==== 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 01-NOV-06 2NRC . COMPND 2 MOLECULE: SUCCINYL-COA:3-KETOACID-COENZYME A TRANSFERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR S.D.TAMMAM,M.E.FRASER . 1875 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1276 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 275 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 234 12.5 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 . 31 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 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 . 133 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 224 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 257 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.3 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 11 13 4 0 0 10 6 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 5 25 21 0 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 23 19 11 10 0 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 ANTIPARALLEL BRIDGES PER LADDER . 11 4 6 1 2 0 7 0 1 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 55 0, 0.0 2,-0.5 0, 0.0 228,-0.2 0.000 360.0 360.0 360.0 121.3 -6.0 0.6 -5.8 2 2 A K E -a 229 0A 127 226,-2.6 228,-2.3 225,-0.1 2,-0.4 -0.909 360.0-142.9-104.6 127.1 -8.6 -1.7 -7.4 3 3 A F E -a 230 0A 95 -2,-0.5 2,-0.3 226,-0.2 228,-0.2 -0.751 16.4-166.3 -92.9 133.6 -11.0 -3.3 -5.0 4 4 A Y E -a 231 0A 33 226,-3.3 228,-0.7 -2,-0.4 3,-0.1 -0.877 22.3-161.9-119.1 152.2 -12.2 -6.9 -5.6 5 5 A T S S+ 0 0 137 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.645 83.5 54.5-101.1 -21.9 -15.0 -8.9 -4.1 6 6 A D >> - 0 0 67 1,-0.1 4,-1.1 225,-0.0 3,-0.7 -0.963 68.8-151.0-121.0 119.9 -13.7 -12.3 -5.1 7 7 A A H 3> S+ 0 0 2 -2,-0.5 4,-0.6 1,-0.2 3,-0.2 0.819 98.4 55.7 -53.9 -36.1 -10.1 -13.4 -4.2 8 8 A V H >> S+ 0 0 35 1,-0.2 4,-1.5 2,-0.2 3,-0.6 0.836 101.0 56.4 -68.1 -35.1 -9.9 -15.5 -7.4 9 9 A E H <4 S+ 0 0 90 -3,-0.7 -1,-0.2 1,-0.2 4,-0.2 0.827 107.1 51.8 -66.5 -29.5 -10.7 -12.6 -9.7 10 10 A A H 3< S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.622 121.6 28.5 -82.3 -16.7 -7.7 -10.8 -8.2 11 11 A V H X< S+ 0 0 1 -4,-0.6 3,-2.1 -3,-0.6 -2,-0.2 0.384 85.9 105.6-123.4 0.5 -5.2 -13.6 -8.7 12 12 A K T 3< S+ 0 0 126 -4,-1.5 -3,-0.1 1,-0.3 -2,-0.1 0.748 79.2 56.6 -54.3 -26.4 -6.7 -15.3 -11.8 13 13 A D T 3 S+ 0 0 77 -4,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.230 70.8 126.0 -95.1 16.8 -4.0 -13.8 -14.0 14 14 A I < - 0 0 9 -3,-2.1 3,-0.1 1,-0.1 2,-0.1 -0.633 60.3-128.7 -74.4 121.4 -1.0 -15.2 -12.1 15 15 A P > - 0 0 68 0, 0.0 3,-1.9 0, 0.0 2,-0.2 -0.329 