==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-JUN-02 1M3E . COMPND 2 MOLECULE: SUCCINYL-COA:3-KETOACID-COENZYME A TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR K.S.BATEMAN,E.R.BROWNIE,W.T.WOLODKO,M.E.FRASER . 1890 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67967.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1251 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 272 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 234 12.4 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 . 32 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 127 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 225 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 256 13.5 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 12 4 0 2 10 4 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 8 20 20 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 17 11 9 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 . 9 4 3 1 2 0 4 0 4 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,-0.6 0, 0.0 228,-0.2 0.000 360.0 360.0 360.0 130.1 64.7 54.9 6.8 2 2 A K E -a 229 0A 130 226,-2.8 228,-2.7 225,-0.1 2,-0.3 -0.848 360.0-145.1 -97.8 123.6 67.2 52.7 8.5 3 3 A F E -a 230 0A 81 -2,-0.6 2,-0.3 226,-0.2 228,-0.2 -0.680 14.8-166.5 -90.7 140.3 69.8 51.2 6.2 4 4 A Y E -a 231 0A 34 226,-2.8 228,-0.6 -2,-0.3 3,-0.1 -0.834 23.5-160.8-122.4 160.3 71.2 47.7 6.7 5 5 A T S S+ 0 0 128 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.639 83.8 55.0-107.3 -28.2 74.1 45.8 5.3 6 6 A D > - 0 0 73 1,-0.1 4,-1.0 227,-0.0 -1,-0.2 -0.926 66.7-152.3-114.3 129.2 72.8 42.3 6.2 7 7 A A H >> S+ 0 0 19 -2,-0.5 4,-1.3 1,-0.2 3,-0.6 0.910 99.9 53.6 -63.1 -43.9 69.4 41.0 5.2 8 8 A V H >> S+ 0 0 37 1,-0.3 4,-1.7 2,-0.2 3,-0.7 0.915 103.7 56.0 -56.7 -45.2 69.2 38.7 8.2 9 9 A E H 34 S+ 0 0 87 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.823 107.2 52.0 -57.9 -30.0 69.9 41.7 10.5 10 10 A A H << S+ 0 0 0 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.774 120.4 29.4 -79.3 -28.2 66.8 43.4 8.9 11 11 A V H X< S+ 0 0 0 -4,-1.3 3,-2.2 -3,-0.7 -2,-0.2 0.361 86.6 113.2-112.0 2.2 64.3 40.5 9.4 12 12 A K T 3< S+ 0 0 118 -4,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.711 75.4 50.1 -44.4 -32.7 66.0 39.2 12.6 13 13 A D T 3 + 0 0 80 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.268 69.8 128.8-100.1 