==== 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 TRANSFERASE 04-MAR-03 1OOZ . COMPND 2 MOLECULE: SUCCINYL-COA:3-KETOACID-COENZYME A TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR A.M.COROS,L.SWENSON,W.T.WOLODKO,M.E.FRASER . 925 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 640 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 142 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 111 12.0 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 . 14 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 . 72 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 6 2 4 2 0 4 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 12 10 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 PARALLEL BRIDGES PER LADDER . 12 7 6 4 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 ANTIPARALLEL BRIDGES PER LADDER . 3 2 0 2 1 0 2 0 2 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 T 0 0 52 0, 0.0 2,-0.5 0, 0.0 228,-0.2 0.000 360.0 360.0 360.0 137.4 14.6 -11.8 43.5 2 2 A K E -a 229 0A 127 226,-2.7 228,-2.5 225,-0.1 2,-0.3 -0.909 360.0-143.4-105.6 126.8 13.8 -9.4 46.3 3 3 A F E -a 230 0A 78 -2,-0.5 2,-0.3 226,-0.2 228,-0.2 -0.682 14.9-167.0 -92.3 143.3 10.9 -7.0 45.7 4 4 A Y E -a 231 0A 34 226,-2.7 228,-0.6 -2,-0.3 3,-0.1 -0.922 21.6-163.0-127.9 148.0 11.0 -3.4 47.0 5 5 A T S S+ 0 0 149 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.593 84.2 56.1-103.2 -17.3 8.2 -1.0 47.2 6 6 A D > - 0 0 71 1,-0.1 4,-1.6 227,-0.0 -1,-0.2 -0.946 68.6-153.0-119.4 125.3 10.6 1.9 47.6 7 7 A A H > S+ 0 0 20 -2,-0.5 4,-1.1 1,-0.2 -1,-0.1 0.878 97.1 56.4 -61.2 -38.6 13.2 2.6 45.0 8 8 A V H >> S+ 0 0 34 1,-0.2 4,-1.8 2,-0.2 3,-0.7 0.908 104.6 53.8 -60.6 -39.4 15.6 4.3 47.5 9 9 A E H 34 S+ 0 0 80 1,-0.3 4,-0.3 2,-0.2 3,-0.3 0.927 105.6 54.7 -60.4 -39.4 15.5 1.2 49.6 10 10 A A H 3< S+ 0 0 0 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.753 122.9 24.6 -65.6 -25.2 16.5 -0.8 46.5 11 11 A V H X< S+ 0 0 1 -4,-1.1 3,-1.9 -3,-0.7 -1,-0.2 0.425 85.4 105.8-123.1 3.7 19.6 1.4 45.9 12 12 A K T 3< S+ 0 0 121 -4,-1.8 -2,-0.1 -3,-0.3 -3,-0.1 0.721 77.3 59.4 -59.6 -23.5 20.6 2.9 49.2 13 13 A D T 3 S+ 0 0 79 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.370 70.4 124.5 -88.3 9.3 23.6 0.7 49.8 14 14 A I < - 0 0 10 -3,-1.9 2,-0.1 1,-0.1 3,-0.1 -0.481 61.1-129.8 -68.2 124.9 25.4 1.7 46.6 15 15 A P > - 0 0 66 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.405 19.9 -99.1 -77.5 156.8 28.8 2.9 47.7 16 16 A N T 3 S+ 0 0 82 1,-0.3 