20.2 -98.9 -73.1 152.2 1.1 -17.0 -14.7 16 16 A N T 3 S+ 0 0 106 1,-0.3 29,-0.2 27,-0.1 30,-0.1 -0.527 114.6 23.5 -66.2 129.4 2.4 -20.6 -14.4 17 17 A G T 3 S+ 0 0 36 27,-1.8 -1,-0.3 1,-0.3 28,-0.1 0.353 90.8 147.4 94.6 -6.2 6.1 -20.3 -13.2 18 18 A A < - 0 0 4 -3,-1.9 29,-2.2 26,-0.2 2,-0.6 -0.171 53.9-117.1 -62.7 154.5 5.6 -16.8 -11.7 19 19 A T E -b 47 0A 39 27,-0.2 148,-2.3 29,-0.1 149,-1.7 -0.863 36.7-168.6 -93.4 122.2 7.6 -15.8 -8.7 20 20 A V E -bc 48 168A 2 27,-2.7 29,-2.4 -2,-0.6 2,-0.5 -0.963 14.9-147.6-121.4 123.7 5.0 -15.2 -5.9 21 21 A L E -bc 49 169A 0 147,-2.5 149,-4.3 -2,-0.5 2,-0.6 -0.764 15.1-165.2 -88.1 123.3 5.8 -13.5 -2.6 22 22 A V E - c 0 170A 3 27,-2.4 29,-0.5 -2,-0.5 149,-0.2 -0.937 11.0-142.3-114.5 113.3 3.7 -14.9 0.3 23 23 A G + 0 0 0 147,-2.5 167,-0.1 -2,-0.6 2,-0.1 -0.081 48.3 96.5 -64.1 170.7 3.6 -12.9 3.5 24 24 A G - 0 0 3 165,-0.4 27,-0.5 6,-0.2 2,-0.5 -0.080 52.4-137.6 119.8 141.4 3.6 -14.7 6.8 25 25 A F B > S-H 28 0B 6 3,-3.1 3,-2.0 26,-0.1 2,-0.3 -0.959 82.6 -39.7-129.8 107.6 5.8 -15.8 9.7 26 26 A G T 3 S- 0 0 4 -2,-0.5 28,-0.2 1,-0.3 26,-0.2 -0.599 123.1 -34.4 69.8-129.2 4.9 -19.2 10.8 27 27 A L T > S+ 0 0 13 -2,-0.3 3,-0.6 27,-0.1 2,-0.5 0.293 118.4 104.8-106.3 8.8 1.1 -19.1 10.7 28 28 A A B < S+H 25 0B 1 -3,-2.0 -3,-3.1 1,-0.2 283,-0.1 -0.787 89.2 4.3 -92.6 127.8 1.0 -15.5 11.7 29 29 A G T 3 S+ 0 0 3 -2,-0.5 143,-0.4 -5,-0.2 -1,-0.2 0.829 85.4 153.5 71.9 34.7 0.2 -13.1 8.9 30 30 A I < - 0 0 14 -3,-0.6 2,-2.1 -6,-0.1 -1,-0.2 -0.822 49.3-126.8-100.0 135.9 -0.5 -15.6 6.1 31 31 A P > + 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.478 38.6 168.8 -76.8 72.7 -2.8 -14.6 3.2 32 32 A E H > S+ 0 0 27 -2,-2.1 4,-1.9 1,-0.2 5,-0.1 0.766 72.1 49.9 -60.9 -29.4 -5.1 -17.7 3.6 33 33 A N H > S+ 0 0 21 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.896 112.3 46.5 -77.7 -40.0 -7.8 -16.4 1.2 34 34 A L H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.898 113.9 50.3 -68.2 -34.3 -5.3 -15.6 -1.5 35 35 A I H X S+ 0 0 1 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.905 109.4 50.3 -68.1 -39.6 -3.7 -19.0 -1.0 36 36 A G H X S+ 0 0 22 -4,-1.9 4,-1.1 1,-0.2 3,-0.3 0.848 107.8 54.0 -66.1 -32.6 -7.1 -20.7 -1.2 37 37 A A H X S+ 0 0 3 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.822 102.0 57.9 -70.1 -31.2 -7.8 -18.8 -4.4 38 38 A L H X>S+ 0 0 1 -4,-1.4 4,-1.6 1,-0.2 5,-0.5 0.768 101.7 56.7 -69.1 -23.4 -4.5 -20.2 -5.9 39 39 A L H <5S+ 0 0 65 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.872 108.9 45.9 -73.3 -35.8 -5.9 -23.6 -5.2 40 40 A K H <5S+ 0 0 156 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.810 