==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-OCT-09 3K6M . COMPND 2 MOLECULE: SUCCINYL-COA:3-KETOACID-COENZYME A TRANSFERASE 1, . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR S.COKER,A.LLOYD,E.MITCHELL,G.R.LEWIS,P.SHOOLINGIN-JORDAN,A.R . 1854 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 68288.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1230 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 288 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 225 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 30 1.6 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 . 101 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 228 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 12 10 4 1 4 8 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 5 20 23 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 25 16 11 8 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 ANTIPARALLEL BRIDGES PER LADDER . 7 3 0 4 2 0 3 0 5 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 54 0, 0.0 2,-0.5 0, 0.0 228,-0.2 0.000 360.0 360.0 360.0 133.6 -0.8 57.0 48.2 2 2 A K E -a 229 0A 121 226,-2.3 228,-2.7 225,-0.1 2,-0.3 -0.880 360.0-144.3 -99.3 126.7 -3.2 59.9 47.8 3 3 A F E -a 230 0A 80 -2,-0.5 2,-0.3 226,-0.2 228,-0.2 -0.736 14.5-166.9 -95.7 141.8 -2.4 62.2 45.0 4 4 A Y E -a 231 0A 35 226,-2.5 228,-0.6 -2,-0.3 3,-0.1 -0.903 22.5-159.9-123.8 148.6 -3.0 66.0 45.2 5 5 A T S S+ 0 0 155 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.530 84.7 53.9-100.3 -8.7 -3.0 68.7 42.5 6 6 A D > - 0 0 74 1,-0.1 4,-1.2 227,-0.0 -1,-0.2 -0.989 67.5-151.6-130.6 124.9 -2.4 71.5 45.0 7 7 A A H > S+ 0 0 8 -2,-0.4 4,-0.7 1,-0.2 -1,-0.1 0.829 98.1 57.0 -61.3 -37.1 0.4 71.6 47.6 8 8 A V H >> S+ 0 0 40 1,-0.2 3,-1.3 2,-0.2 4,-0.9 0.938 104.6 52.0 -63.1 -42.2 -1.6 73.7 50.1 9 9 A E H 34 S+ 0 0 86 1,-0.3 3,-0.3 2,-0.2 4,-0.2 0.827 105.8 56.7 -57.8 -34.4 -4.4 71.0 50.1 10 10 A A H 3< S+ 0 0 0 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.683 120.5 27.4 -71.4 -19.5 -1.7 68.4 50.9 11 11 A V H X< S+ 0 0 1 -3,-1.3 3,-1.6 -4,-0.7 -2,-0.2 0.277 84.7 109.2-127.2 9.3 -0.6 70.3 54.0 12 12 A K T 3< S+ 0 0 130 -4,-0.9 -3,-0.1 -3,-0.3 -2,-0.1 0.724 76.5 56.8 -66.0 -23.0 -3.7 72.2 55.1 13 13 A D T 3 S+ 0 0 78 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.360 70.1 121.4 -95.7 6.9 -4.2 70.0 58.2 14 14 A I < - 0 0 11 -3,-1.6 2,-0.2 1,-0.0 3,-0.1 -0.584 57.9-140.7 -67.4 122.1 -0.8 70.6 59.9 15 15 A P > - 0 0 71 0, 0.0 3,-1.8 0, 