29,-0.2 -2,-0.1 3,-0.1 -0.388 116.2 27.4 -59.4 145.6 30.4 6.2 46.7 17 17 A G T 3 S+ 0 0 38 27,-3.0 -1,-0.3 1,-0.2 28,-0.1 0.457 90.5 150.9 78.4 -3.2 32.8 5.3 43.9 18 18 A A < - 0 0 2 -3,-2.2 29,-3.0 26,-0.4 2,-0.7 -0.186 50.4-123.0 -60.7 155.4 30.7 2.3 42.8 19 19 A T E -b 47 0A 36 27,-0.2 148,-2.9 -3,-0.1 149,-1.8 -0.902 36.0-171.6 -98.1 122.1 30.8 1.2 39.2 20 20 A V E -bc 48 168A 1 27,-2.8 29,-2.7 -2,-0.7 2,-0.4 -0.961 18.0-148.2-122.0 124.8 27.2 1.4 38.2 21 21 A L E -bc 49 169A 0 147,-2.7 149,-3.3 -2,-0.5 2,-0.5 -0.768 17.9-165.8 -87.7 130.3 25.8 0.0 34.8 22 22 A V E - c 0 170A 4 27,-3.3 29,-0.5 -2,-0.4 149,-0.2 -0.974 10.8-139.3-123.1 119.1 22.8 2.1 33.7 23 23 A G + 0 0 1 147,-2.6 167,-0.1 -2,-0.5 2,-0.1 -0.052 48.1 88.4 -68.7 173.2 20.6 0.8 31.0 24 24 A G - 0 0 2 165,-0.3 2,-0.5 6,-0.2 27,-0.4 -0.145 55.7-128.3 118.0 146.2 19.1 2.8 28.2 25 25 A F B > S-J 28 0B 6 3,-2.4 3,-2.7 26,-0.1 5,-0.1 -0.985 84.8 -39.5-127.2 118.4 19.8 4.0 24.7 26 26 A G T 3 S- 0 0 3 -2,-0.5 28,-0.2 1,-0.3 26,-0.2 -0.441 124.8 -32.6 58.5-130.6 19.2 7.7 24.5 27 27 A L T > S+ 0 0 14 -3,-0.1 2,-0.7 27,-0.1 3,-0.7 0.274 115.8 111.6-101.2 13.0 16.1 8.1 26.6 28 28 A C B < S-J 25 0B 1 -3,-2.7 -3,-2.4 1,-0.3 283,-0.1 -0.779 89.7 -3.6 -94.0 117.1 14.7 4.7 25.6 29 29 A G T 3 S+ 0 0 3 -2,-0.7 143,-0.5 1,-0.2 -1,-0.3 0.852 88.4 157.8 74.6 35.0 14.7 2.2 28.3 30 30 A I < - 0 0 10 -3,-0.7 2,-2.2 -6,-0.1 -1,-0.2 -0.706 49.6-122.3 -91.8 144.1 16.3 4.4 31.0 31 31 A P > + 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 -0.477 42.4 167.9 -84.2 76.6 15.8 3.5 34.7 32 32 A E H > S+ 0 0 24 -2,-2.2 4,-2.3 1,-0.2 5,-0.1 0.839 71.5 48.6 -63.6 -33.0 14.3 6.9 35.5 33 33 A N H > S+ 0 0 20 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.857 112.0 47.2 -75.6 -37.7 13.0 5.9 38.9 34 34 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.921 113.8 49.5 -68.9 -38.2 16.3 4.3 40.0 35 35 A I H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.945 109.9 50.5 -62.9 -46.0 18.1 7.4 38.8 36 36 A G H X S+ 0 0 20 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.908 108.8 53.4 -57.3 -39.5 15.6 9.5 40.7 37 37 A A H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.915 105.1 53.2 -62.7 -42.9 16.4 7.3 43.7 38 38 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-0.4 0.822 102.3 59.1 -59.3 -31.9 20.2 8.0 43.4 39 39 A L H < S+ 0 0 67 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.921 110.1 44.7 -64.9 -37.0 19.5 11.7 43.4 40 40 A K H < S+ 0 0 154 