110.5 51.6 -76.5 -32.8 -8.9 -22.9 -7.4 41 41 A T H <5S- 0 0 48 -4,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.902 93.5-146.1 -72.5 -37.6 -6.9 -21.3 -10.2 42 42 A G T <5 + 0 0 35 -4,-1.6 -3,-0.1 1,-0.2 -4,-0.1 0.676 34.4 164.6 81.4 16.3 -4.7 -24.3 -10.4 43 43 A V < - 0 0 8 -5,-0.5 2,-0.3 1,-0.1 -1,-0.2 -0.389 17.2-177.3 -63.8 144.1 -1.7 -22.2 -11.4 44 44 A K + 0 0 95 1,-0.1 -27,-1.8 -3,-0.1 -26,-0.2 -0.816 44.3 52.8-140.8-177.1 1.5 -24.2 -11.0 45 45 A E S S+ 0 0 118 22,-0.3 24,-0.2 -2,-0.3 -1,-0.1 0.808 73.3 170.0 59.3 33.8 5.3 -24.4 -11.1 46 46 A L E - d 0 69A 1 22,-2.3 24,-2.3 -3,-0.2 25,-1.8 -0.400 39.0-138.1 -75.6 149.0 5.4 -21.4 -8.9 47 47 A T E -bd 19 71A 24 -29,-2.2 -27,-2.7 23,-0.2 2,-0.7 -0.948 28.6-157.9-104.9 106.3 8.5 -20.1 -7.2 48 48 A A E -bd 20 72A 2 23,-2.5 25,-2.2 -2,-0.8 2,-0.9 -0.825 10.6-160.8 -97.2 117.1 7.2 -19.2 -3.8 49 49 A V E +bd 21 73A 0 -29,-2.4 -27,-2.4 -2,-0.7 2,-0.3 -0.825 36.2 139.5 -94.9 102.4 9.1 -16.7 -1.8 50 50 A S - 0 0 6 23,-1.3 25,-0.2 -2,-0.9 -27,-0.1 -0.998 57.5-127.5-146.4 142.7 8.0 -17.2 1.8 51 51 A N S S+ 0 0 0 -27,-0.5 25,-2.1 -29,-0.5 24,-1.9 0.913 93.8 7.4 -56.0 -47.4 9.8 -17.2 5.1 52 52 A N S S- 0 0 14 -28,-0.3 25,-0.2 22,-0.2 8,-0.1 -0.656 71.2-119.8-124.9-178.3 8.4 -20.6 6.2 53 53 A A - 0 0 1 23,-0.5 5,-0.2 1,-0.4 8,-0.2 -0.093 44.1-134.7-115.4 32.3 6.3 -23.3 4.5 54 54 A G - 0 0 9 -28,-0.2 -1,-0.4 6,-0.2 2,-0.2 -0.116 45.3 -57.6 47.8-145.3 3.4 -23.1 7.0 55 55 A V B > -I 58 0C 21 3,-2.4 3,-1.4 -3,-0.1 6,-0.3 -0.682 56.1 -88.0-120.6 177.5 2.3 -26.6 8.1 56 56 A D T 3 S+ 0 0 50 23,-0.5 9,-0.2 1,-0.3 24,-0.1 0.848 127.1 29.6 -53.7 -38.1 1.0 -29.6 6.2 57 57 A N T 3 S+ 0 0 93 1,-0.1 2,-0.3 8,-0.0 -1,-0.3 0.032 119.9 47.6-114.8 27.1 -2.6 -28.4 6.3 58 58 A F B X S-I 55 0C 5 -3,-1.4 -3,-2.4 -5,-0.2 3,-0.9 -0.930 98.2 -0.9-166.2 140.8 -2.2 -24.6 6.4 59 59 A G T >> S- 0 0 4 -2,-0.3 3,-1.6 1,-0.2 4,-0.6 -0.578 126.8 -9.8 81.4-142.7 -0.4 -21.8 4.6 60 60 A L H 3> S+ 0 0 4 1,-0.3 4,-1.7 -2,-0.2 -1,-0.2 0.699 122.1 79.9 -63.8 -18.7 2.0 -22.8 1.8 61 61 A G H <> S+ 0 0 0 -3,-0.9 4,-2.2 -6,-0.3 -1,-0.3 0.824 88.1 56.9 -57.9 -29.7 1.6 -26.4 2.8 62 62 A L H <> S+ 0 0 52 -3,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.927 106.1 47.8 -67.7 -43.6 -1.7 -26.4 0.9 63 63 A L H <>S+ 0 0 1 -4,-0.6 5,-3.0 1,-0.2 6,-0.6 0.766 111.0 52.9 -68.2 -23.6 0.1 -25.3 -2.3 64 64 A L H ><5S+ 0 0 0 -4,-1.7 3,-0.9 3,-0.2 -2,-0.2 0.892 107.8 50.1 -76.7 -39.8 2.7 -28.1 -1.6 65 65 A Q H 3<5S+ 0 0 99 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.850 111.6 47.6 -64.6 -36.1 -0.1 -30.7 -1.3 66 66 A S T 3<5S- 