 31.4 46.1 71 71 A P - 0 0 2 0, 0.0 -26,-0.2 0, 0.0 -6,-0.0 -0.399 32.2-105.0 -60.6 136.8 18.0 29.7 45.7 72 72 A E E -c 45 0B 78 -28,-0.5 -26,-2.3 1,-0.1 2,-0.4 -0.222 32.6-123.2 -65.1 155.3 19.8 31.3 42.8 73 73 A L E -c 46 0B 0 30,-0.3 32,-3.0 -28,-0.2 2,-0.5 -0.860 17.1-162.2-108.6 134.9 20.2 29.4 39.5 74 74 A L E -cd 47 105B 2 -28,-2.9 -26,-2.0 -2,-0.4 2,-0.4 -0.966 9.6-179.2-114.5 127.3 23.4 28.5 37.6 75 75 A F E - d 0 106B 2 30,-2.8 32,-2.2 -2,-0.5 2,-0.7 -0.992 19.7-142.4-125.5 129.4 23.3 27.5 34.0 76 76 A I E - d 0 107B 22 -28,-0.4 2,-1.0 -2,-0.4 32,-0.2 -0.827 8.9-154.0 -92.0 116.5 26.4 26.5 32.0 77 77 A D - 0 0 18 30,-2.7 -28,-0.0 -2,-0.7 -2,-0.0 -0.801 9.9-173.9 -89.4 100.8 26.3 27.8 28.4 78 78 A T - 0 0 0 -2,-1.0 -1,-0.1 30,-0.2 30,-0.1 0.528 40.2-123.3 -68.2 -9.1 28.5 25.3 26.5 79 79 A L S S+ 0 0 18 34,-0.1 36,-0.3 1,-0.0 -1,-0.1 0.460 100.8 78.2 72.7 8.1 28.1 27.6 23.5 80 80 A H + 0 0 2 58,-0.1 140,-2.8 34,-0.1 141,-0.4 0.018 63.4 130.0-134.7 22.3 26.7 24.5 21.7 81 81 A H B -G 219 0C 19 138,-0.3 138,-0.2 139,-0.1 -4,-0.0 -0.301 67.6 -99.5 -71.0 160.3 23.2 24.4 23.0 82 82 A F >> - 0 0 21 136,-0.6 4,-1.2 1,-0.1 3,-0.9 -0.635 32.6-123.0 -69.4 139.6 20.0 24.1 20.9 83 83 A P H 3> S+ 0 0 85 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.818 112.3 64.7 -49.8 -34.4 18.5 27.6 20.5 84 84 A Q H 3> S+ 0 0 49 1,-0.2 4,-1.7 2,-0.2 124,-0.2 0.809 97.7 52.7 -62.3 -37.6 15.3 26.1 22.0 85 85 A T H <> S+ 0 0 2 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.875 110.9 48.8 -58.7 -42.3 17.2 25.4 25.3 86 86 A L H X S+ 0 0 58 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.844 109.7 48.9 -72.7 -36.5 18.2 29.1 25.3 87 87 A T H X S+ 0 0 65 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.873 109.1 54.2 -69.6 -36.9 14.8 30.5 24.7 88 88 A L H X S+ 0 0 2 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.905 104.3 56.1 -60.4 -43.6 13.4 28.3 27.4 89 89 A K H X S+ 0 0 34 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.910 107.6 47.4 -49.1 -49.6 16.0 29.9 29.7 90 90 A N H X S+ 0 0 73 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.918 112.3 50.0 -62.1 -44.6 14.6 33.4 28.9 91 91 A E H X S+ 0 0 93 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.863 113.2 46.4 -56.1 -43.7 11.1 32.1 29.5 92 92 A I H X>S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.7 0.887 111.3 50.7 -69.9 -41.4 12.2 30.6 32.9 93 93 A E H X>S+ 0 0 50 -4,-2.9 5,-3.1 3,-0.2 4,-1.4 0.937 113.5 46.4 -60.2 -47.3 14.1 33.8 33.9 94 94 A K H <5S+ 0 0 136 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.917 119.7 38.7 -59.7 -47.7 11.0 35.9 33.1 95 95 A K H <5S+ 0 0 107 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.921 132.4 15.8 -72.9 -46.7 8.6 33.6 34.9 96 96 A Y H <5S+ 0 0 5 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.688 129.6 31.7-108.2 -24.1 10.5 32.5 38.0 97 97 A Y T > S- 0 0 3 0, 0.0 3,-2.1 0, 0.0 29,-0.1 -0.333 71.6 -85.3 -51.3 134.7 33.9 28.5 28.4 110 110 A D T 3 S+ 0 0 93 1,-0.3 3,-0.1 27,-0.2 31,-0.0 -0.145 108.6 0.4 -51.5 127.9 