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.912 112.1 48.5 -73.4 -41.7 17.9 11.2 46.8 41 41 A T H < S- 0 0 47 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.840 93.7-146.1 -68.6 -30.3 20.6 9.0 48.2 42 42 A G < + 0 0 36 -4,-2.1 -3,-0.1 -5,-0.2 -4,-0.1 0.648 30.9 170.0 79.2 11.3 23.3 11.3 47.1 43 43 A V - 0 0 8 -5,-0.4 2,-0.2 1,-0.1 3,-0.2 -0.252 17.3-166.0 -56.2 142.4 25.9 8.6 46.3 44 44 A K + 0 0 110 1,-0.2 -27,-3.0 25,-0.0 -26,-0.4 -0.715 48.0 42.4-131.7-178.3 28.8 10.1 44.5 45 45 A E S S+ 0 0 93 22,-0.4 24,-0.2 -2,-0.2 -1,-0.2 0.804 72.7 173.6 53.2 37.9 31.9 9.6 42.5 46 46 A L E - d 0 69A 2 22,-2.5 25,-2.4 -3,-0.2 24,-2.3 -0.374 36.5-140.5 -75.7 147.0 30.2 6.9 40.5 47 47 A T E -bd 19 71A 24 -29,-3.0 -27,-2.8 23,-0.2 2,-0.6 -0.936 29.3-161.0-100.6 107.8 31.7 5.3 37.5 48 48 A A E -bd 20 72A 2 23,-3.0 25,-2.4 -2,-0.9 2,-0.9 -0.817 12.8-160.5 -96.1 123.0 28.6 5.1 35.3 49 49 A V E +bd 21 73A 0 -29,-2.7 -27,-3.3 -2,-0.6 2,-0.4 -0.864 35.0 147.2-101.2 111.2 28.7 2.7 32.4 50 50 A S - 0 0 7 23,-2.0 25,-0.2 -2,-0.9 -27,-0.1 -0.978 52.7-134.7-150.1 127.6 26.0 4.0 30.3 51 51 A N S S+ 0 0 0 -29,-0.5 24,-2.5 -27,-0.4 25,-2.0 0.909 92.3 11.7 -49.4 -52.2 25.8 3.9 26.5 52 52 A N S S- 0 0 8 -28,-0.3 25,-0.2 22,-0.2 21,-0.1 -0.634 73.6-119.4-117.5-179.2 24.7 7.5 26.4 53 53 A A - 0 0 1 1,-0.5 8,-0.3 23,-0.4 5,-0.2 0.001 45.0-130.8-110.2 27.4 24.5 10.4 28.8 54 54 A G - 0 0 5 6,-0.2 -1,-0.5 -28,-0.2 2,-0.3 -0.368 48.2 -64.0 56.4-137.7 20.7 10.9 28.5 55 55 A V B > -K 58 0C 15 3,-2.1 3,-2.0 -3,-0.1 6,-0.3 -0.824 62.1 -77.5-132.6 178.4 20.0 14.6 27.9 56 56 A D T 3 S+ 0 0 70 23,-0.5 9,-0.3 1,-0.3 8,-0.1 0.898 126.8 23.6 -49.0 -48.6 20.6 17.6 30.2 57 57 A N T 3 S+ 0 0 87 8,-0.1 2,-0.3 6,-0.0 -1,-0.3 0.092 119.6 55.9-111.2 30.5 17.8 17.2 32.5 58 58 A F B X S-K 55 0C 10 -3,-2.0 -3,-2.1 -5,-0.2 3,-1.5 -0.995 94.0 -2.3-159.7 154.1 17.0 13.5 32.2 59 59 A G T >> S- 0 0 0 -2,-0.3 3,-2.3 1,-0.3 4,-0.6 -0.419 131.0 -8.6 65.0-144.0 18.5 10.1 32.4 60 60 A L H >> S+ 0 0 3 1,-0.3 4,-1.9 2,-0.2 3,-0.5 0.763 127.3 74.7 -56.3 -26.8 22.2 10.2 33.3 61 61 A G H <> S+ 0 0 1 -3,-1.5 4,-2.8 -6,-0.3 -1,-0.3 0.846 88.8 60.1 -59.0 -28.5 22.1 13.9 32.8 62 62 A L H <> S+ 0 0 46 -3,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.921 106.9 44.4 -65.8 -39.2 20.3 14.2 36.1 63 63 A L H <<>S+ 0 0 2 -4,-0.6 5,-2.8 -3,-0.5 6,-0.7 0.764 112.6 52.1 -76.6 -25.8 23.3 12.6 37.9 64 64 A L H ><5S+ 0 0 0 -4,-1.9 3,-1.8 3,-0.2 -2,-0.2 0.934 108.0 51.6 -72.0 -44.7 25.7 14.7 36.0 65 65 A Q H 3<5S+ 0 0 110 