12.7 63.0 40.1 14.8 14 14 A I < - 0 0 10 -3,-2.2 2,-0.1 1,-0.1 3,-0.1 -0.533 55.8-134.0 -68.3 122.4 60.1 38.7 12.9 15 15 A P > - 0 0 68 0, 0.0 3,-1.5 0, 0.0 152,-0.1 -0.405 22.7 -93.5 -78.3 155.9 58.2 36.6 15.5 16 16 A N T 3 S+ 0 0 92 1,-0.3 29,-0.2 -2,-0.1 30,-0.1 -0.345 113.5 24.3 -61.6 146.7 56.8 33.1 15.0 17 17 A G T 3 S+ 0 0 41 27,-2.4 -1,-0.3 1,-0.2 29,-0.1 0.585 91.4 150.1 73.1 9.0 53.2 33.1 13.8 18 18 A A < - 0 0 3 -3,-1.5 29,-2.4 26,-0.3 2,-0.7 -0.337 51.5-119.3 -74.2 156.1 53.6 36.6 12.4 19 19 A T E -b 47 0A 39 27,-0.2 148,-2.2 146,-0.1 149,-1.6 -0.887 36.8-172.4 -96.9 119.1 51.6 37.9 9.4 20 20 A V E -bc 48 168A 2 27,-1.5 29,-1.9 -2,-0.7 2,-0.4 -0.965 17.5-144.9-120.7 127.8 54.1 38.8 6.7 21 21 A L E -bc 49 169A 0 147,-2.6 149,-3.7 -2,-0.4 2,-0.5 -0.746 16.9-167.4 -89.2 133.1 53.3 40.5 3.4 22 22 A V E - c 0 170A 5 27,-2.2 29,-0.5 -2,-0.4 149,-0.2 -0.942 9.4-145.3-127.9 112.3 55.5 39.3 0.5 23 23 A G + 0 0 1 147,-2.1 167,-0.1 -2,-0.5 166,-0.1 0.068 45.4 87.1 -65.1 177.9 55.6 41.2 -2.8 24 24 A G - 0 0 3 165,-0.3 2,-0.5 6,-0.2 27,-0.5 0.098 58.5-121.8 105.8 143.3 55.9 39.8 -6.3 25 25 A F B > S-J 28 0B 2 3,-2.3 3,-2.9 162,-0.1 2,-0.4 -0.987 83.6 -39.7-116.2 118.3 53.8 38.5 -9.1 26 26 A G T 3 S- 0 0 5 -2,-0.5 28,-0.2 1,-0.3 26,-0.1 -0.506 124.0 -34.3 64.2-118.5 54.8 34.9 -10.0 27 27 A L T > S+ 0 0 18 -2,-0.4 3,-0.6 27,-0.1 2,-0.5 0.165 114.8 113.2-117.1 10.4 58.6 35.2 -9.8 28 28 A C B < S-J 25 0B 3 -3,-2.9 -3,-2.3 1,-0.2 287,-0.1 -0.754 90.2 -6.0 -89.1 124.6 58.6 38.8 -11.0 29 29 A G T 3 S+ 0 0 5 -2,-0.5 143,-0.5 -5,-0.2 -1,-0.2 0.892 89.3 157.8 62.2 41.2 59.7 41.3 -8.4 30 30 A I < - 0 0 10 -3,-0.6 2,-1.8 -6,-0.1 -1,-0.2 -0.745 50.5-117.5 -96.4 148.0 60.0 38.8 -5.6 31 31 A P > + 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.510 44.1 166.1 -83.1 72.8 62.2 39.6 -2.5 32 32 A E H > S+ 0 0 26 -2,-1.8 4,-1.9 1,-0.2 5,-0.1 0.822 71.1 50.0 -59.6 -35.5 64.6 36.7 -2.9 33 33 A N H > S+ 0 0 28 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.936 113.0 45.1 -71.1 -44.6 67.3 38.1 -0.5 34 34 A L H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.862 113.4 51.1 -66.3 -34.9 64.8 38.8 2.3 35 35 A I H X S+ 0 0 2 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.897 108.9 51.0 -68.7 -38.3 63.2 35.4 1.7 36 36 A G H X S+ 0 0 22 -4,-1.9 4,-1.4 1,-0.2 3,-0.5 0.876 105.6 57.2 -65.1 -34.2 66.6 33.8 