0 0 43 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.471 112.0-127.8 -83.5 0.2 -1.6 -29.5 -4.5 67 67 A K T < 5 + 0 0 111 -3,-0.9 -22,-0.3 -5,-0.2 -3,-0.2 0.903 65.7 137.1 53.0 47.2 1.9 -29.7 -6.0 68 68 A Q < + 0 0 6 -5,-3.0 -22,-2.3 -24,-0.2 2,-0.4 0.454 49.4 75.5 -98.9 -4.6 1.7 -26.1 -7.3 69 69 A I E +d 46 0A 7 -6,-0.6 -22,-0.2 -24,-0.2 3,-0.1 -0.928 44.1 174.6-113.4 129.6 5.2 -25.1 -6.2 70 70 A K E S+ 0 0 87 -24,-2.3 23,-3.1 -2,-0.4 2,-0.4 0.769 76.0 24.4 -98.1 -31.3 8.3 -26.1 -8.0 71 71 A R E -de 47 93A 49 -25,-1.8 -23,-2.5 21,-0.2 2,-0.4 -0.994 61.5-161.0-142.1 134.6 10.7 -24.0 -5.9 72 72 A M E -de 48 94A 0 21,-2.9 23,-3.8 -2,-0.4 2,-0.6 -0.899 3.9-163.5-112.0 137.2 10.6 -22.5 -2.4 73 73 A I E +de 49 95A 13 -25,-2.2 -23,-1.3 -2,-0.4 2,-0.3 -0.921 40.7 139.3-119.4 98.6 12.9 -19.6 -1.2 74 74 A S E - e 0 96A 0 21,-1.2 23,-3.2 -2,-0.6 -23,-0.2 -0.920 54.9-142.8-141.6 166.4 12.7 -19.8 2.6 75 75 A S S S+ 0 0 0 -24,-1.9 298,-2.5 1,-0.3 2,-0.3 0.747 92.6 19.8 -99.8 -31.7 14.6 -19.5 5.8 76 76 A Y + 0 0 55 -25,-2.1 -23,-0.5 296,-0.2 -1,-0.3 -0.926 53.2 168.0-146.4 119.4 12.9 -22.2 7.9 77 77 A V + 0 0 3 293,-3.0 3,-0.3 -2,-0.3 294,-0.1 0.021 36.1 127.4-119.6 27.1 10.8 -25.1 6.5 78 78 A G + 0 0 9 292,-0.4 -25,-0.3 1,-0.2 5,-0.1 -0.087 52.6 44.6 -75.8-179.8 10.4 -27.4 9.5 79 79 A E S S+ 0 0 63 1,-0.1 -23,-0.5 -24,-0.1 2,-0.3 0.764 87.4 108.7 55.5 31.0 7.2 -28.8 11.0 80 80 A N > - 0 0 7 -3,-0.3 4,-2.1 -25,-0.2 -1,-0.1 -0.840 43.3-176.9-141.2 101.4 5.9 -29.7 7.5 81 81 A A H > S+ 0 0 60 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.881 86.9 54.3 -62.8 -41.3 5.8 -33.4 6.5 82 82 A E H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.941 110.2 46.4 -59.4 -48.9 4.6 -32.6 2.9 83 83 A F H > S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.918 110.4 55.3 -58.7 -44.4 7.5 -30.3 2.3 84 84 A E H X S+ 0 0 111 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.905 108.7 45.4 -57.3 -46.3 9.9 -32.9 3.8 85 85 A R H X S+ 0 0 110 -4,-2.4 4,-2.2 2,-0.2 6,-0.2 0.945 116.4 43.9 -64.4 -49.8 8.8 -35.7 1.5 86 86 A Q H X>S+ 0 0 5 -4,-2.1 5,-2.5 2,-0.2 6,-1.4 0.906 115.7 47.5 -61.2 -47.0 8.9 -33.6 -1.7 87 87 A Y H ><5S+ 0 0 3 -4,-2.8 3,-0.9 -5,-0.2 48,-0.6 0.940 116.9 43.2 -61.1 -48.6 12.2 -31.9 -0.9 88 88 A L H 3<5S+ 0 0 86 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.789 111.4 54.2 -69.9 -27.6 13.8 -35.2 0.0 89 89 A A H 3<5S- 0 0 36 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.493 115.4-113.2 -85.3 -2.6 12.4 -37.0 -3.0 90 90 A G T <<5S+ 0 0 9 -3,-0.9 -3,-0.2 -4,-0.5 47,-0.1 0.643 88.5 113.7 81.5 15.7 13.8 -34.4 -5.3 91 91 A E < + 0 0 98 -5,-2.5 2,-0.4 -6,-0.2 -4,-0.2 0.771 69.8 49.5 -89.0 -27.9 10.4 -33.2 -6.3 92 92 A L S S- 0 0 0 -6,-1.4 2,-0.3 -9,-0.1 43,-0.3 -0.915 72.2-140.4-118.2 139.4 10.7 -29.7 -4.8 93 93 A E E -e 71 0A 21 -23,-3.1 -21,-2.9 -2,-0.4 2,-0.4 -0.754 22.4-171.3 -94.3 141.3 13.4 -27.1 -5.2 94 94 A V E -e 72 0A 0 39,-2.5 2,-0.9 -2,-0.3 -21,-0.2 -0.967 19.3-161.9-142.0 125.7 14.4 -25.2 -2.0 95 95 A E E -e 73 0A 39 -23,-3.8 -21,-1.2 -2,-0.4 2,-0.7 -0.851 18.2-150.6-104.8 97.0 16.6 -22.2 -1.5 96 96 A L E -e 74 0A 11 -2,-0.9 -21,-0.2 36,-0.2 275,-0.1 -0.568 25.2-179.4 -69.0 110.4 17.4 -22.1 2.2 97 97 A T - 0 0 3 -23,-3.2 276,-0.2 -2,-0.7 5,-0.0 -0.944 33.8-107.4-120.5 134.9 18.0 -18.3 2.8 98 98 A P > - 0 0 1 0, 0.0 4,-2.8 0, 0.0 3,-0.2 -0.323 33.2-126.1 -56.0 135.9 18.9 -16.5 6.0 99 99 A Q H > S+ 0 0 6 274,-2.4 4,-2.5 1,-0.2 5,-0.2 0.908 106.7 47.6 -54.2 -50.4 15.8 -14.7 7.3 100 100 A G H > S+ 0 0 0 273,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.852 114.3 47.5 -62.1 -33.4 17.4 -11.3 7.6 101 101 A T H > S+ 0 0 0 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.900 109.8 52.8 -73.7 -40.1 18.9 -11.6 4.1 102 102 A L H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.920 111.6 47.5 -59.2 -43.2 15.6 -12.8 2.6 103 103 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.867 112.9 46.7 -67.6 -38.2 13.9 -9.7 4.2 104 104 A E H X S+ 0 0 6 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.839 110.0 53.1 -74.2 -32.7 16.6 -7.2 2.9 105 105 A R H X S+ 0 0 23 -4,-2.3 59,-2.8 2,-0.2 4,-1.8 0.864 110.9 47.5 -68.9 -35.9 16.6 -8.6 -0.6 106 106 A I H X S+ 0 0 0 -4,-1.6 4,-1.3 57,-0.2 -2,-0.2 0.900 112.6 48.7 -70.7 -42.4 12.8 -8.2 -0.8 107 107 A R H X S+ 0 0 16 -4,-1.9 4,-1.1 1,-0.2 3,-0.3 0.887 110.0 52.2 -65.8 -37.3 13.0 -4.7 0.5 108 108 A A H <>S+ 0 0 1 -4,-2.3 5,-2.1 1,-0.2 3,-0.4 0.904 104.8 57.6 -64.0 -39.4 15.8 -4.0 -2.0 109 109 A G H <5S+ 0 0 9 -4,-1.8 3,-0.4 55,-0.3 -1,-0.2 0.815 109.8 42.8 -61.1 -32.0 13.5 -5.3 -4.8 110 110 A G H <5S+ 0 0 3 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.670 113.0 53.5 -88.8 -14.6 10.8 -2.8 -3.9 111 111 A A T <5S- 0 0 1 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.274 114.2-106.2-103.1 10.0 13.2 0.1 -3.5 112 112 A G T 5S+ 0 0 22 -4,-0.4 476,-0.3 -3,-0.4 -3,-0.2 0.602 77.6 133.6 78.0 9.0 15.0 -0.1 -6.8 113 113 A V < - 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0 0 13 -3,-0.6 2,-2.0 -5,-0.1 -1,-0.2 -0.755 47.9-128.3 -94.8 136.0 15.4 20.6 12.6 500 31 B P > + 0 0 0 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.471 39.0 166.6 -79.6 70.8 16.9 20.0 16.1 501 32 B E H > S+ 0 0 22 -2,-2.0 4,-2.6 1,-0.2 5,-0.1 0.819 71.5 50.8 -57.0 -38.2 17.3 23.7 17.0 502 33 B N H > S+ 0 0 19 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.878 112.6 46.7 -70.2 -36.4 17.9 23.1 20.7 503 34 B L H > S+ 0 0 0 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.877 112.8 50.1 -71.5 -35.4 20.7 20.6 20.0 504 35 B I H X S+ 0 0 2 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.921 109.9 50.5 -66.3 -41.7 22.1 22.9 17.4 505 36 B G H X S+ 0 0 22 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.838 106.9 56.1 -63.8 -31.0 22.0 25.7 20.0 506 37 B A H X S+ 0 0 2 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.870 105.0 50.5 -68.0 -37.4 23.8 23.3 22.3 507 38 B L H X>S+ 0 0 1 -4,-1.7 4,-1.9 1,-0.2 5,-0.6 0.818 104.1 58.8 -70.4 -29.2 26.6 22.8 19.8 508 39 B L H <5S+ 0 0 19 -4,-1.6 1155,-0.7 1,-0.2 -1,-0.2 0.885 109.4 45.9 -64.0 -37.3 27.0 26.6 19.6 509 40 B K H <5S+ 0 0 147 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.816 110.9 48.9 -75.2 -36.0 27.6 26.6 23.3 510 41 B T H <5S- 0 0 51 -4,-1.7 -2,-0.2 2,-0.1 -1,-0.2 0.844 96.0-140.5 -75.1 -30.6 30.1 23.7 23.4 511 42 B G T <5 + 0 0 29 -4,-1.9 -3,-0.1 1,-0.2 -4,-0.1 0.684 35.3 170.6 79.4 19.0 32.1 25.2 20.6 512 43 B V < - 0 0 8 -5,-0.6 2,-0.2 1,-0.1 -1,-0.2 -0.368 14.1-173.8 -61.8 137.7 32.8 21.8 19.0 513 44 B K + 0 0 105 1,-0.1 -27,-2.8 -2,-0.0 -26,-0.3 -0.749 44.9 44.3-133.8-179.5 34.3 22.3 15.5 514 45 B E S S+ 0 0 108 22,-0.4 24,-0.2 -2,-0.2 -1,-0.1 0.744 74.2 166.4 57.7 28.3 35.6 20.7 12.3 515 46 B L E - l 0 538N 2 22,-2.0 24,-2.6 -3,-0.2 25,-1.9 -0.311 40.5-135.5 -72.5 153.2 32.4 18.6 12.1 516 47 B T E -jl 488 540N 23 -29,-2.5 -27,-2.8 23,-0.2 2,-0.7 -0.942 26.9-158.3-107.9 105.4 31.2 16.7 9.1 517 48 B A E -jl 489 541N 2 23,-2.3 25,-2.2 -2,-0.7 2,-0.9 -0.801 9.7-162.7 -94.2 114.6 27.5 17.6 9.1 518 49 B V E +jl 490 542N 1 -29,-2.9 -27,-3.2 -2,-0.7 2,-0.3 -0.846 35.3 141.4 -94.0 106.8 25.3 15.1 7.2 519 50 B S E -j 491 0N 6 23,-1.7 25,-0.2 -2,-0.9 -27,-0.1 -0.995 58.2-126.7-148.5 140.6 22.1 17.1 6.6 520 51 B N S S+ 0 0 0 -27,-0.5 24,-2.3 -29,-0.5 25,-1.6 0.936 94.7 8.0 -54.2 -48.8 19.8 17.2 3.6 521 52 B N S S- 0 0 11 -28,-0.3 25,-0.2 22,-0.2 21,-0.1 -0.617 72.2-117.6-123.0-176.5 20.0 21.0 3.5 522 53 B A - 0 0 1 1,-0.4 8,-0.6 23,-0.4 11,-0.1 -0.032 46.5-131.1-113.6 27.0 22.0 23.8 5.2 523 54 B G - 0 0 10 6,-0.2 -1,-0.4 -28,-0.2 2,-0.2 -0.166 43.7 -61.9 54.4-152.8 19.1 25.5 6.9 524 55 B V B > -S 527 0P 18 3,-1.5 3,-1.0 -3,-0.1 6,-0.2 -0.612 58.5 -82.7-116.8-179.3 19.0 29.3 6.3 525 56 B D T 3 S+ 0 0 37 23,-0.3 9,-0.2 1,-0.2 8,-0.1 0.867 125.7 22.1 -53.0 -43.0 21.4 32.0 7.3 526 