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.924 112.1 45.5 -57.9 -44.5 23.8 17.8 37.0 66 66 A S T 3<5S- 0 0 50 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.429 113.1-124.4 -77.2 -0.6 24.0 16.7 40.7 67 67 A K T < 5 + 0 0 110 -3,-1.8 -22,-0.4 -5,-0.1 -3,-0.2 0.793 69.0 134.6 64.9 31.2 27.7 15.9 40.2 68 68 A Q < + 0 0 10 -5,-2.8 -22,-2.5 -24,-0.2 2,-0.5 0.519 47.5 84.2 -90.6 0.8 27.3 12.4 41.3 69 69 A I E +d 46 0A 5 -6,-0.7 -22,-0.2 -24,-0.2 3,-0.1 -0.893 43.3 176.2-110.6 125.6 29.3 10.9 38.5 70 70 A K E S+ 0 0 88 -24,-2.3 23,-3.0 -2,-0.5 2,-0.4 0.798 76.9 9.4 -85.7 -41.9 33.1 10.7 38.5 71 71 A R E -de 47 93A 43 -25,-2.4 -23,-3.0 21,-0.2 2,-0.4 -0.997 59.2-154.6-146.3 140.5 33.4 8.9 35.2 72 72 A M E -de 48 94A 0 21,-2.7 23,-2.6 -2,-0.4 2,-0.6 -0.924 2.2-164.6-108.7 141.5 31.2 7.9 32.4 73 73 A I E +de 49 95A 14 -25,-2.4 -23,-2.0 -2,-0.4 2,-0.3 -0.966 40.0 137.3-125.6 106.6 32.0 4.9 30.1 74 74 A S E - e 0 96A 0 21,-1.6 23,-2.2 -2,-0.6 -23,-0.2 -0.862 56.5-136.7-144.6 169.9 29.8 5.5 27.1 75 75 A S S S+ 0 0 0 -24,-2.5 294,-2.9 1,-0.3 2,-0.3 0.659 91.7 19.3-107.3 -19.7 29.8 5.3 23.4 76 76 A Y + 0 0 61 -25,-2.0 -23,-0.4 292,-0.2 -1,-0.3 -0.894 52.5 167.8-157.0 121.5 28.0 8.5 22.6 77 77 A V + 0 0 0 289,-3.7 290,-0.1 -2,-0.3 7,-0.1 0.007 31.2 132.2-126.9 24.2 27.5 11.5 24.7 78 78 A G + 0 0 2 288,-0.4 -25,-0.3 1,-0.2 -2,-0.1 -0.250 50.1 53.2 -72.8 168.0 26.2 14.2 22.5 79 79 A E S S+ 0 0 61 1,-0.1 -23,-0.5 -24,-0.1 2,-0.2 0.909 86.4 96.8 71.9 51.6 23.2 16.4 23.3 80 80 A N > - 0 0 5 -25,-0.2 4,-2.0 -3,-0.1 5,-0.1 -0.623 44.0-175.3-170.3 104.7 24.3 17.6 26.8 81 81 A A H > S+ 0 0 60 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.622 88.3 55.1 -82.5 -14.2 26.0 20.8 27.7 82 82 A E H > S+ 0 0 23 2,-0.2 4,-3.0 3,-0.2 5,-0.2 0.881 109.6 49.8 -82.8 -36.9 26.6 20.1 31.3 83 83 A F H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.973 113.7 45.1 -58.8 -52.2 28.4 16.9 30.3 84 84 A E H X S+ 0 0 73 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.947 113.6 51.1 -56.9 -46.3 30.5 18.8 27.8 85 85 A R H X S+ 0 0 93 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.932 111.2 45.1 -58.6 -50.2 31.1 21.5 30.3 86 86 A Q H X>S+ 0 0 2 -4,-3.0 5,-2.8 2,-0.2 6,-1.5 0.868 112.6 52.9 -63.0 -36.0 32.3 19.1 33.1 87 87 A Y H ><5S+ 0 0 8 -4,-2.6 3,-1.5 -5,-0.2 48,-0.5 0.987 113.3 40.9 -64.8 -57.2 34.5 17.2 30.7 88 88 A L H 3<5S+ 0 0 99 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.854 113.3 56.0 -60.1 -32.3 36.4 20.2 29.4 89 89 A