1.9 37 37 A A H X S+ 0 0 3 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.857 101.4 55.4 -64.8 -34.5 67.2 35.6 5.1 38 38 A L H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 5,-0.4 0.778 101.0 59.3 -69.2 -25.0 64.0 34.0 6.6 39 39 A L H < S+ 0 0 67 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.940 110.9 40.4 -67.0 -45.1 65.5 30.6 5.8 40 40 A K H < S+ 0 0 174 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.904 114.5 53.6 -67.5 -42.6 68.5 31.3 8.0 41 41 A T H < S- 0 0 47 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.885 91.1-154.4 -59.3 -41.1 66.3 33.0 10.6 42 42 A G < + 0 0 41 -4,-2.4 -3,-0.1 1,-0.2 -1,-0.1 0.580 26.7 167.5 75.5 9.5 64.1 29.9 10.8 43 43 A V - 0 0 7 -5,-0.4 2,-0.2 1,-0.1 -1,-0.2 -0.289 19.1-164.8 -54.9 137.4 61.0 31.9 12.0 44 44 A K + 0 0 108 1,-0.2 -27,-2.4 25,-0.0 -26,-0.3 -0.783 48.9 41.2-130.8 175.2 58.0 29.6 11.7 45 45 A E S S+ 0 0 99 22,-0.4 24,-0.2 -2,-0.2 -1,-0.2 0.827 73.4 170.8 61.4 36.9 54.2 29.3 11.6 46 46 A L E - d 0 69A 2 22,-2.1 24,-2.8 -3,-0.2 25,-2.3 -0.420 37.3-142.6 -78.8 148.9 53.9 32.4 9.4 47 47 A T E -bd 19 71A 23 -29,-2.4 -27,-1.5 23,-0.2 2,-0.6 -0.908 28.4-164.7-110.6 96.6 50.7 33.5 7.8 48 48 A A E -bd 20 72A 2 23,-2.4 25,-2.0 -2,-0.8 2,-0.8 -0.774 12.1-158.1 -89.7 114.8 52.2 34.8 4.5 49 49 A V E +bd 21 73A 0 -29,-1.9 -27,-2.2 -2,-0.6 2,-0.3 -0.842 35.5 145.4 -94.6 112.1 49.9 37.0 2.4 50 50 A S - 0 0 6 23,-1.5 25,-0.2 -2,-0.8 -27,-0.1 -0.990 56.0-125.3-145.7 146.6 51.4 36.7 -1.1 51 51 A N S S+ 0 0 1 -29,-0.5 25,-2.0 -27,-0.5 24,-1.9 0.920 92.7 6.1 -61.2 -43.6 49.7 36.7 -4.5 52 52 A N - 0 0 8 -28,-0.4 25,-0.2 22,-0.2 8,-0.1 -0.806 69.7-115.9-133.7 174.0 51.3 33.4 -5.5 53 53 A A - 0 0 1 23,-0.5 11,-0.1 1,-0.4 30,-0.1 -0.055 47.2-138.2 -99.7 30.0 53.4 30.6 -4.0 54 54 A G - 0 0 7 -28,-0.2 -1,-0.4 6,-0.2 2,-0.2 -0.210 48.6 -49.3 48.7-135.2 56.3 31.3 -6.4 55 55 A V B > -K 58 0C 35 3,-2.2 3,-1.0 -3,-0.1 6,-0.3 -0.765 54.8 -97.2-125.1 170.5 57.7 28.0 -7.6 56 56 A D T 3 S+ 0 0 47 23,-0.6 9,-0.2 -2,-0.2 8,-0.1 0.913 122.4 30.9 -53.3 -50.0 58.8 24.8 -5.9 57 57 A N T 3 S+ 0 0 99 4,-0.1 2,-0.3 8,-0.0 -1,-0.2 0.232 124.1 34.6 -97.6 12.5 62.5 25.7 -5.8 58 58 A F B X S+K 55 0C 9 -3,-1.0 -3,-2.2 181,-0.0 3,-1.2 -0.998 95.5 13.7-163.9 157.6 62.3 29.5 -5.6 59 59 A G T >> S- 0 0 1 -2,-0.3 3,-1.3 1,-0.3 4,-0.5 -0.507 126.4 -12.6 75.7-144.3 60.4 32.5 -4.2 