0.0 -2,-0.1 -0.512 23.0 -90.4 -85.4 156.3 -1.6 72.0 63.3 16 16 A N T 3 S+ 0 0 101 1,-0.2 29,-0.2 -2,-0.2 30,-0.1 -0.338 114.9 28.7 -57.0 144.5 0.2 74.7 65.1 17 17 A G T 3 S+ 0 0 41 27,-2.4 -1,-0.2 1,-0.2 28,-0.1 0.344 87.7 149.7 84.8 -4.4 3.0 73.2 67.3 18 18 A A < - 0 0 3 -3,-1.8 29,-2.6 26,-0.3 2,-0.5 -0.167 49.9-124.3 -58.6 152.1 3.5 70.2 65.1 19 19 A T E -b 47 0A 39 27,-0.2 148,-2.4 29,-0.1 149,-1.6 -0.909 34.7-172.0 -95.0 123.9 6.8 68.5 64.7 20 20 A V E -bc 48 168A 2 27,-2.8 29,-2.6 -2,-0.5 2,-0.4 -0.984 18.6-147.0-127.4 124.2 7.7 68.5 61.0 21 21 A L E -bc 49 169A 0 147,-2.5 149,-3.0 -2,-0.4 2,-0.5 -0.757 19.4-163.4 -84.9 131.5 10.6 66.6 59.4 22 22 A V E - c 0 170A 4 27,-3.0 29,-0.4 -2,-0.4 149,-0.2 -0.977 10.2-135.0-126.1 119.4 11.9 68.6 56.4 23 23 A G + 0 0 1 147,-2.6 167,-0.1 -2,-0.5 2,-0.1 -0.107 49.6 80.1 -60.8 161.6 14.2 67.1 53.7 24 24 A G - 0 0 2 165,-0.3 27,-0.5 6,-0.2 2,-0.5 -0.158 56.7-124.3 121.8 154.8 17.3 68.6 52.2 25 25 A F B > S-J 28 0B 2 3,-2.5 3,-2.4 26,-0.1 2,-0.2 -0.975 84.7 -45.1-132.9 110.4 21.0 69.2 52.6 26 26 A G T 3 S- 0 0 4 -2,-0.5 28,-0.3 1,-0.3 26,-0.2 -0.478 123.7 -29.3 55.4-126.3 21.6 72.9 52.3 27 27 A L T > S+ 0 0 21 -2,-0.2 3,-0.7 27,-0.1 2,-0.6 0.345 116.4 109.5 -95.4 9.8 19.5 73.9 49.2 28 28 A C B < S-J 25 0B 2 -3,-2.4 -3,-2.5 1,-0.2 281,-0.1 -0.742 90.8 -3.4 -93.1 117.3 19.9 70.4 47.7 29 29 A G T 3 S+ 0 0 3 -2,-0.6 143,-0.5 1,-0.2 -1,-0.2 0.819 89.2 158.5 72.3 34.4 16.8 68.2 47.8 30 30 A I < - 0 0 11 -3,-0.7 2,-1.9 -5,-0.1 -1,-0.2 -0.684 49.5-122.8 -89.4 141.6 14.6 70.8 49.6 31 31 A P > + 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.496 42.3 167.3 -80.0 74.2 10.8 70.6 49.4 32 32 A E H > S+ 0 0 31 -2,-1.9 4,-1.8 1,-0.2 5,-0.1 0.793 71.3 49.0 -65.8 -33.1 10.5 74.2 48.1 33 33 A N H > S+ 0 0 9 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.876 112.5 47.0 -73.2 -40.1 6.8 73.9 47.0 34 34 A L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.892 111.6 51.5 -68.7 -38.2 5.7 72.4 50.4 35 35 A I H X S+ 0 0 2 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.913 109.9 50.8 -60.2 -42.5 7.7 75.1 52.2 36 36 A G H X S+ 0 0 17 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.884 107.2 53.6 -61.3 -37.8 5.8 77.6 50.0 37 37 A A H X S+ 0 0 1 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.870 106.1 51.9 -67.1 -38.4 2.5 76.0 51.0 38 38 A L H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 5,-0.5 0.844 104.4 57.4 -67.0 -31.1 3.3 76.4 54.7 39 39 A L H < S+ 0 0 65 