A H 3<5S- 0 0 16 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.620 114.5-117.1 -77.6 -10.6 36.6 21.7 32.9 90 90 A G T <<5S+ 0 0 10 -3,-1.5 47,-0.2 -4,-0.6 -3,-0.2 0.677 85.9 113.8 84.0 16.9 38.2 18.6 34.1 91 91 A E S - 0 0 0 0, 0.0 4,-2.6 0, 0.0 3,-0.2 -0.214 38.3-120.6 -50.8 141.2 32.6 1.8 20.7 99 99 A Q H > S+ 0 0 5 270,-2.9 4,-2.4 1,-0.3 271,-0.2 0.892 111.8 44.1 -53.1 -44.8 28.9 1.0 21.3 100 100 A G H > S+ 0 0 0 269,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.847 112.4 52.6 -72.6 -31.3 29.2 -2.6 20.2 101 101 A T H > S+ 0 0 0 -3,-0.2 4,-3.0 2,-0.2 5,-0.3 0.899 108.7 51.2 -68.9 -36.2 32.4 -3.1 22.2 102 102 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.937 111.1 47.6 -63.5 -45.7 30.6 -1.7 25.3 103 103 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 229,-0.2 0.902 116.1 44.0 -63.2 -41.6 27.7 -4.1 24.8 104 104 A E H X S+ 0 0 4 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.859 111.9 51.8 -73.8 -37.8 30.1 -7.0 24.3 105 105 A R H X S+ 0 0 23 -4,-3.0 59,-2.7 2,-0.2 4,-2.2 0.880 112.4 47.5 -64.9 -40.1 32.4 -6.0 27.2 106 106 A I H X S+ 0 0 0 -4,-2.3 4,-1.1 -5,-0.3 -2,-0.2 0.962 112.8 47.9 -66.0 -46.2 29.4 -5.8 29.4 107 107 A R H >X S+ 0 0 7 -4,-2.3 4,-1.6 1,-0.2 3,-1.4 0.951 110.8 51.6 -57.4 -46.6 28.1 -9.2 28.2 108 108 A A H 3<>S+ 0 0 0 -4,-3.1 5,-2.3 1,-0.3 4,-0.5 0.902 104.8 58.3 -54.4 -44.1 31.6 -10.7 28.8 109 109 A G H 3<5S+ 0 0 9 -4,-2.2 -1,-0.3 55,-0.3 -2,-0.2 0.738 111.6 39.1 -59.1 -26.2 31.5 -9.3 32.2 110 110 A G H <<5S+ 0 0 2 -3,-1.4 -1,-0.2 -4,-1.1 -2,-0.2 0.642 114.7 55.3 -99.7 -10.1 28.3 -11.3 33.0 111 111 A A T <5S- 0 0 1 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.1 0.237 111.7-108.0-104.3 8.4 29.5 -14.4 31.1 112 112 A G T 5S+ 0 0 23 -4,-0.5 473,-0.4 1,-0.2 -3,-0.2 0.736 76.4 132.6 73.4 18.8 32.8 -15.1 32.8 113 113 A V < - 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0 0 10 -3,-0.7 2,-2.1 -6,-0.1 -1,-0.2 -0.686 49.4-121.8 -89.1 147.3 17.9 -32.2 16.7 497 31 B P > + 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.487 42.5 168.1 -86.5 74.7 17.4 -31.5 13.0 498 32 B E H > S+ 0 0 26 -2,-2.1 4,-2.4 1,-0.2 5,-0.1 0.817 71.1 47.9 -58.5 -34.9 16.2 -35.0 12.2 499 33 B N H > S+ 0 0 19 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.871 111.6 48.3 -76.4 -39.0 14.8 -34.1 8.8 500 34 B L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.923 113.6 48.6 -67.8 -40.1 17.9 -32.2 7.6 501 35 B I H X S+ 0 0 1 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.954 109.9 51.9 -61.6 -46.1 20.0 -35.1 8.9 502 36 B G H X S+ 0 0 20 -4,-2.4 4,-1.5 -5,-0.2 3,-0.5 0.942 109.0 52.4 -55.4 -40.0 17.7 -37.5 7.0 503 37 B A H X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.910 104.8 53.2 -66.5 -38.9 18.3 -35.2 3.9 504 38 B L H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 5,-0.4 0.820 102.7 59.6 -63.6 -28.3 22.1 -35.5 4.3 505 39 B L H < S+ 0 0 64 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.914 109.1 44.5 -66.0 -39.5 21.7 -39.3 4.3 506 40 B K H < S+ 0 0 153 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.890 113.2 48.3 -72.2 -38.4 20.1 -38.9 0.9 507 41 B T H < S- 0 0 48 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.844 92.9-147.6 -72.0 -30.3 22.7 -36.5 -0.5 508 42 B G < + 0 0 34 -4,-2.3 -3,-0.1 -5,-0.2 -4,-0.1 0.641 29.5 170.7 77.9 11.8 25.5 -38.6 0.7 509 43 B V - 0 0 7 -5,-0.4 2,-0.2 1,-0.1 3,-0.2 -0.237 17.9-164.8 -55.0 141.3 27.8 -35.6 1.3 510 44 B K + 0 0 111 1,-0.2 -27,-3.0 -3,-0.1 -26,-0.3 -0.723 48.1 40.6-131.7 179.8 30.9 -36.9 3.2 511 45 B E S S+ 0 0 96 22,-0.4 24,-0.2 -2,-0.2 -1,-0.2 0.780 72.6 171.4 55.5 36.4 33.9 -36.1 5.2 512 46 B L E - k 0 535L 2 22,-2.6 24,-2.2 -3,-0.2 25,-2.2 -0.374 37.9-138.5 -75.7 149.3 32.0 -33.6 7.2 513 47 B T E -ik 485 537L 23 -29,-2.9 -27,-2.9 23,-0.2 2,-0.6 -0.937 29.6-160.1-102.5 110.6 33.4 -31.9 10.2 514 48 B A E -ik 486 538L 2 23,-2.8 25,-2.4 -2,-0.8 2,-0.8 -0.820 12.1-159.7 -96.9 121.8 30.3 -31.9 12.3 515 49 B V E +ik 487 539L 0 -29,-3.0 -27,-3.1 -2,-0.6 2,-0.4 -0.898 35.2 148.1-101.2 109.8 30.2 -29.5 15.2 516 50 B S - 0 0 7 23,-2.0 25,-0.2 -2,-0.8 -27,-0.1 -0.979 52.5-135.2-149.5 126.7 27.5 -31.1 17.4 517 51 B N S S+ 0 0 0 -29,-0.5 24,-2.6 -27,-0.4 25,-2.0 0.894 92.3 12.1 -50.4 -45.8 27.3 -30.9 21.1 518 52 B N S S- 0 0 9 -28,-0.3 25,-0.2 22,-0.2 3,-0.1 -0.654 73.8-119.0-123.8 179.1 26.6 -34.7 21.2 519 53 B A - 0 0 1 1,-0.5 8,-0.2 23,-0.5 5,-0.2 -0.078 45.2-130.2-110.4 31.2 26.7 -37.6 18.9 520 54 B G - 0 0 5 -28,-0.2 -1,-0.5 6,-0.2 2,-0.3 -0.296 48.4 -62.2 54.9-142.7 22.9 -38.3 19.1 521 55 B V B > -R 524 0N 20 3,-2.0 3,-1.7 -3,-0.1 6,-0.3 -0.757 61.6 -79.2-126.9 175.2 22.5 -42.1 19.7 522 56 B D T 3 S+ 0 0 58 23,-0.7 9,-0.2 1,-0.3 8,-0.1 0.851 127.0 22.0 -43.8 -44.5 23.5 -45.1 17.6 523 57 B N T 3 S+ 0 0 84 7,-0.1 2,-0.3 8,-0.0 -1,-0.3 0.071 119.5 55.2-117.4 26.3 20.6 -44.9 15.3 524 58 B F B X S-R 521 0N 8 -3,-1.7 -3,-2.0 -5,-0.2 3,-1.5 -0.998 93.7 -0.5-157.9 155.5 19.5 -41.3 15.5 525 59 B G T >> S- 0 0 1 -2,-0.3 3,-2.0 1,-0.3 4,-0.6 -0.416 