60 60 A L H 3> S+ 0 0 5 1,-0.3 4,-0.9 2,-0.2 3,-0.4 0.686 126.2 78.9 -65.1 -16.2 57.8 31.7 -1.5 61 61 A G H X> S+ 0 0 1 -3,-1.2 4,-2.6 -6,-0.3 3,-1.0 0.896 84.8 60.5 -58.0 -39.5 58.3 28.1 -2.4 62 62 A L H <> S+ 0 0 34 -3,-1.3 4,-1.7 1,-0.3 -1,-0.2 0.881 102.8 49.9 -54.7 -43.2 61.5 28.0 -0.4 63 63 A L H 3<>S+ 0 0 3 -4,-0.5 5,-1.9 -3,-0.4 6,-0.7 0.682 110.9 51.4 -71.4 -17.5 59.6 28.9 2.8 64 64 A L H X<5S+ 0 0 1 -3,-1.0 3,-1.7 -4,-0.9 -2,-0.2 0.870 105.1 53.8 -84.4 -40.2 57.2 26.1 2.0 65 65 A Q H 3<5S+ 0 0 92 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.1 0.887 111.8 46.5 -57.7 -40.4 59.9 23.5 1.5 66 66 A S T 3<5S- 0 0 50 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.333 109.9-127.9 -84.5 6.1 61.2 24.5 4.9 67 67 A K T < 5 + 0 0 121 -3,-1.7 -22,-0.4 1,-0.1 -3,-0.2 0.740 65.4 138.1 52.7 28.3 57.6 24.3 6.3 68 68 A Q < + 0 0 10 -5,-1.9 -22,-2.1 -6,-0.2 2,-0.4 0.516 52.4 74.0 -80.3 -2.9 58.1 27.8 7.8 69 69 A I E +d 46 0A 8 -6,-0.7 -22,-0.2 -24,-0.2 3,-0.1 -0.914 42.0 169.2-117.3 135.7 54.5 28.8 6.7 70 70 A K E S+ 0 0 91 -24,-2.8 23,-2.3 -2,-0.4 2,-0.4 0.683 72.3 42.2-110.4 -26.3 51.2 27.8 8.2 71 71 A R E -de 47 93A 58 -25,-2.3 -23,-2.4 21,-0.2 2,-0.5 -0.981 58.5-169.8-130.1 129.5 48.9 30.2 6.3 72 72 A X E -de 48 94A 0 21,-2.3 23,-3.2 -2,-0.4 2,-0.6 -0.954 3.1-173.4-115.5 129.4 48.8 31.3 2.7 73 73 A I E +de 49 95A 14 -25,-2.0 -23,-1.5 -2,-0.5 2,-0.3 -0.894 36.7 134.5-122.0 96.5 46.6 34.2 1.6 74 74 A S E - e 0 96A 0 21,-0.6 23,-3.8 -2,-0.6 -23,-0.2 -0.856 56.1-137.9-138.0 172.0 46.9 34.2 -2.2 75 75 A S S S+ 0 0 0 -24,-1.9 302,-2.6 1,-0.3 2,-0.4 0.760 92.9 20.2-102.6 -33.5 44.9 34.5 -5.4 76 76 A Y + 0 0 60 -25,-2.0 -23,-0.5 300,-0.2 -1,-0.3 -0.914 53.7 174.2-145.1 116.9 46.7 31.8 -7.5 77 77 A V + 0 0 0 297,-2.6 3,-0.4 -2,-0.4 7,-0.3 -0.015 36.3 129.3-110.3 28.4 48.8 28.9 -6.2 78 78 A G + 0 0 5 296,-0.4 -25,-0.3 1,-0.2 -2,-0.1 -0.141 51.4 43.9 -77.6 177.7 49.6 26.9 -9.3 79 79 A E S S+ 0 0 61 1,-0.1 -23,-0.6 -24,-0.1 2,-0.3 0.752 88.1 104.6 58.8 29.5 52.9 25.6 -10.6 80 80 A N > + 0 0 0 -3,-0.4 4,-2.2 -25,-0.2 5,-0.4 -0.749 42.6 179.3-143.6 92.0 54.0 24.5 -7.1 81 81 A A H > S+ 0 0 49 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.919 86.6 52.7 -56.2 -51.3 53.9 20.8 -6.4 82 82 A E H > S+ 0 0 38 3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.835 114.3 48.0 -56.6 -31.3 55.1 21.1 -2.8 83 