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.919 109.4 46.7 -62.1 -37.9 4.1 80.1 54.0 40 40 A K H < S+ 0 0 143 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.873 113.3 46.0 -74.1 -37.4 0.5 80.3 52.7 41 41 A T H < S- 0 0 54 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.816 93.9-144.7 -75.8 -29.9 -1.1 78.4 55.6 42 42 A G < + 0 0 36 -4,-2.3 -3,-0.1 1,-0.2 -4,-0.1 0.571 29.8 174.8 80.2 12.1 0.8 80.4 58.2 43 43 A V - 0 0 8 -5,-0.5 2,-0.2 1,-0.1 -1,-0.2 -0.176 14.1-171.2 -54.9 139.5 1.1 77.3 60.5 44 44 A K + 0 0 116 1,-0.2 -27,-2.4 25,-0.0 -26,-0.3 -0.717 46.6 46.6-136.6 177.0 3.3 78.3 63.5 45 45 A E S S+ 0 0 84 22,-0.4 24,-0.2 -2,-0.2 -1,-0.2 0.769 75.9 170.9 60.3 33.7 5.2 77.3 66.6 46 46 A L E - d 0 69A 3 22,-2.3 24,-2.1 -3,-0.2 25,-2.0 -0.381 38.9-141.6 -73.8 148.8 6.6 74.4 64.6 47 47 A T E -bd 19 71A 28 -29,-2.6 -27,-2.8 23,-0.2 2,-0.6 -0.961 27.4-161.5-101.2 114.9 9.4 72.1 65.7 48 48 A A E -bd 20 72A 3 23,-2.7 25,-2.6 -2,-0.7 2,-0.7 -0.869 11.2-162.1-105.2 119.1 11.3 71.7 62.5 49 49 A V E +bd 21 73A 1 -29,-2.6 -27,-3.0 -2,-0.6 2,-0.3 -0.910 36.6 136.9-100.1 111.7 13.7 68.7 62.2 50 50 A S - 0 0 7 23,-2.2 25,-0.2 -2,-0.7 -27,-0.1 -0.965 60.5-123.9-158.6 138.8 16.0 69.5 59.3 51 51 A N S S- 0 0 0 -27,-0.5 24,-2.0 -29,-0.4 25,-1.9 0.895 95.3 -4.9 -53.6 -46.7 19.7 69.2 58.8 52 52 A N - 0 0 7 -28,-0.3 25,-0.2 22,-0.2 21,-0.1 -0.656 68.7-118.7-127.5-175.7 20.2 72.9 58.0 53 53 A A - 0 0 0 1,-0.5 8,-0.2 24,-0.4 5,-0.2 -0.254 47.3-119.5-124.9 49.2 17.8 75.8 57.5 54 54 A G - 0 0 6 -28,-0.3 -1,-0.5 6,-0.2 2,-0.3 -0.271 55.8 -50.1 56.9-134.8 18.6 76.7 53.9 55 55 A V B > -K 58 0C 27 3,-1.7 3,-1.5 -3,-0.1 25,-0.2 -0.772 64.9 -84.3-126.2 177.0 19.9 80.2 53.5 56 56 A D T 3 S+ 0 0 41 23,-0.6 9,-0.2 1,-0.3 8,-0.1 0.859 126.3 26.7 -52.1 -42.9 18.5 83.5 54.8 57 57 A N T 3 S+ 0 0 110 8,-0.0 2,-0.3 5,-0.0 -1,-0.3 0.089 119.3 48.9-116.3 23.3 16.1 83.9 51.9 58 58 A F B X S+K 55 0C 12 -3,-1.5 -3,-1.7 -5,-0.2 3,-1.1 -0.994 93.2 6.2-158.2 160.5 15.4 80.4 50.7 59 59 A G T > S- 0 0 2 -2,-0.3 3,-2.1 1,-0.3 4,-0.4 -0.341 127.3 -13.9 66.2-147.0 14.4 76.9 51.9 60 60 A L T >> S+ 0 0 5 1,-0.3 3,-1.2 2,-0.2 4,-1.1 0.742 125.3 78.9 -59.9 -23.6 13.5 76.6 55.5 61 61 A G H <> S+ 0 0 0 -3,-1.1 4,-2.6 1,-0.3 -1,-0.3 0.826 84.0 64.1 -51.7 -32.9 15.0 80.0 56.1 62 62 A L H <> S+ 0 0 48 -3,-2.1 4,-1.7 1,-0.2 -1,-0.3 0.869 100.4 50.1 -60.0 -38.1 11.8 81.4 54.7 63 63 A L H <4>S+ 0 0 3 -3,-1.2 5,-2.2 -4,-0.4 6,-0.8 0.698 108.7 51.6 -77.5 -21.5 9.9 79.9 57.7 64 64 A L H ><5S+ 0 0 