57 B N T 3 S+ 0 0 58 8,-0.0 2,-0.3 5,-0.0 -1,-0.2 0.021 118.8 54.4-120.4 32.2 20.1 32.3 10.9 527 58 B F B X S-S 524 0P 2 -3,-1.0 -3,-1.5 181,-0.0 3,-0.9 -0.985 97.3 -4.9-158.7 150.9 18.4 29.0 11.7 528 59 B G T >> S- 0 0 1 -2,-0.3 3,-1.5 1,-0.2 4,-0.5 -0.331 127.0 -8.3 65.4-143.1 19.2 25.4 11.6 529 60 B L H >> S+ 0 0 5 1,-0.3 3,-2.7 2,-0.2 4,-1.1 0.888 124.7 73.3 -54.4 -43.5 22.6 24.3 10.3 530 61 B G H <> S+ 0 0 0 -3,-0.9 4,-2.5 -8,-0.6 3,-0.4 0.773 89.1 60.9 -42.3 -35.1 23.3 27.9 9.0 531 62 B L H <> S+ 0 0 45 -3,-1.5 4,-1.2 1,-0.3 -1,-0.3 0.849 105.1 47.1 -63.8 -34.6 23.8 28.9 12.6 532 63 B L H <<>S+ 0 0 2 -3,-2.7 5,-2.2 -4,-0.5 6,-0.8 0.625 110.1 54.6 -80.4 -14.3 26.7 26.4 12.8 533 64 B L H ><5S+ 0 0 0 -4,-1.1 3,-1.1 -3,-0.4 -2,-0.2 0.855 105.8 51.2 -83.1 -38.6 27.9 27.8 9.5 534 65 B Q H 3<5S+ 0 0 32 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.1 0.834 112.0 46.8 -65.5 -34.7 28.0 31.3 10.9 535 66 B S T 3<5S- 0 0 18 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.353 110.5-125.7 -89.6 5.8 30.0 30.1 13.9 536 67 B K T < 5 + 0 0 37 -3,-1.1 -22,-0.4 1,-0.1 -3,-0.2 0.779 68.2 133.2 55.6 35.3 32.4 28.2 11.6 537 68 B Q < + 0 0 3 -5,-2.2 -22,-2.0 -24,-0.2 2,-0.5 0.553 51.8 78.3 -89.3 -9.7 31.9 24.9 13.4 538 69 B I E +l 515 0N 1 -6,-0.8 -22,-0.2 -24,-0.2 3,-0.1 -0.864 44.3 170.9-104.7 132.9 31.3 22.9 10.2 539 70 B K E S+ 0 0 74 -24,-2.6 23,-2.6 -2,-0.5 2,-0.4 0.706 73.3 22.0-105.5 -31.3 34.2 21.9 8.0 540 71 B R E -lm 516 562N 59 -25,-1.9 -23,-2.3 21,-0.2 2,-0.3 -0.983 62.8-160.9-146.9 131.0 32.4 19.6 5.7 541 72 B M E -lm 517 563N 0 21,-3.1 23,-2.9 -2,-0.4 2,-0.5 -0.841 5.1-164.0-110.1 144.1 28.7 19.2 4.6 542 73 B I E +lm 518 564N 15 -25,-2.2 -23,-1.7 -2,-0.3 2,-0.3 -0.930 39.8 133.4-128.1 102.5 27.0 16.2 2.9 543 74 B S E - m 0 565N 0 21,-1.3 23,-3.8 -2,-0.5 -23,-0.2 -0.897 55.2-136.2-144.6 173.4 23.7 17.4 1.5 544 75 B S S S+ 0 0 0 -24,-2.3 303,-2.4 1,-0.3 302,-0.4 0.784 91.3 18.1-103.7 -37.5 21.4 17.4 -1.5 545 76 B Y + 0 0 62 -25,-1.6 -23,-0.4 301,-0.2 -1,-0.3 -0.991 52.6 171.3-142.2 130.1 20.3 21.0 -1.8 546 77 B V + 0 0 3 298,-2.8 3,-0.2 -2,-0.4 299,-0.1 0.080 33.6 129.8-127.8 24.0 21.9 24.0 -0.3 547 78 B G + 0 0 7 297,-0.3 -25,-0.3 1,-0.2 -2,-0.1 -0.052 54.0 43.4 -71.4 179.6 20.1 27.0 -1.8 548 79 B E S S+ 0 0 46 1,-0.1 -23,-0.3 -24,-0.1 -1,-0.2 0.845 87.9 101.9 51.0 44.3 18.7 30.0 0.2 549 80 B N > - 0 0 7 -3,-0.2 4,-2.3 -25,-0.2 3,-0.3 -0.627 45.2-176.1-157.6 89.4 21.6 30.3 2.5 550 81 B A H > S+ 0 0 49 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.871 86.3 55.6 -54.5 -45.1 24.1 33.1 1.8 551 82 B E H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 