83 A F H > S+ 0 0 0 -3,-0.2 4,-3.8 2,-0.2 -2,-0.2 0.994 113.8 38.2 -72.1 -77.0 52.3 23.6 -2.3 84 84 A E H X S+ 0 0 60 -4,-2.2 4,-3.0 -7,-0.3 5,-0.3 0.798 117.7 59.6 -45.8 -25.0 49.2 22.0 -3.8 85 85 A R H X S+ 0 0 105 -4,-2.2 4,-3.2 -5,-0.4 -1,-0.2 0.998 110.7 35.8 -63.9 -65.3 50.9 19.0 -2.2 86 86 A Q H X>S+ 0 0 1 -4,-2.7 5,-2.7 2,-0.2 6,-1.0 0.839 119.8 52.7 -57.0 -37.0 50.8 20.5 1.3 87 87 A Y H ><5S+ 0 0 2 -4,-3.8 3,-1.5 4,-0.2 48,-0.5 0.995 114.3 38.7 -63.3 -62.5 47.5 22.1 0.5 88 88 A L H 3<5S+ 0 0 93 -4,-3.0 49,-0.2 1,-0.3 -2,-0.2 0.894 115.6 52.8 -55.0 -45.4 45.8 18.9 -0.7 89 89 A A H 3<5S- 0 0 29 -4,-3.2 -1,-0.3 -5,-0.3 48,-0.3 0.551 115.8-113.8 -70.1 -7.9 47.4 16.7 2.1 90 90 A G T <<5S+ 0 0 16 -3,-1.5 -3,-0.2 -4,-0.5 -2,-0.1 0.690 83.4 121.7 82.5 19.6 46.2 19.2 4.7 91 91 A E S - 0 0 1 0, 0.0 4,-2.9 0, 0.0 5,-0.2 -0.304 32.0-126.8 -55.0 131.1 40.5 37.1 -5.5 99 99 A Q H > S+ 0 0 4 278,-2.3 4,-2.3 1,-0.2 279,-0.2 0.872 106.9 48.5 -46.6 -51.1 43.5 39.0 -6.7 100 100 A G H > S+ 0 0 0 277,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 113.5 46.8 -58.6 -47.0 41.7 42.4 -7.0 101 101 A T H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.890 109.4 55.6 -62.5 -39.1 40.2 42.0 -3.5 102 102 A L H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.910 109.9 46.0 -59.3 -44.6 43.7 41.0 -2.2 103 103 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.937 114.9 45.7 -64.8 -48.1 45.2 44.2 -3.5 104 104 A E H X S+ 0 0 6 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.924 111.1 52.4 -60.9 -48.2 42.4 46.5 -2.3 105 105 A R H X S+ 0 0 25 -4,-3.0 4,-1.7 1,-0.2 59,-1.7 0.926 110.9 48.0 -54.4 -47.7 42.3 44.9 1.2 106 106 A I H X S+ 0 0 0 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.2 0.921 111.9 49.0 -60.6 -45.4 46.1 45.4 1.5 107 107 A R H >X S+ 0 0 22 -4,-2.3 3,-1.4 1,-0.2 4,-1.1 0.921 108.5 53.9 -60.4 -42.9 45.8 49.0 0.4 108 108 A A H 3X>S+ 0 0 2 -4,-3.0 5,-1.9 1,-0.3 4,-0.5 0.854 100.5 62.8 -58.4 -35.0 42.9 49.5 2.9 109 109 A G H 3<5S+ 0 0 10 -4,-1.7 -1,-0.3 55,-0.4 -2,-0.2 0.749 112.3 34.6 -63.8 -24.5 45.3 48.2 5.5 110 110 A G H <<5S+ 0 0 4 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.494 112.9 58.9-107.5 -4.9 47.6 51.1 4.9 111 111 A A H <5S- 0 0 1 -4,-1.1 -2,-0.2 -3,-0.4 708,-0.1 0.285 111.6-103.3-109.1 11.9 45.1 53.9 4.2 112 112 A G T <5S+ 0 0 21 -4,-0.5 481,-0.5 1,-0.2 -3,-0.1 0.805 