0 -4,-1.1 3,-1.7 -3,-0.2 -2,-0.2 0.914 108.5 52.2 -71.0 -45.6 12.4 81.5 60.1 65 65 A Q H 3<5S+ 0 0 79 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.893 111.9 46.4 -54.6 -40.2 11.8 84.9 58.3 66 66 A S T 3<5S- 0 0 50 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.437 110.7-125.5 -85.1 1.7 8.1 84.4 58.8 67 67 A K T < 5 + 0 0 126 -3,-1.7 -22,-0.4 -5,-0.1 -3,-0.2 0.783 69.4 132.2 58.6 35.3 8.6 83.4 62.5 68 68 A Q < + 0 0 11 -5,-2.2 -22,-2.3 -24,-0.2 2,-0.5 0.606 50.8 77.0 -91.7 -9.9 6.7 80.1 62.0 69 69 A I E +d 46 0A 9 -6,-0.8 -22,-0.2 -24,-0.2 3,-0.1 -0.905 46.5 177.3-109.8 128.2 9.3 77.9 63.7 70 70 A K E S+ 0 0 91 -24,-2.1 23,-2.2 -2,-0.5 2,-0.4 0.844 75.1 17.7 -87.3 -43.4 9.7 77.7 67.5 71 71 A R E -de 47 93A 51 -25,-2.0 -23,-2.7 21,-0.2 2,-0.4 -0.999 61.3-156.3-138.0 135.5 12.5 75.1 67.6 72 72 A M E -de 48 94A 0 21,-2.6 23,-2.8 -2,-0.4 2,-0.5 -0.905 1.8-163.3-102.4 136.2 15.0 73.8 65.0 73 73 A I E +de 49 95A 15 -25,-2.6 -23,-2.2 -2,-0.4 2,-0.3 -0.969 41.6 137.7-118.1 108.8 16.6 70.3 65.5 74 74 A S E - e 0 96A 0 21,-1.5 23,-3.0 -2,-0.5 -23,-0.2 -0.923 57.3-136.5-151.7 160.9 19.6 70.5 63.1 75 75 A S S S+ 0 0 0 -24,-2.0 296,-2.9 1,-0.3 2,-0.3 0.716 87.1 15.5-100.4 -26.2 23.2 69.7 62.7 76 76 A Y - 0 0 73 -25,-1.9 -23,-0.3 294,-0.2 -1,-0.3 -0.930 46.8-156.7-156.7 128.1 24.6 72.9 61.1 77 77 A V + 0 0 2 291,-3.1 -24,-0.4 -2,-0.3 3,-0.1 0.822 39.8 172.7 -70.8 -35.5 23.4 76.5 60.8 78 78 A G - 0 0 10 290,-0.3 2,-1.3 1,-0.2 -1,-0.2 -0.237 58.9 -12.8 64.4-145.9 25.7 77.1 57.7 79 79 A E S S+ 0 0 123 -25,-0.1 -23,-0.6 1,-0.1 2,-0.4 -0.417 98.1 114.9 -92.5 61.0 25.4 80.3 55.8 80 80 A N > - 0 0 0 -2,-1.3 4,-2.2 -25,-0.2 5,-0.2 -0.877 38.3-178.5-127.0 95.8 22.1 81.5 57.2 81 81 A A H > S+ 0 0 55 -2,-0.4 4,-2.3 1,-0.2 -1,-0.1 0.812 83.0 54.1 -65.5 -30.4 22.8 84.7 59.2 82 82 A E H > S+ 0 0 31 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.886 107.4 49.6 -73.1 -40.7 19.1 85.0 60.3 83 83 A F H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.956 115.0 45.8 -52.6 -56.9 19.1 81.4 61.7 84 84 A E H X S+ 0 0 49 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.894 114.4 48.9 -56.1 -42.4 22.3 82.3 63.6 85 85 A R H X S+ 0 0 95 -4,-2.3 4,-2.3 1,-0.2 6,-0.2 0.938 109.3 49.2 -66.7 -48.7 20.9 85.7 64.7 86 86 A Q H <>S+ 0 0 5 -4,-2.8 5,-2.0 2,-0.2 6,-1.8 0.825 114.0 48.0 -60.4 -35.3 17.5 84.4 66.0 87 87 A Y H ><5S+ 0 0 0 -4,-1.8 3,-1.2 4,-0.2 48,-0.6 0.954 113.3 44.7 -70.7 -53.7 19.4 81.7 68.0 88 88 A L H 3<5S+ 0 0 59 -4,-2.4 51,-0.2 1,-0.2 -2,-0.2 0.835 112.7 54.3 -60.1 -32.2 22.0 84.1 69.6 89 89 A A T 3<5S- 0 0 34 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.584 114.7-114.0 -79.9 -11.1 19.2 86.6 70.3 90 90 A G T < 5S+ 0 0 14 -3,-1.2 -3,-0.2 -4,-0.4 47,-0.1 0.570 88.3 110.7 87.8 11.0 17.1 84.1 72.3 91 91 A E S - 0 0 1 0, 0.0 4,-2.8 0, 0.0 274,-0.2 -0.261 33.7-124.3 -54.7 137.1 25.4 65.6 65.4 99 99 A Q H > S+ 0 0 6 272,-2.6 4,-2.4 1,-0.2 273,-0.2 0.876 108.3 45.8 -58.4 -39.9 24.5 64.9 61.8 100 100 A G H > S+ 0 0 0 271,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.880 113.5 50.4 -73.4 -33.3 24.9 61.1 61.9 101 101 A T H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.905 109.1 52.0 -64.2 -42.5 22.9 61.0 65.1 102 102 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.952 112.4 45.8 -55.5 -54.2 20.2 63.1 63.5 103 103 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.914 116.1 44.6 -59.3 -42.4 20.1 60.7 60.6 104 104 A E H X S+ 0 0 5 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.845 110.0 53.8 -74.8 -34.8 20.1 57.5 62.8 105 105 A R H X S+ 0 0 25 -4,-2.7 59,-2.2 2,-0.2 4,-1.8 0.901 111.8 46.9 -67.1 -37.5 17.5 58.8 65.3 106 106 A I H X S+ 0 0 0 -4,-2.1 4,-0.9 -5,-0.3 -2,-0.2 0.948 111.5 49.9 -67.6 -46.5 15.2 59.5 62.3 107 107 A R H >X S+ 0 0 14 -4,-2.4 3,-1.3 1,-0.2 4,-1.0 0.938 109.6 52.5 -55.1 -45.4 15.8 56.1 60.8 108 108 A A H ><>S+ 0 0 1 -4,-2.7 5,-1.8 1,-0.3 3,-0.7 0.893 102.6 59.2 -57.6 -43.3 15.1 54.6 64.3 109 109 A G H 3<5S+ 0 0 6 -4,-1.8 -1,-0.3 55,-0.3 -2,-0.2 0.682 111.6 40.3 -55.2 -25.5 11.8 56.5 64.3 110 110 A G H <<5S+ 0 0 3 -3,-1.3 -1,-0.2 -4,-0.9 1627,-0.2 0.559 113.2 55.4 -96.4 -11.3 10.7 54.7 61.1 111 111 A A T <<5S- 0 0 1 -4,-1.0 -2,-0.2 -3,-0.7 1625,-0.1 0.241 111.1-104.8-113.2 10.2 12.1 51.3 62.1 112 112 A G T 5S+ 0 0 25 -4,-0.5 1407,-0.4 1,-0.2 -3,-0.2 0.685 78.2 131.3 78.0 17.2 10.4 50.5 65.4 113 113 A V < - 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0 0 11 -3,-0.7 2,-1.8 -6,-0.1 -1,-0.2 -0.660 51.1-120.2 -87.0 145.6 8.2 38.4 -2.0 498 31 D P > + 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.523 42.4 168.6 -82.3 77.1 11.7 38.5 -3.6 499 32 D E H > S+ 0 0 28 -2,-1.8 4,-1.9 1,-0.3 5,-0.1 0.792 72.3 48.3 -67.5 -33.4 11.5 34.9 -4.8 500 33 D N H > S+ 0 0 7 -3,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.880 111.4 48.1 -75.1 -38.8 14.5 35.2 -7.0 501 34 D L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.900 111.7 51.0 -68.9 -36.7 16.8 36.8 -4.4 502 35 D I H X S+ 0 0 2 