130.6 -7.9 66.6-142.3 20.6 -37.8 15.2 526 60 B L H >> S+ 0 0 3 1,-0.3 4,-1.5 2,-0.2 3,-0.8 0.773 127.6 73.5 -57.7 -29.4 24.2 -37.5 14.4 527 61 B G H <> S+ 0 0 0 -3,-1.5 4,-2.8 -6,-0.3 -1,-0.3 0.826 88.4 60.5 -58.1 -30.9 24.6 -41.2 14.9 528 62 B L H <> S+ 0 0 46 -3,-2.0 4,-2.0 1,-0.2 -1,-0.3 0.909 106.5 46.3 -61.8 -37.5 22.8 -41.7 11.6 529 63 B L H <<>S+ 0 0 2 -3,-0.8 5,-2.5 -4,-0.6 6,-0.7 0.760 111.0 52.1 -76.6 -25.0 25.6 -39.8 9.8 530 64 B L H ><5S+ 0 0 0 -4,-1.5 3,-1.7 3,-0.2 -2,-0.2 0.913 107.6 52.4 -73.7 -43.5 28.2 -41.7 11.7 531 65 B Q H 3<5S+ 0 0 89 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.1 0.919 111.5 45.8 -56.9 -43.2 26.6 -45.0 10.6 532 66 B S T 3<5S- 0 0 50 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.432 112.7-125.1 -80.0 -0.1 26.7 -43.9 7.0 533 67 B K T < 5 + 0 0 107 -3,-1.7 -22,-0.4 -5,-0.1 -3,-0.2 0.808 67.8 134.9 62.8 34.8 30.3 -42.8 7.5 534 68 B Q < + 0 0 10 -5,-2.5 -22,-2.6 -24,-0.2 2,-0.5 0.479 48.1 83.0 -92.8 -1.2 29.6 -39.3 6.3 535 69 B I E +k 512 0L 6 -6,-0.7 -22,-0.2 -24,-0.2 3,-0.1 -0.895 43.7 176.1-111.1 125.3 31.5 -37.6 9.2 536 70 B K E S+ 0 0 90 -24,-2.2 23,-3.0 -2,-0.5 2,-0.4 0.809 76.1 9.8 -86.0 -42.1 35.3 -37.2 9.1 537 71 B R E -kl 513 559L 45 -25,-2.2 -23,-2.8 21,-0.2 2,-0.4 -0.996 59.2-155.9-145.1 142.2 35.4 -35.3 12.4 538 72 B M E -kl 514 560L 0 21,-2.6 23,-2.9 -2,-0.4 2,-0.5 -0.939 2.0-163.2-115.7 141.6 33.2 -34.4 15.3 539 73 B I E +kl 515 561L 16 -25,-2.4 -23,-2.0 -2,-0.4 2,-0.3 -0.972 40.7 138.5-121.7 108.4 33.7 -31.4 17.6 540 74 B S E - l 0 562L 0 21,-1.6 23,-2.3 -2,-0.5 -23,-0.2 -0.863 55.5-137.4-147.0 169.2 31.5 -32.2 20.6 541 75 B S S S+ 0 0 0 -24,-2.6 293,-2.8 1,-0.3 2,-0.3 0.640 91.2 19.0-109.8 -20.9 31.5 -32.0 24.2 542 76 B Y + 0 0 60 -25,-2.0 -23,-0.5 291,-0.2 -1,-0.3 -0.890 51.7 169.6-155.6 121.3 29.9 -35.4 25.1 543 77 B V + 0 0 2 288,-3.6 3,-0.3 -2,-0.3 289,-0.1 0.014 33.8 129.8-124.8 27.6 29.7 -38.4 22.9 544 78 B G + 0 0 2 287,-0.3 -25,-0.3 1,-0.2 -2,-0.1 -0.144 53.8 48.6 -74.1 175.7 28.5 -41.2 25.2 545 79 B E S S+ 0 0 66 1,-0.1 -23,-0.7 -24,-0.1 2,-0.2 0.809 89.0 97.9 61.7 32.9 25.6 -43.5 24.4 546 80 B N > + 0 0 3 -3,-0.3 4,-1.7 -25,-0.2 5,-0.1 -0.675 43.5 179.3-154.2 95.5 26.8 -44.2 20.9 547 81 B A H > S+ 0 0 59 2,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.833 84.5 57.9 -66.3 -35.7 28.8 -47.5 20.2 548 82 B E H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.954 107.4 50.7 -63.3 -39.0 29.2 -46.9 16.5 549 83 B F H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.952 