78.7 130.7 74.6 28.7 43.1 53.8 7.4 113 113 A V < - 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0 0 10 -3,-0.6 2,-1.8 -6,-0.1 -1,-0.2 -0.724 50.3-118.2 -95.0 147.3 43.2 74.3 -11.7 505 31 B P > + 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.504 43.7 166.3 -83.0 73.0 41.8 73.7 -15.2 506 32 B E H > S+ 0 0 26 -2,-1.8 4,-1.8 1,-0.2 5,-0.1 0.819 71.0 50.3 -59.8 -33.8 41.5 77.4 -16.2 507 33 B N H > S+ 0 0 28 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.929 112.8 44.9 -72.3 -43.7 40.9 76.8 -19.9 508 34 B L H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.858 113.4 51.4 -67.3 -34.3 38.1 74.3 -19.4 509 35 B I H X S+ 0 0 2 -4,-2.2 4,-1.1 1,-0.2 3,-0.2 0.907 108.7 51.2 -68.9 -38.7 36.5 76.5 -16.8 510 36 B G H X S+ 0 0 23 -4,-1.8 4,-1.3 1,-0.2 3,-0.3 0.864 105.7 56.9 -64.3 -33.8 36.7 79.4 -19.2 511 37 B A H X S+ 0 0 3 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.841 101.4 55.4 -66.1 -33.6 35.0 77.1 -21.7 512 38 B L H X S+ 0 0 1 -4,-1.4 4,-2.5 -3,-0.2 5,-0.4 0.785 101.0 59.6 -70.3 -25.9 32.0 76.5 -19.4 513 39 B L H < S+ 0 0 22 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.933 110.9 40.2 -65.9 -43.8 31.5 80.3 -19.1 514 40 B K H < S+ 0 0 172 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.913 114.6 53.4 -68.7 -43.3 31.0 80.5 -22.9 515 41 B T H < S- 0 0 49 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.889 91.2-154.2 -58.5 -41.9 28.9 77.3 -22.8 516 42 B G < + 0 0 43 -4,-2.5 -3,-0.1 1,-0.2 -1,-0.1 0.598 25.6 169.6 75.6 11.2 26.7 78.7 -20.1 517 43 B V - 0 0 6 -5,-0.4 -1,-0.2 1,-0.1 3,-0.2 -0.294 19.0-159.5 -55.2 137.1 25.7 75.3 -18.7 518 44 B K + 0 0 107 1,-0.2 -27,-2.8 25,-0.0 -26,-0.4 -0.566 50.2 35.5-120.5-178.2 23.9 75.8 -15.4 519 45 B E S S+ 0 0 96 22,-0.4 24,-0.2 -29,-0.2 -1,-0.2 0.795 74.4 173.3 47.5 41.4 22.8 74.3 -12.1 520 46 B L E - j 0 543L 2 22,-2.1 24,-2.7 -3,-0.2 25,-2.3 -0.402 36.6-140.6 -79.6 152.1 25.9 72.3 -11.8 521 47 B T E -hj 493 545L 25 -29,-2.6 -27,-2.2 23,-0.2 2,-0.7 -0.932 28.3-166.2-109.4 99.7 27.0 70.2 -8.8 522 48 B A E -hj 494 546L 2 23,-2.7 25,-2.0 -2,-0.8 2,-0.8 -0.822 11.9-160.7 -94.7 115.4 30.7 70.9 -8.8 523 49 B V E +hj 495 547L 0 -29,-1.9 -27,-2.2 -2,-0.7 2,-0.3 -0.866 34.1 146.7 -95.7 111.0 32.8 68.7 -6.6 524 50 B S - 0 0 6 23,-1.4 25,-0.1 -2,-0.8 -27,-0.1 -0.991 55.5-126.1-144.0 145.1 35.9 70.7 -6.1 525 51 B N S S+ 0 0 0 -29,-0.5 