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.956 109.8 51.0 -61.1 -44.3 15.6 34.1 -1.9 503 36 D G H X S+ 0 0 19 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.873 106.9 54.1 -60.1 -35.6 16.5 31.5 -4.5 504 37 D A H X S+ 0 0 4 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.890 105.9 51.9 -69.2 -38.1 19.9 33.1 -4.9 505 38 D L H X S+ 0 0 1 -4,-1.9 4,-2.1 1,-0.2 5,-0.5 0.829 103.7 57.3 -67.5 -31.4 20.6 32.8 -1.1 506 39 D L H < S+ 0 0 68 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.901 110.0 46.7 -59.9 -41.5 19.7 29.1 -1.3 507 40 D K H < S+ 0 0 144 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.865 113.3 45.6 -68.4 -39.3 22.5 28.8 -3.9 508 41 D T H < S- 0 0 51 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.807 94.1-145.4 -76.0 -28.7 25.1 30.8 -1.9 509 42 D G < + 0 0 37 -4,-2.1 -3,-0.1 1,-0.2 -4,-0.1 0.608 29.2 174.9 74.7 17.1 24.3 28.9 1.3 510 43 D V - 0 0 8 -5,-0.5 2,-0.2 1,-0.1 3,-0.2 -0.199 14.4-162.0 -57.8 139.7 24.8 31.9 3.5 511 44 D K + 0 0 115 1,-0.2 -27,-2.6 25,-0.0 -26,-0.3 -0.672 50.4 39.6-129.6 175.6 23.9 31.1 7.1 512 45 D E S S+ 0 0 93 22,-0.4 24,-0.2 -29,-0.2 -1,-0.2 0.770 74.2 174.1 57.8 37.8 23.1 32.3 10.6 513 46 D L E - l 0 536M 3 22,-2.4 24,-2.4 -3,-0.2 25,-1.8 -0.417 35.2-143.6 -74.6 143.9 20.9 35.1 9.1 514 47 D T E -jl 486 538M 24 -29,-2.5 -27,-3.0 23,-0.2 2,-0.6 -0.953 27.7-161.7 -97.8 112.7 18.8 37.5 11.1 515 48 D A E -jl 487 539M 2 23,-3.0 25,-2.5 -2,-0.7 2,-0.7 -0.882 12.0-162.1-105.5 118.3 15.8 37.8 8.8 516 49 D V E +jl 488 540M 0 -29,-2.4 -27,-3.0 -2,-0.6 2,-0.3 -0.887 36.2 137.7 -97.7 109.1 13.5 40.8 9.3 517 50 D S - 0 0 5 23,-2.3 25,-0.2 -2,-0.7 -27,-0.1 -0.970 60.1-123.5-155.8 141.2 10.3 39.9 7.4 518 51 D N S S- 0 0 0 -27,-0.5 24,-1.9 -29,-0.4 25,-1.8 0.889 95.0 -3.6 -56.7 -44.6 6.7 40.3 8.2 519 52 D N S S- 0 0 7 -28,-0.3 25,-0.2 22,-0.2 21,-0.1 -0.710 70.3-117.2-127.3-174.4 6.0 36.6 7.7 520 53 D A - 0 0 0 1,-0.4 8,-0.4 24,-0.4 5,-0.2 -0.214 47.7-119.7-124.1 48.2 8.0 33.6 6.6 521 54 D G - 0 0 6 -28,-0.3 -1,-0.4 6,-0.2 2,-0.3 -0.292 54.5 -50.2 60.2-138.4 6.1 32.7 3.5 522 55 D V B > -S 525 0O 26 3,-1.8 3,-1.5 -3,-0.1 25,-0.2 -0.767 64.6 -85.0-123.9 177.9 4.7 29.2 3.6 523 56 D D T 3 S+ 0 0 44 23,-0.7 9,-0.2 1,-0.3 24,-0.1 0.864 126.2 25.9 -55.9 -38.7 6.3 25.9 4.4 524 57 D N T 3 S+ 0 0 114 8,-0.0 2,-0.3 5,-0.0 -1,-0.3 0.082 120.0 46.6-117.3 25.2 7.6 25.4 0.9 525 58 D F B X S+S 522 0O 12 -3,-1.5 -3,-1.8 -5,-0.2 3,-1.2 -0.992 95.1 8.9-161.7 160.9 7.9 28.9 -0.6 526 59 D G T > S- 0 0 1 -2,-0.3 3,-2.0 