==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 10-FEB-05 1YTL . COMPND 2 MOLECULE: ACETYL-COA DECARBOXYLASE/SYNTHASE COMPLEX EPSILON . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR C.CHANG,E.EVDOKIMOVA,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDW . 631 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 476 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 41 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 0 0 0 4 0 7 1 4 1 0 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 7 5 8 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 17 A K 0 0 134 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 123.7 18.1 59.6 36.2 2 18 A M - 0 0 132 1,-0.1 130,-0.2 132,-0.0 3,-0.1 -0.829 360.0 -84.1 -95.2 146.0 15.2 61.1 34.2 3 19 A A - 0 0 4 128,-1.9 132,-0.3 -2,-0.3 131,-0.2 -0.257 47.2-112.3 -46.5 125.4 13.7 59.1 31.3 4 20 A T E -a 135 0A 87 130,-2.1 132,-2.8 1,-0.1 2,-0.4 -0.469 38.5-110.2 -58.7 132.8 15.7 59.3 28.1 5 21 A L E -a 136 0A 82 130,-0.2 2,-0.5 -2,-0.1 132,-0.2 -0.598 26.8-153.2 -73.6 128.0 13.6 61.2 25.6 6 22 A L + 0 0 8 130,-2.9 132,-0.5 -2,-0.4 3,-0.1 -0.918 19.8 171.1-102.2 128.9 12.3 59.0 22.7 7 23 A E + 0 0 155 -2,-0.5 2,-0.3 130,-0.1 -1,-0.1 0.396 62.1 44.9-121.2 -2.0 11.7 61.0 19.6 8 24 A K > - 0 0 115 1,-0.1 4,-0.5 142,-0.0 -1,-0.1 -0.984 66.5-138.5-144.5 145.0 11.0 58.2 17.0 9 25 A G H > S+ 0 0 0 -2,-0.3 4,-2.1 1,-0.1 3,-0.3 0.786 91.8 75.2 -76.7 -26.4 8.9 55.0 17.1 10 26 A K H > S+ 0 0 86 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.915 93.8 52.9 -50.2 -49.6 11.5 52.7 15.3 11 27 A P H > S+ 0 0 54 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.890 109.0 50.5 -54.1 -42.2 13.7 52.4 18.5 12 28 A V H X S+ 0 0 0 -4,-0.5 4,-2.3 -3,-0.3 -2,-0.2 0.899 109.7 49.4 -61.0 -45.7 10.6 51.4 20.5 13 29 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.917 108.7 54.3 -56.6 -49.2 9.8 48.6 17.8 14 30 A N H X S+ 0 0 68 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.919 109.8 46.3 -54.7 -42.9 13.4 47.4 18.0 15 31 A M H X S+ 0 0 28 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.915 111.2 52.2 -68.6 -37.7 13.2 47.0 21.8 16 32 A I H < S+ 0 0 8 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.946 111.6 47.1 -60.9 -46.4 9.8 45.3 21.5 17 33 A K H < S+ 0 0 114 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.885 114.5 46.4 -64.7 -40.3 11.4 42.8 19.0 18 34 A K H < S+ 0 0 178 