25,-2.0 -27,-0.5 24,-1.8 0.915 92.4 6.0 -60.5 -42.9 38.3 70.9 -3.1 526 52 B N - 0 0 14 -28,-0.3 25,-0.2 22,-0.2 8,-0.1 -0.809 69.7-115.6-134.0 174.8 38.1 74.7 -2.9 527 53 B A - 0 0 0 23,-0.5 11,-0.1 1,-0.4 30,-0.1 -0.026 46.3-138.1 -99.9 28.8 36.2 77.6 -4.5 528 54 B G - 0 0 6 -28,-0.2 -1,-0.4 6,-0.2 2,-0.2 -0.230 48.3 -55.7 48.5-135.5 39.3 79.0 -6.0 529 55 B V B > -Q 532 0N 19 3,-2.2 3,-0.7 -3,-0.1 6,-0.3 -0.725 56.0 -88.7-126.5-180.0 39.1 82.8 -5.5 530 56 B D T 3 S+ 0 0 44 23,-0.5 9,-0.2 -2,-0.2 8,-0.1 0.926 122.5 27.2 -56.4 -50.3 36.6 85.5 -6.3 531 57 B N T 3 S+ 0 0 65 4,-0.0 2,-0.3 8,-0.0 -1,-0.2 0.227 122.8 41.5-102.1 15.9 37.9 86.3 -9.8 532 58 B F B X S+Q 529 0N 8 -3,-0.7 -3,-2.2 181,-0.0 3,-1.2 -0.998 95.3 8.7-160.2 155.8 39.5 83.1 -10.8 533 59 B G T >> S- 0 0 1 -2,-0.3 3,-1.3 1,-0.3 4,-0.5 -0.516 126.9 -11.9 76.1-142.8 39.2 79.3 -10.8 534 60 B L H 3> S+ 0 0 6 1,-0.3 4,-0.9 -2,-0.2 3,-0.4 0.681 126.1 78.4 -65.6 -16.4 35.9 77.9 -9.7 535 61 B G H X> S+ 0 0 0 -3,-1.2 4,-2.6 -6,-0.3 3,-0.8 0.883 85.0 60.6 -59.1 -37.8 35.0 81.4 -8.5 536 62 B L H <> S+ 0 0 34 -3,-1.3 4,-1.7 1,-0.3 -1,-0.2 0.887 102.8 50.1 -56.1 -42.7 34.3 82.4 -12.1 537 63 B L H 3<>S+ 0 0 2 -4,-0.5 5,-2.1 -3,-0.4 6,-0.6 0.698 110.8 51.3 -70.7 -18.6 31.5 79.8 -12.3 538 64 B L H X<5S+ 0 0 0 -4,-0.9 3,-1.8 -3,-0.8 -2,-0.2 0.876 105.1 54.2 -83.8 -39.9 30.2 81.2 -9.0 539 65 B Q H 3<5S+ 0 0 46 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.1 0.882 111.6 46.5 -58.1 -39.2 30.2 84.8 -10.3 540 66 B S T 3<5S- 0 0 13 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.325 109.9-127.0 -86.0 6.7 28.1 83.6 -13.3 541 67 B K T < 5 + 0 0 42 -3,-1.8 -22,-0.4 1,-0.1 -3,-0.2 0.781 65.8 137.7 52.8 30.7 25.8 81.7 -11.0 542 68 B Q < + 0 0 8 -5,-2.1 -22,-2.1 -6,-0.2 2,-0.4 0.509 52.4 73.9 -83.7 -1.8 26.4 78.5 -13.0 543 69 B I E +j 520 0L 1 -6,-0.6 -22,-0.2 -24,-0.2 3,-0.1 -0.919 41.8 169.2-118.5 135.2 26.7 76.3 -9.9 544 70 B K E S+ 0 0 79 -24,-2.7 23,-2.4 -2,-0.4 2,-0.4 0.704 72.5 41.4-109.5 -27.0 24.0 75.1 -7.5 545 71 B R E -jk 521 567L 56 -25,-2.3 -23,-2.7 21,-0.2 2,-0.5 -0.982 58.6-169.6-129.8 129.8 26.0 72.6 -5.5 546 72 B X E -jk 522 568L 0 21,-2.3 23,-3.1 -2,-0.4 2,-0.6 -0.953 3.1-172.8-115.3 129.6 29.5 72.7 -4.1 547 73 B I E +jk 523 569L 14 -25,-2.0 -23,-1.4 -2,-0.5 2,-0.3 -0.890 36.9 135.4-121.8 95.9 31.1 69.6 -2.6 548 74 B S E - k 0 570L 0 -2,-0.6 23,-3.6 21,-0.5 -23,-0.2 -0.860 55.8-138.7-137.8 170.6 34.4 70.9 -1.1 549 75 B S S S+ 0 0 0 -24,-1.8 303,-2.4 1,-0.3 2,-0.4 0.761 92.7 19.8-101.8 -34.3 36.6 70.7 2.0 550 76 B Y + 0 0 70 -25,-2.0 -23,-0.5 301,-0.2 -1,-0.3 -0.926 53.9 174.1-144.4 118.0 37.6 74.4 2.4 551 77 B V + 0 0 1 298,-2.3 3,-0.4 -2,-0.4 7,-0.1 0.008 36.2 128.9-111.2 27.0 35.8 77.4 0.8 552 78 B G + 0 0 4 297,-0.4 -25,-0.3 1,-0.2 -2,-0.1 -0.110 51.3 44.5 -76.1 178.6 37.6 80.3 2.3 553 79 B E S S+ 0 0 59 1,-0.1 -23,-0.5 -24,-0.1 2,-0.3 0.755 88.2 104.0 58.6 29.5 39.1 83.4 0.5 554 80 B N > + 0 0 8 -3,-0.4 4,-1.8 -25,-0.2 5,-0.2 -0.761 42.9 179.6-144.2 93.3 36.0 83.7 -1.7 555 81 B A H > S+ 0 0 39 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.926 86.2 51.3 -57.5 -51.7 33.6 86.6 -0.8 556 82 B E H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.860 107.0 58.2 -56.3 -36.3 31.1 85.9 -3.6 557 83 B F H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.959 110.5 38.2 -59.1 -55.4 31.1 82.3 -2.4 558 84 B E H X S+ 0 0 33 -4,-1.8 4,-4.3 2,-0.2 5,-0.4 0.869 110.2 60.2 -69.2 -33.8 30.0 83.0 1.1 559 85 B R H X S+ 0 0 67 -4,-2.7 4,-2.5 1,-0.2 6,-0.2 0.967 111.8 41.3 -55.1 -49.4 27.6 85.7 0.1 560 86 B Q H X>S+ 0 0 0 -4,-2.2 5,-3.0 -5,-0.2 6,-1.5 0.896 117.9 47.9 -62.6 -41.0 25.8 83.1 -2.0 561 87 B Y H <5S+ 0 0 3 -4,-2.3 48,-0.6 4,-0.2 -2,-0.2 0.916 116.6 41.4 -65.8 -46.3 26.1 80.5 0.7 562 88 B L H <5S+ 0 0 42 -4,-4.3 51,-0.2 1,-0.2 -2,-0.2 0.817 113.2 53.3 -72.9 -33.2 24.9 82.9 3.5 563 89 B A H <5S- 0 0 23 -4,-2.5 48,-0.4 -5,-0.4 -1,-0.2 0.790 115.1-119.1 -71.7 -25.6 22.2 84.3 1.3 564 90 B G T <5S+ 0 0 15 -4,-1.2 -3,-0.2 -5,-0.2 -4,-0.1 0.704 83.5 116.4 93.1 22.7 21.0 80.8 0.7 565 91 B E < + 0 0 41 -5,-3.0 2,-0.4 -6,-0.2 -4,-0.2 0.599 69.8 55.1 -95.4 -15.7 21.6 80.9 -3.1 566 92 B L S S- 0 0 0 -6,-1.5 2,-0.4 -8,-0.1 43,-0.3 -0.970 71.8-144.5-125.0 133.9 24.3 78.2 -3.0 567 93 B E E -k 545 0L 23 -23,-2.4 -21,-2.3 -2,-0.4 2,-0.4 -0.793 23.4-172.1 -92.7 134.5 24.1 74.7 -1.6 568 94 B V E -k 546 0L 0 39,-3.4 2,-0.6 -2,-0.4 -21,-0.2 -0.994 20.9-162.4-133.8 135.7 27.3 73.5 -0.0 569 95 B E E -k 547 0L 30 -23,-3.1 -21,-0.5 -2,-0.4 2,-0.4 -0.794 18.7-149.7-115.3 86.3 28.4 70.1 1.3 570 96 B L E -k 548 0L 10 -2,-0.6 -21,-0.2 36,-0.3 280,-0.1 -0.394 24.5-176.1 -58.2 111.7 31.5 70.7 3.5 571 97 B T - 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