109.5 47.5 -57.5 -42.4 26.5 32.1 4.6 552 83 B F H > S+ 0 0 1 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.941 112.6 49.2 -63.0 -47.8 26.7 28.6 3.1 553 84 B E H X S+ 0 0 16 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.912 111.4 48.8 -58.0 -46.8 27.3 30.0 -0.4 554 85 B R H X S+ 0 0 49 -4,-3.1 4,-1.9 2,-0.2 6,-0.3 0.940 115.4 43.2 -60.7 -50.1 30.0 32.4 0.8 555 86 B Q H X>S+ 0 0 0 -4,-2.3 5,-2.2 -5,-0.2 6,-1.3 0.920 115.9 47.8 -62.5 -46.1 31.9 29.7 2.7 556 87 B Y H ><5S+ 0 0 3 -4,-2.8 48,-0.7 4,-0.2 3,-0.6 0.917 117.7 40.8 -61.0 -47.7 31.5 27.1 0.0 557 88 B L H 3<5S+ 0 0 34 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.750 112.5 56.5 -74.7 -24.0 32.7 29.5 -2.7 558 89 B A H 3<5S- 0 0 28 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.593 114.6-113.5 -83.0 -11.4 35.4 31.0 -0.5 559 90 B G T <<5S+ 0 0 14 -4,-0.8 -3,-0.2 -3,-0.6 -4,-0.1 0.518 90.4 112.3 90.2 6.5 37.0 27.6 0.1 560 91 B E S - 0 0 0 0, 0.0 4,-3.0 0, 0.0 3,-0.4 -0.298 33.8-127.1 -53.9 129.6 21.3 13.0 -4.4 568 99 B Q H > S+ 0 0 5 279,-2.1 4,-2.4 1,-0.2 280,-0.2 0.887 107.3 46.7 -48.3 -47.3 18.7 13.2 -1.7 569 100 B G H > S+ 0 0 0 278,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.868 113.2 48.1 -65.4 -37.3 17.5 9.7 -2.2 570 101 B T H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.901 110.9 52.3 -67.4 -42.2 21.0 8.2 -2.3 571 102 B L H X S+ 0 0 0 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.924 111.4 47.0 -58.3 -46.5 21.8 10.2 0.8 572 103 B A H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.933 112.9 46.8 -64.2 -47.9 18.8 8.7 2.6 573 104 B E H X S+ 0 0 6 -4,-2.5 4,-3.5 1,-0.2 5,-0.2 0.886 111.0 53.2 -64.6 -35.4 19.4 5.1 1.5 574 105 B R H X S+ 0 0 24 -4,-2.6 59,-2.4 2,-0.2 4,-2.1 0.881 110.6 46.1 -67.0 -36.7 23.1 5.4 2.5 575 106 B I H X S+ 0 0 0 -4,-1.8 4,-1.5 57,-0.2 5,-0.2 0.970 114.0 50.4 -66.8 -48.6 22.1 6.6 6.0 576 107 B R H >X S+ 0 0 20 -4,-2.9 4,-1.4 1,-0.2 3,-0.7 0.928 110.1 48.3 -52.9 -51.4 19.5 3.8 6.1 577 108 B A H 3<>S+ 0 0 1 -4,-3.5 5,-2.2 1,-0.2 4,-0.4 0.900 105.0 61.8 -57.9 -39.0 22.2 1.2 5.0 578 109 B G H 3<5S+ 0 0 5 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.846 109.1 40.1 -56.5 -36.1 24.5 2.6 7.7 579 110 B G H <<5S+ 0 0 2 -4,-1.5 -1,-0.3 -3,-0.7 -2,-0.2 0.686 112.7 56.8 -86.8 -17.3 22.0 1.7 10.4 580 111 B A T <5S- 0 0 0 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.272 112.6-109.8 -97.1 10.1 21.1 -1.6 8.9 581 112 B G T 5S+ 0 0 23 -4,-0.4 -462,-0.4 -3,-0.4 -3,-0.2 0.788 74.5 136.3 68.9 23.3 24.6 -3.1 8.7 582 113 B V < - 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