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.693 92.0 97.4 -74.5 -23.3 14.5 42.2 21.1 19 35 A A < - 0 0 20 -4,-1.6 74,-0.0 -3,-0.4 -3,-0.0 -0.336 69.0-140.1 -67.4 149.9 12.6 41.6 24.5 20 36 A K S S+ 0 0 180 1,-0.2 -1,-0.1 -2,-0.0 73,-0.0 0.946 93.7 6.4 -68.6 -48.3 11.9 38.1 25.6 21 37 A R S S- 0 0 49 2,-0.0 74,-0.7 25,-0.0 73,-0.5 -0.716 76.8-169.1-143.3 80.3 8.4 39.0 26.9 22 38 A P E -b 95 0A 7 0, 0.0 25,-2.0 0, 0.0 2,-0.4 -0.501 4.2-160.5 -77.6 145.1 7.1 42.5 26.2 23 39 A L E -bc 96 47A 0 72,-2.5 74,-3.5 23,-0.2 2,-0.6 -0.987 6.5-157.5-127.1 131.4 4.0 43.8 27.9 24 40 A L E -bc 97 48A 1 23,-3.2 25,-2.9 -2,-0.4 2,-0.6 -0.953 10.1-159.9-108.3 113.9 1.8 46.7 26.7 25 41 A I E -bc 98 49A 2 72,-3.6 74,-2.6 -2,-0.6 2,-0.6 -0.863 6.8-165.8 -95.7 124.7 -0.3 48.2 29.5 26 42 A V E -bc 99 50A 0 23,-3.3 25,-2.7 -2,-0.6 74,-0.2 -0.937 6.3-172.0-115.3 111.3 -3.2 50.2 28.2 27 43 A G - 0 0 2 72,-2.3 74,-0.2 -2,-0.6 25,-0.1 -0.304 38.7 -93.6 -88.6-176.3 -5.0 52.6 30.7 28 44 A P S S+ 0 0 43 0, 0.0 2,-1.9 0, 0.0 73,-0.2 0.532 99.4 89.5 -75.7 -15.5 -8.3 54.7 30.3 29 45 A D + 0 0 46 71,-2.5 2,-0.5 70,-0.1 71,-0.2 -0.478 61.7 129.2 -85.7 65.7 -6.7 58.0 29.2 30 46 A M - 0 0 10 -2,-1.9 2,-0.0 70,-0.1 -4,-0.0 -0.993 51.9-140.0-124.4 125.8 -6.9 57.1 25.4 31 47 A T > - 0 0 35 -2,-0.5 4,-2.5 1,-0.1 5,-0.1 -0.257 34.3-103.4 -68.4 163.8 -8.4 59.2 22.8 32 48 A D H > S+ 0 0 121 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.923 125.4 49.0 -52.2 -49.4 -10.4 57.5 20.0 33 49 A E H > S+ 0 0 62 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.873 108.4 53.5 -63.9 -35.7 -7.5 57.9 17.6 34 50 A M H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.933 105.4 54.5 -60.5 -42.7 -5.1 56.4 20.3 35 51 A F H X S+ 0 0 11 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.796 98.2 62.5 -65.6 -27.5 -7.4 53.4 20.6 36 52 A E H X S+ 0 0 49 -4,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.938 107.0 45.5 -58.1 -44.0 -7.2 52.8 16.8 37 53 A R H X S+ 0 0 16 -4,-1.2 4,-1.9 -3,-0.4 -2,-0.2 0.882 109.6 54.7 -61.6 -44.0 -3.4 52.2 17.3 38 54 A V H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.900 101.6 56.9 -62.6 -44.4 -4.0 50.0 20.3 39 55 A K H X S+ 0 0 64 -4,-2.5 4,-0.6 1,-0.2 3,-0.3 0.924 108.3 49.7 -47.3 -45.2 -6.4 47.7 18.4 40 56 A K H >< S+ 0 0 68 -4,-1.2 3,-1.0 1,-0.2 -2,-0.2 0.879 103.9 57.0 -68.0 -36.9 -3.5 47.2 15.9 41 57 A F H >< S+ 0 0 1 -4,-1.9 3,-2.3 1,-0.2 -1,-0.2 0.855 96.8 65.7 -56.0 -38.0 -1.0 46.4 18.7 42 58 A V H 3< S+ 0 0 5 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.791 99.2 52.9 -55.5 -28.8 -3.3 43.6 19.8 43 59 A E T << S+ 0 0 122 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.468 98.3 84.0 -88.5 -1.6 -2.5 41.9 16.5 44 60 A K S < S- 0 0 68 -3,-2.3 2,-1.8 -4,-0.2 111,-0.0 -0.469 99.2 -89.8 -97.7 171.3 1.3 42.1 17.1 45 61 A D S S+ 0 0 113 -2,-0.1 2,-0.3 113,-0.1 -3,-0.1 -0.551 91.6 103.0 -82.2 74.9 3.6 39.7 19.0 46 62 A I S S- 0 0 18 -2,-1.8 2,-0.5 -5,-0.2 -23,-0.2 -0.981 74.9-114.7-154.2 140.6 3.1 41.6 22.3 47 63 A T E -c 23 0A 34 -25,-2.0 -23,-3.2 -2,-0.3 2,-0.5 -0.716 33.1-156.0 -83.6 130.4 1.1 40.8 25.4 48 64 A V E -c 24 0A 6 -2,-0.5 20,-2.8 18,-0.3 2,-0.4 -0.905 12.6-176.5-111.3 129.9 -1.6 43.5 26.0 49 65 A V E -cd 25 68A 0 -25,-2.9 -23,-3.3 -2,-0.5 2,-0.4 -0.990 11.6-153.4-122.3 127.6 -3.2 44.3 29.4 50 66 A A E -cd 26 69A 0 18,-2.9 20,-1.8 -2,-0.4 2,-0.3 -0.798 11.1-152.3 -95.2 137.8 -6.1 46.8 29.7 51 67 A T E > - d 0 70A 8 -25,-2.7 3,-1.8 -2,-0.4 20,-0.2 -0.871 49.8 -37.6-114.3 150.4 -6.6 48.6 33.1 52 68 A G T > S+ 0 0 35 18,-1.0 3,-1.6 -2,-0.3 4,-0.3 -0.105 129.0 2.9 37.8-125.1 -9.8 50.0 34.5 53 69 A S T >> S+ 0 0 80 1,-0.3 3,-1.0 2,-0.2 4,-0.7 0.605 116.0 78.2 -64.7 -20.9 -12.1 51.5 32.0 54 70 A A H X> S+ 0 0 0 -3,-1.8 4,-1.4 1,-0.2 3,-0.5 0.814 81.1 69.7 -58.9 -36.1 -9.9 50.7 29.0 55 71 A I H <> S+ 0 0 20 -3,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.866 92.3 59.6 -51.4 -38.8 -11.2 47.1 29.1 56 72 A T H <> S+ 0 0 70 -3,-1.0 4,-2.8 -4,-0.3 -1,-0.2 0.887 100.8 53.4 -56.6 -43.9 -14.7 48.4 28.0 57 73 A R H S+ 0 0 0 -4,-1.4 5,-3.1 1,-0.2 6,-0.6 0.907 111.8 51.3 -66.9 -42.2 -11.7 46.3 23.9 59 75 A I H ><5S+ 0 0 91 -4,-2.4 3,-2.3 4,-0.3 5,-0.3 0.962 109.8 47.8 -56.6 -49.5 -14.9 44.6 24.7 60 76 A D H 3<5S+ 0 0 134 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.726 111.7 52.0 -69.5 -21.5 -17.0 46.9 22.4 61 77 A A T 3<5S- 0 0 39 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.379 117.7-115.8 -85.8 0.8 -14.4 46.3 19.7 62 78 A G T < 5S+ 0 0 66 -3,-2.3 -3,-0.2 -4,-0.2 3,-0.2 0.741 87.3 114.6 65.9 26.6 -14.8 42.6 20.2 63 79 A L > < + 0 0 25 -5,-3.1 3,-2.1 -6,-0.2 4,-0.4 0.234 34.5 110.1-109.9 12.5 -11.1 42.2 21.4 64 80 A G G > S+ 0 0 11 -6,-0.6 3,-1.0 1,-0.3 -1,-0.1 0.877 79.2 48.4 -56.2 -46.6 -12.1 41.1 24.9 65 81 A E G 3 S+ 0 0 171 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.333 107.8 57.6 -78.1 9.1 -10.9 37.6 24.3 66 82 A K G < S+ 0 0 104 -3,-2.1 2,-0.3 2,-0.1 -18,-0.3 0.312 104.0 54.4-119.4 -0.1 -7.5 38.9 22.9 67 83 A V S < S- 0 0 5 -3,-1.0 -18,-0.2 -4,-0.4 2,-0.2 -0.944 72.3-123.3-135.0 159.7 -6.4 41.0 25.9 68 84 A N E -d 49 0A 25 -20,-2.8 -18,-2.9 -2,-0.3 2,-0.3 -0.525 22.1-144.8 -91.5 164.1 -5.7 40.7 29.6 69 85 A Y E +d 50 0A 69 178,-2.1 2,-0.3 -20,-0.2 -18,-0.2 -0.983 24.0 158.0-128.9 148.3 -7.3 42.8 32.3 70 86 A A E -d 51 0A 12 -20,-1.8 -18,-1.0 -2,-0.3 2,-0.4 -0.980 44.6-112.2-157.8 160.0 -5.9 44.2 35.6 71 87 A V > - 0 0 48 -2,-0.3 4,-2.9 -20,-0.2 5,-0.3 -0.847 42.3-125.2 -89.3 132.9 -6.3 46.8 38.2 72 88 A L H > S+ 0 0 27 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.890 105.2 45.3 -56.1 -48.6 -3.2 49.1 37.8 73 89 A H H > S+ 0 0 132 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.878 115.0 49.5 -65.1 -35.0 -1.8 49.0 41.4 74 90 A E H > S+ 0 0 85 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.923 110.0 50.1 -66.1 -47.8 -2.4 45.2 41.6 75 91 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.908 109.6 52.8 -56.6 -39.3 -0.6 44.6 38.2 76 92 A T H X S+ 0 0 13 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.910 106.1 53.5 -66.6 -39.0 2.3 46.8 39.6 77 93 A Q H X S+ 0 0 130 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.950 110.7 45.4 -55.0 -50.5 2.5 44.6 42.6 78 94 A F H >< S+ 0 0 66 -4,-2.2 3,-0.6 1,-0.2 6,-0.3 0.900 110.6 54.1 -60.7 -44.5 2.8 41.4 40.5 79 95 A L H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.915 101.6 59.3 -59.0 -43.7 5.4 43.1 38.2 80 96 A L H 3< S+ 0 0 46 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.798 85.8 86.9 -55.4 -35.2 7.6 44.0 41.2 81 97 A D S X< S- 0 0 75 -4,-1.0 3,-1.7 -3,-0.6 36,-0.1 -0.580 70.6-153.8 -71.3 114.4 8.0 40.3 42.2 82 98 A P T 3 S+ 0 0 81 0, 0.0 10,-0.3 0, 0.0 -1,-0.2 0.790 94.6 52.6 -59.3 -23.8 11.0 39.0 40.1 83 99 A D T 3 S+ 0 0 142 8,-0.1 2,-0.1 -3,-0.0 -4,-0.1 0.316 76.2 130.6 -95.4 0.6 9.4 35.5 40.4 84 100 A W < - 0 0 22 -3,-1.7 -6,-0.0 -6,-0.3 6,-0.0 -0.431 52.9-145.2 -57.7 132.9 5.9 36.4 39.1 85 101 A K - 0 0 76 1,-0.2 6,-2.8 6,-0.1 5,-0.4 0.386 34.8-135.3 -80.4 -6.5 4.7 34.0 36.4 86 102 A G > - 0 0 7 3,-0.2 3,-1.0 1,-0.2 -1,-0.2 -0.057 42.0 -53.9 78.0-178.7 2.8 36.6 34.3 87 103 A F T 3 S+ 0 0 7 1,-0.2 -1,-0.2 4,-0.1 161,-0.1 0.813 139.6 44.0 -64.6 -32.8 -0.7 36.3 32.8 88 104 A D T 3 S- 0 0 20 3,-0.3 140,-2.2 -3,-0.2 -1,-0.2 0.348 108.9-116.2 -96.8 11.9 0.2 33.1 