1,-0.2 4,-0.4 -0.378 128.5 -13.9 63.0-146.2 9.3 32.4 0.2 527 60 D L T >> S+ 0 0 6 1,-0.3 4,-1.4 2,-0.2 3,-1.0 0.754 124.9 79.4 -63.8 -19.4 11.3 32.6 3.4 528 61 D G H <> S+ 0 0 0 -3,-1.2 4,-2.5 -8,-0.4 -1,-0.3 0.844 85.9 61.4 -50.6 -34.5 10.0 29.2 4.4 529 62 D L H <> S+ 0 0 46 -3,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.863 102.6 49.0 -61.5 -36.9 12.7 27.8 2.0 530 63 D L H <4>S+ 0 0 2 -3,-1.0 5,-2.7 -4,-0.4 6,-0.7 0.715 110.1 51.2 -78.5 -23.2 15.5 29.4 4.0 531 64 D L H ><5S+ 0 0 0 -4,-1.4 3,-1.5 3,-0.2 -2,-0.2 0.899 107.9 52.7 -70.8 -47.1 14.0 27.9 7.2 532 65 D Q H 3<5S+ 0 0 81 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.897 112.3 45.4 -52.9 -43.0 13.9 24.5 5.4 533 66 D S T 3<5S- 0 0 50 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.432 111.3-124.4 -83.5 -0.7 17.6 24.9 4.6 534 67 D K T < 5 + 0 0 129 -3,-1.5 -22,-0.4 1,-0.1 -3,-0.2 0.817 69.5 133.0 62.1 34.7 18.4 26.1 8.2 535 68 D Q < + 0 0 11 -5,-2.7 -22,-2.4 -24,-0.1 2,-0.5 0.540 49.0 78.3 -90.6 -5.8 19.9 29.3 6.9 536 69 D I E +l 513 0M 7 -6,-0.7 -22,-0.2 -24,-0.2 3,-0.1 -0.908 45.6 178.1-112.8 124.5 18.1 31.6 9.4 537 70 D K E S+ 0 0 83 -24,-2.4 23,-2.4 -2,-0.5 2,-0.4 0.817 75.9 16.5 -82.2 -43.3 19.1 32.0 13.0 538 71 D R E -lm 514 560M 47 -25,-1.8 -23,-3.0 21,-0.2 2,-0.4 -0.999 60.2-155.5-141.4 133.1 16.5 34.5 14.0 539 72 D M E -lm 515 561M 0 21,-2.6 23,-2.7 -2,-0.4 2,-0.5 -0.916 2.7-164.4 -99.8 136.0 13.2 35.8 12.5 540 73 D I E +lm 516 562M 15 -25,-2.5 -23,-2.3 -2,-0.4 2,-0.3 -0.979 41.5 135.8-118.5 108.0 11.9 39.3 13.4 541 74 D S E - m 0 563M 0 21,-1.8 23,-2.7 -2,-0.5 -23,-0.2 -0.947 58.2-135.6-151.8 162.5 8.3 39.1 12.2 542 75 D S S S+ 0 0 0 -24,-1.9 294,-2.7 1,-0.3 2,-0.3 0.697 88.0 16.9-102.1 -24.0 4.7 39.9 13.1 543 76 D Y - 0 0 69 -25,-1.8 -23,-0.3 292,-0.2 -1,-0.3 -0.928 47.0-158.3-156.0 127.5 2.9 36.7 12.2 544 77 D V + 0 0 1 289,-3.0 -24,-0.4 -2,-0.3 3,-0.2 0.849 40.6 169.4 -70.3 -37.9 3.9 33.1 11.5 545 78 D G - 0 0 11 288,-0.3 2,-1.4 1,-0.2 -1,-0.1 -0.221 57.7 -11.2 64.3-149.7 0.7 32.4 9.5 546 79 D E S S+ 0 0 109 -25,-0.1 -23,-0.7 4,-0.0 2,-0.5 -0.379 98.3 112.0 -88.6 54.3 0.3 29.3 7.5 547 80 D N > - 0 0 0 -2,-1.4 4,-1.8 -25,-0.2 5,-0.1 -0.905 42.0-176.3-124.1 98.9 3.9 28.1 7.6 548 81 D A H > S+ 0 0 52 -2,-0.5 4,-2.3 1,-0.2 -1,-0.1 0.811 82.4 52.8 -66.4 -29.8 3.9 25.0 9.7 549 82 D E H > S+ 0 0 27 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.833 106.5 52.8 -76.6 -33.7 7.7 24.6 9.6 550 83 D F H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.961 