36.8 30.8 29.4 111 111 A G T 3 S+ 0 0 62 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.459 109.4 107.6 74.8 2.6 37.5 33.5 26.8 112 112 A C < + 0 0 5 -3,-2.1 -1,-0.2 1,-0.1 3,-0.1 -0.929 34.3 169.5-116.5 136.7 34.7 32.4 24.5 113 113 A E S S+ 0 0 153 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.427 72.5 26.1-116.5 -4.8 31.4 34.1 23.7 114 114 A S S > S- 0 0 44 1,-0.1 4,-1.9 -36,-0.1 -1,-0.1 -0.955 80.8-104.5-150.8 166.0 30.4 31.9 20.7 115 115 A E H > S+ 0 0 63 -2,-0.3 4,-2.4 -36,-0.3 5,-0.2 0.861 121.8 53.5 -59.2 -40.9 30.8 28.5 19.1 116 116 A A H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.892 106.0 52.5 -64.0 -40.4 33.1 30.1 16.5 117 117 A D H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.925 111.1 48.7 -54.7 -46.7 35.3 31.5 19.3 118 118 A F H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.899 112.2 46.2 -61.6 -45.7 35.5 28.0 20.7 119 119 A A H X S+ 0 0 22 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.828 110.8 54.4 -69.9 -32.5 36.4 26.4 17.4 120 120 A S H < S+ 0 0 107 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.914 114.5 40.8 -62.5 -44.3 39.0 29.2 16.9 121 121 A K H < S+ 0 0 116 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.841 134.6 15.1 -72.3 -36.2 40.6 28.4 20.2 122 122 A Y H < S- 0 0 75 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.378 110.6 -96.6-129.7 0.6 40.5 24.6 20.1 123 123 A G >< - 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0 0 78 -8,-0.1 -1,-0.2 0, 0.0 -3,-0.1 -0.917 35.1 -93.5-155.5 175.6 13.4 7.8 66.1 323 70 B M - 0 0 10 -2,-0.3 2,-0.1 -5,-0.2 3,-0.1 -0.894 33.8-138.2-104.1 111.1 13.6 8.9 69.7 324 71 B P - 0 0 0 0, 0.0 -26,-0.2 0, 0.0 -6,-0.0 -0.434 34.5-102.1 -62.1 139.9 16.7 10.9 70.7 325 72 B E - 0 0 78 -28,-0.5 -26,-2.3 -2,-0.1 2,-0.4 -0.195 33.3-122.2 -67.1 156.1 18.0 9.8 74.1 326 73 B L E -j 299 0E 0 30,-0.3 32,-2.7 -28,-0.2 2,-0.5 -0.853 18.0-161.0-108.1 136.4 17.4 11.7 77.3 327 74 B L E -jk 300 358E 2 -28,-3.0 -26,-2.4 -2,-0.4 2,-0.5 -0.964 7.9-178.0-119.4 126.9 20.0 13.2 79.6 328 75 B F E - k 0 359E 1 30,-2.5 32,-2.4 -2,-0.5 2,-0.8 -0.990 18.2-146.6-125.0 121.9 19.2 14.2 83.2 329 76 B I E - k 0 360E 23 -2,-0.5 2,-0.9 -28,-0.4 32,-0.2 -0.815 11.2-156.2 -88.2 108.8 21.8 15.8 85.5 330 77 B D - 0 0 17 30,-2.5 -28,-0.0 -2,-0.8 -2,-0.0 -0.804 9.0-172.8 -85.2 106.8 21.1 14.6 89.0 331 78 B T - 0 0 8 -2,-0.9 -1,-0.1 30,-0.2 30,-0.1 0.501 41.0-120.6 -75.9 -5.1 22.7 17.3 91.2 332 79 B L S S+ 0 0 14 34,-0.1 36,-0.1 33,-0.0 39,-0.1 0.527 103.2 77.8 69.2 12.7 22.0 15.1 94.3 333 80 B H + 0 0 1 58,-0.1 140,-2.8 2,-0.1 141,-0.4 -0.007 62.9 130.6-137.5 26.6 19.9 18.1 95.5 334 81 B H B -N 472 0F 25 138,-0.2 138,-0.2 1,-0.1 -4,-0.0 -0.376 68.5 -94.6 -76.1 158.7 16.7 17.7 93.5 335 82 B F >> - 0 0 20 136,-0.6 4,-1.3 1,-0.1 3,-1.1 -0.533 36.8-120.7 -64.3 141.3 13.2 17.8 95.0 336 83 B P H 3> S+ 0 0 89 0, 0.0 4,-2.1 0, 0.0 3,-0.4 0.892 113.2 55.2 -53.1 -43.4 12.1 14.2 95.6 337 84 B Q H 3> S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 124,-0.2 0.671 99.2 61.3 -67.8 -18.4 9.1 14.5 93.3 338 85 B T H <> S+ 0 0 0 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.901 109.0 42.9 -67.2 -43.2 11.4 15.6 90.5 339 86 B L H X S+ 0 0 62 -4,-1.3 4,-1.3 -3,-0.4 -2,-0.2 0.844 112.3 53.2 -70.0 -35.3 13.0 12.2 90.9 340 87 B T H X S+ 0 0 76 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.886 109.3 49.4 -63.5 -41.0 9.5 10.6 91.2 341 88 B L H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.873 103.8 59.6 -64.0 -40.5 8.6 12.4 87.9 342 89 B K H X S+ 0 0 38 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.868 105.8 49.4 -54.1 -40.2 11.8 11.0 86.2 343 90 B N H X S+ 0 0 92 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.926 110.1 48.9 -66.6 -47.8 10.5 7.5 87.0 344 91 B E H X S+ 0 0 87 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.891 113.1 48.3 -57.0 -44.2 7.0 8.2 85.5 345 92 B I H X>S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.7 0.937 110.3 50.2 -65.9 -48.3 8.6 9.7 82.3 346 93 B E H X>S+ 0 0 41 -4,-2.3 5,-2.9 1,-0.2 4,-1.5 0.925 114.4 45.5 -51.9 -48.4 11.0 6.8 81.8 347 94 B K H <5S+ 0 0 145 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.885 119.3 40.7 -65.5 -41.3 8.2 4.3 82.2 348 95 B K H <5S+ 0 0 102 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.934 132.2 14.8 -73.7 -48.5 5.8 6.2 79.9 349 96 B Y H <5S+ 0 0 4 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.701 129.1 33.3-105.5 -27.7 8.1 7.3 77.1 350 97 B Y T > S- 0 0 2 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.223 73.8 -81.1 -47.2 141.1 28.7 14.6 90.4 363 110 B D T 3 S+ 0 0 96 27,-0.3 3,-0.1 1,-0.3 31,-0.0 -0.237 112.7 3.0 -55.7 124.8 31.9 12.7 89.9 364 111 B G T 3 S+ 0 0 59 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.621 107.0 115.2 75.4 16.8 32.4 9.9 92.5 365 112 B C < + 0 0 10 -3,-1.9 -1,-0.2 1,-0.1 -4,-0.1 -0.959 35.3 172.3-127.5 140.5 29.1 10.5 94.2 366 113 B E S S+ 0 0 140 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.622 71.8 8.9-112.5 -26.8 26.0 8.3 94.5 367 114 B S S > S- 0 0 51 1,-0.0 4,-1.6 -34,-0.0 3,-0.4 -0.905 81.8 -91.2-151.0 171.8 23.9 10.4 96.9 368 115 B E H > S+ 0 0 68 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.822 122.6 56.3 -58.6 -34.5 23.5 13.7 98.7 369 116 B A H > S+ 0 0 57 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.837 103.7 52.6 -69.2 -35.6 25.5 12.2 101.7 370 117 B D H > S+ 0 0 64 -3,-0.4 4,-0.7 2,-0.2 -1,-0.2 0.910 109.4 50.0 -63.6 -44.2 28.4 11.3 99.5 371 118 B F H >X S+ 0 0 2 -4,-1.6 4,-2.3 1,-0.2 3,-0.9 0.923 110.5 49.0 -58.8 -48.9 28.6 14.9 98.2 372 119 B A H 3X S+ 0 0 14 -4,-2.0 4,-1.0 1,-0.3 -1,-0.2 0.752 109.9 51.8 -64.9 -27.8 28.5 16.4 101.7 373 120 B S H 3< S+ 0 0 111 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.590 113.5 46.2 -83.9 -12.8 31.3 14.0 102.9 374 121 B K H << S+ 0 0 103 -3,-0.9 -2,-0.2 -4,-0.7 -3,-0.1 0.855 132.6 10.1 -91.9 -47.0 33.4 15.1 99.9 375 122 B Y H < S- 0 0 77 -4,-2.3 -3,-0.2 1,-0.3 -2,-0.1 0.338 110.9 -98.5-122.2 2.6 33.1 18.9 100.0 376 123 B G >< - 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