31.0 89 105 A G S < S+ 0 0 14 -3,-1.0 -3,-0.2 -4,-0.2 3,-0.1 0.547 92.5 102.2 68.5 5.4 2.1 31.3 33.8 90 106 A Q S S- 0 0 55 -5,-0.4 2,-0.2 1,-0.3 -4,-0.2 0.310 86.7 -69.5-108.7 11.2 5.3 31.5 31.7 91 107 A G - 0 0 19 -6,-2.8 -1,-0.3 -8,-0.0 -3,-0.3 -0.605 53.1 -58.3 133.9 171.2 7.2 34.4 33.3 92 108 A N - 0 0 26 -10,-0.3 2,-0.5 -2,-0.2 -13,-0.1 -0.171 56.6-101.5 -76.8 174.8 7.5 38.0 34.2 93 109 A Y - 0 0 2 1,-0.1 3,-0.1 -14,-0.1 28,-0.1 -0.928 22.2-165.2-107.0 126.1 7.8 40.7 31.5 94 110 A D S S+ 0 0 60 -2,-0.5 27,-2.8 -73,-0.5 2,-0.4 0.759 81.9 39.2 -84.5 -22.2 11.3 42.0 30.7 95 111 A L E -be 22 121A 6 -74,-0.7 -72,-2.5 25,-0.2 2,-0.5 -0.996 69.8-171.7-129.4 119.8 10.0 45.1 28.8 96 112 A V E -be 23 122A 0 25,-2.7 27,-3.1 -2,-0.4 2,-0.4 -0.971 2.2-167.7-114.0 126.0 6.9 47.0 30.0 97 113 A L E -be 24 123A 1 -74,-3.5 -72,-3.6 -2,-0.5 2,-0.5 -0.920 6.5-158.2-112.1 139.9 5.3 49.8 27.8 98 114 A M E +be 25 124A 2 25,-2.3 27,-2.7 -2,-0.4 2,-0.3 -0.975 19.1 157.7-124.8 127.9 2.7 52.1 29.2 99 115 A L E +b 26 0A 0 -74,-2.6 -72,-2.3 -2,-0.5 27,-0.1 -0.994 62.0 24.6-143.6 148.2 0.1 54.2 27.3 100 116 A G S S+ 0 0 0 -2,-0.3 -71,-2.5 1,-0.3 2,-0.2 0.619 79.3 156.4 80.3 11.9 -3.2 55.7 28.3 101 117 A S - 0 0 5 -74,-0.2 2,-0.5 -73,-0.2 -1,-0.3 -0.484 57.7-108.6 -70.2 140.0 -2.2 55.8 32.0 102 118 A I > - 0 0 88 -2,-0.2 4,-3.0 1,-0.2 5,-0.3 -0.606 43.9-124.9 -57.8 117.4 -3.9 58.3 34.3 103 119 A Y H > S+ 0 0 85 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.815 102.5 47.5 -43.2 -53.2 -0.7 60.4 34.5 104 120 A Y H > S+ 0 0 151 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.939 117.0 42.4 -59.9 -49.7 -0.4 60.4 38.3 105 121 A H H > S+ 0 0 100 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.911 113.4 51.6 -62.4 -44.9 -0.9 56.7 38.7 106 122 A G H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.888 108.7 53.1 -58.1 -40.1 1.3 55.8 35.7 107 123 A S H X S+ 0 0 15 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.917 109.9 47.6 -62.3 -44.6 4.0 58.0 37.2 108 124 A Q H X S+ 0 0 93 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.822 112.1 48.8 -66.8 -38.0 3.8 56.1 40.6 109 125 A M H X S+ 0 0 6 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.934 111.3 50.1 -66.3 -44.4 3.9 52.7 38.9 110 126 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.881 111.0 49.4 -62.7 -38.5 6.9 53.8 36.9 111 127 A A H X S+ 0 0 19 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.891 