113.9 44.4 -59.8 -51.7 8.2 28.2 10.9 551 84 D E H X S+ 0 0 48 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.902 114.0 49.6 -60.4 -44.0 5.9 27.4 13.8 552 85 D R H X S+ 0 0 100 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.955 109.9 49.0 -61.3 -54.0 7.6 24.0 14.4 553 86 D Q H X>S+ 0 0 4 -4,-2.7 5,-1.9 2,-0.2 6,-1.1 0.858 112.3 50.2 -55.0 -42.7 11.1 25.4 14.5 554 87 D Y H ><5S+ 0 0 2 -4,-2.0 3,-1.4 1,-0.2 48,-0.6 0.988 114.3 42.0 -59.9 -58.9 10.1 28.1 16.9 555 88 D L H 3<5S+ 0 0 71 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.780 113.2 57.3 -59.2 -26.3 8.3 25.8 19.4 556 89 D A H 3<5S- 0 0 56 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.541 110.7-113.7 -87.3 -11.6 11.2 23.3 19.0 557 90 D G T <<5S+ 0 0 22 -3,-1.4 -3,-0.2 -4,-0.6 -2,-0.1 0.590 88.2 109.5 88.9 12.7 14.1 25.5 20.1 558 91 D E S - 0 0 2 0, 0.0 4,-3.0 0, 0.0 3,-0.2 -0.254 35.8-123.5 -55.3 141.3 3.6 44.2 16.2 566 99 D Q H > S+ 0 0 7 270,-2.6 4,-2.3 1,-0.3 271,-0.2 0.844 108.6 45.4 -60.4 -43.1 3.3 44.7 12.4 567 100 D G H > S+ 0 0 0 269,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.830 113.4 51.2 -67.3 -36.4 2.9 48.5 12.5 568 101 D T H > S+ 0 0 0 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.885 109.3 50.8 -63.8 -42.0 5.8 48.7 14.9 569 102 D L H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.962 112.8 46.3 -57.2 -48.4 7.9 46.5 12.6 570 103 D A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.916 115.4 45.0 -65.4 -42.5 7.0 48.9 9.7 571 104 D E H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.844 110.7 53.5 -73.8 -33.8 7.7 52.1 11.6 572 105 D R H X S+ 0 0 25 -4,-2.5 55,-2.2 2,-0.2 4,-1.9 0.908 110.9 47.0 -64.8 -40.0 11.0 50.8 13.1 573 106 D I H X S+ 0 0 0 -4,-2.2 4,-1.0 -5,-0.2 -2,-0.2 0.926 111.8 50.6 -63.7 -48.2 12.2 49.9 9.6 574 107 D R H >X S+ 0 0 13 -4,-2.3 3,-1.0 1,-0.2 4,-1.0 0.938 109.6 50.9 -53.8 -46.1 11.1 53.4 8.4 575 108 D A H ><>S+ 0 0 1 -4,-2.7 5,-1.9 1,-0.3 3,-0.7 0.881 103.5 59.9 -59.8 -38.5 13.0 55.0 11.3 576 109 D G H 3<5S+ 0 0 7 -4,-1.9 -1,-0.3 51,-0.4 -2,-0.2 0.711 111.7 39.1 -64.9 -23.9 16.1 53.0 10.3 577 110 D G H <<5S+ 0 0 3 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.564 114.4 54.7 -94.0 -12.3 16.0 54.7 6.8 578 111 D A T <<5S- 0 0 2 -4,-1.0 -2,-0.2 -3,-0.7 692,-0.1 0.236 110.6-105.1-112.9 10.2 15.1 58.1 8.1 579 112 D G T 5S+ 0 0 21 -4,-0.5 472,-0.5 1,-0.2 -3,-0.2 0.755 77.9 130.2 73.2 23.2 17.7 59.0 10.7 580 113 D V < - 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