110.5 47.6 -57.4 -51.6 31.0 -43.6 17.4 550 84 B E H X S+ 0 0 86 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.930 111.0 52.0 -55.6 -48.7 33.3 -45.3 19.9 551 85 B R H X S+ 0 0 101 -4,-2.7 4,-2.3 1,-0.2 6,-0.2 0.938 111.3 45.6 -55.9 -52.1 34.1 -48.0 17.4 552 86 B Q H X>S+ 0 0 3 -4,-2.6 5,-2.6 -5,-0.2 6,-1.4 0.892 112.3 52.3 -60.7 -38.1 35.1 -45.6 14.7 553 87 B Y H ><5S+ 0 0 42 -4,-2.5 3,-1.1 -5,-0.3 48,-0.5 0.972 113.4 41.2 -63.0 -53.8 37.1 -43.4 17.0 554 88 B L H 3<5S+ 0 0 94 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.864 112.8 55.4 -63.5 -34.6 39.2 -46.3 18.4 555 89 B A H 3<5S- 0 0 15 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.609 115.1-116.7 -75.2 -9.7 39.6 -47.8 14.9 556 90 B G T <<5S+ 0 0 9 -3,-1.1 -3,-0.2 -4,-0.7 47,-0.2 0.657 85.6 115.5 83.0 16.3 41.0 -44.5 13.6 557 91 B E S - 0 0 0 0, 0.0 4,-2.7 0, 0.0 3,-0.3 -0.261 37.7-122.3 -52.7 140.5 33.9 -28.3 27.0 565 99 B Q H > S+ 0 0 4 269,-2.4 4,-2.3 1,-0.3 270,-0.2 0.853 111.3 46.0 -53.6 -45.3 30.2 -27.7 26.3 566 100 B G H > S+ 0 0 0 268,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.855 113.2 50.4 -69.1 -32.3 30.2 -24.1 27.4 567 101 B T H > S+ 0 0 0 -3,-0.3 4,-3.0 2,-0.2 5,-0.3 0.882 108.7 51.9 -71.7 -37.6 33.3 -23.4 25.4 568 102 B L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.933 111.9 47.7 -62.7 -43.2 31.7 -25.1 22.4 569 103 B A H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 229,-0.2 0.930 115.2 43.6 -63.5 -45.4 28.7 -22.8 22.8 570 104 B E H X S+ 0 0 4 -4,-2.3 4,-3.3 2,-0.2 -1,-0.2 0.862 111.7 52.7 -70.7 -37.1 30.7 -19.7 23.3 571 105 B R H X S+ 0 0 23 -4,-3.0 59,-2.3 2,-0.2 4,-2.3 0.914 112.6 47.1 -66.7 -37.8 33.1 -20.5 20.4 572 106 B I H X S+ 0 0 0 -4,-2.4 4,-1.2 -5,-0.3 -2,-0.2 0.962 113.1 47.6 -67.0 -45.6 30.0 -20.9 18.2 573 107 B R H >X S+ 0 0 7 -4,-2.8 4,-1.4 1,-0.2 3,-1.0 0.942 110.7 51.1 -58.1 -47.4 28.5 -17.7 19.4 574 108 B A H 3<>S+ 0 0 1 -4,-3.3 5,-2.3 1,-0.3 4,-0.4 0.890 104.9 59.8 -54.7 -42.0 31.9 -15.9 18.9 575 109 B G H 3<5S+ 0 0 8 -4,-2.3 3,-0.3 55,-0.3 -1,-0.3 0.785 111.2 38.5 -59.6 -28.9 31.8 -17.3 15.4 576 110 B G H <<5S+ 0 0 2 -4,-1.2 -1,-0.2 -3,-1.0 -236,-0.2 0.648 114.3 55.8 -97.0 -9.6 28.6 -15.6 14.6 577 111 B A T <5S- 0 0 0 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.256 111.8-106.6-105.0 9.7 29.4 -12.4 16.5 578 112 B G T 5S+ 0 0 22 -4,-0.4 -459,-0.4 -3,-0.3 -3,-0.2 0.732 77.0 132.5 74.3 19.2 32.6 -11.4 14.8 579 113 B V < - 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