110.8 50.5 -64.8 -45.0 8.6 55.0 40.1 112 128 A A H X S+ 0 0 19 -4,-2.0 4,-2.9 2,-0.2 5,-0.5 0.922 112.4 46.0 -56.7 -50.7 7.8 51.6 41.8 113 129 A I H X S+ 0 0 2 -4,-2.8 4,-1.7 3,-0.2 7,-0.3 0.881 114.5 48.7 -61.7 -42.1 9.2 49.7 38.8 114 130 A K H < S+ 0 0 67 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.938 119.2 37.8 -63.9 -47.7 12.3 51.9 38.7 115 131 A N H < S+ 0 0 113 -4,-3.0 -2,-0.2 1,-0.1 -3,-0.2 0.882 134.0 18.7 -69.3 -38.7 13.0 51.6 42.5 116 132 A F H < S+ 0 0 137 -4,-2.9 -3,-0.2 -5,-0.2 3,-0.2 0.528 115.2 59.4-120.9 -14.7 12.0 48.0 43.1 117 133 A A >< + 0 0 1 -4,-1.7 3,-1.9 -5,-0.5 -1,-0.2 -0.555 40.7 157.8-125.5 73.3 12.1 46.1 39.8 118 134 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.746 75.6 72.4 -56.1 -27.3 15.6 46.2 38.1 119 135 A H T 3 S+ 0 0 64 -3,-0.2 2,-0.5 -39,-0.2 -2,-0.1 0.528 93.1 66.8 -64.3 -8.0 14.4 43.1 36.2 120 136 A I < - 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0 0 63 -2,-0.3 4,-2.5 -20,-0.2 5,-0.2 -0.842 39.7-125.4 -88.6 133.5 1.8 23.4 37.9 231 88 B L H > S+ 0 0 31 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.887 106.8 53.1 -58.5 -39.3 -1.3 21.2 38.5 232 89 B H H > S+ 0 0 153 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.933 112.2 43.5 -62.9 -46.7 -1.3 21.7 42.3 233 90 B E H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.883 111.9 55.2 -62.1 -42.3 -1.3 25.6 42.0 234 91 B L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.887 105.3 52.7 -58.8 -42.5 -3.9 25.3 39.2 235 92 B T H X S+ 0 0 24 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.902 109.2 49.6 -54.5 -47.2 -6.2 23.4 41.6 236 93 B Q H X S+ 0 0 130 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.924 111.7 47.2 -61.2 -47.0 -5.9 26.1 44.2 237 94 B F H >< S+ 0 0 48 -4,-2.2 3,-0.8 1,-0.2 6,-0.3 0.921 112.6 51.3 -60.2 -46.9 -6.7 28.9 41.6 238 95 B L H 3< S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.884 105.2 54.2 -58.2 -42.0 -9.7 26.8 40.4 239 96 B L H 3< S+ 0 0 49 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.717 89.0 90.4 -67.0 -22.9 -11.1 26.3 43.9 240 97 B D X< - 0 0 76 -4,-0.9 3,-2.0 -3,-0.8 36,-0.0 -0.659 65.5-160.7 -74.9 108.9 -11.1 30.1 44.4 241 98 B P T 3 S+ 0 0 85 0, 0.0 10,-0.3 0, 0.0 -1,-0.2 0.802 92.5 48.9 -64.6 -20.8 -14.5 31.2 43.2 242 99 B D T 3 S+ 0 0 139 8,-0.1 -4,-0.1 -3,-0.1 2,-0.1 0.219 78.3 134.4 -97.4 8.4 -13.0 34.8 42.9 243 100 B W < - 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