==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/SUBSTRATE 01-JUN-12 4FFN . COMPND 2 MOLECULE: PYLC; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA BARKERI; . AUTHOR F.QUITTERER,A.LIST,P.BECK,A.BACHER,M.GROLL . 354 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15245.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 22.0 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 30 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 1 0 0 1 1 2 2 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 1 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 . 1 1 4 1 1 1 2 1 0 1 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 1 1 0 0 0 0 0 1 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 M 0 0 185 0, 0.0 2,-0.3 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 132.8 8.3 -16.5 14.7 2 2 A K - 0 0 86 22,-0.3 24,-2.9 21,-0.2 2,-0.5 -0.683 360.0-144.3 -96.9 151.7 7.1 -14.6 17.8 3 3 A T E -a 26 0A 23 -2,-0.3 62,-2.6 22,-0.2 63,-0.8 -0.984 10.7-165.3-118.2 125.4 4.7 -11.8 17.8 4 4 A I E -ab 27 66A 1 22,-2.5 24,-3.2 -2,-0.5 2,-0.6 -0.902 8.5-150.6-105.3 133.4 5.1 -8.9 20.2 5 5 A C E -ab 28 67A 0 61,-2.6 63,-3.1 -2,-0.4 2,-0.5 -0.928 13.4-157.6-103.0 122.6 2.2 -6.5 20.8 6 6 A L E -ab 29 68A 0 22,-3.5 24,-2.9 -2,-0.6 2,-0.8 -0.868 9.8-155.3-102.8 131.1 3.3 -3.0 21.8 7 7 A V E S+ab 30 69A 6 61,-2.8 63,-3.3 -2,-0.5 24,-0.2 -0.858 74.5 43.0-103.1 97.1 1.1 -0.6 23.6 8 8 A G - 0 0 7 22,-2.1 23,-0.1 -2,-0.8 63,-0.1 -0.005 60.6-153.8 127.8 120.5 2.5 2.8 22.6 9 9 A G + 0 0 0 4,-0.1 29,-1.5 20,-0.1 30,-0.2 -0.036 64.6 79.2-112.7 29.4 3.7 4.1 19.2 10 10 A K S > S- 0 0 106 60,-0.5 4,-1.9 27,-0.2 5,-0.1 0.266 103.2 -43.1-106.2-125.4 6.2 6.7 19.9 11 11 A L H > S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 231,-0.2 0.898 136.6 47.0 -79.8 -46.4 9.9 6.6 20.8 12 12 A Q H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.970 116.3 49.2 -52.2 -51.8 9.8 3.8 23.4 13 13 A G H > S+ 0 0 0 57,-0.5 4,-2.7 1,-0.2 -2,-0.2 0.846 107.9 52.5 -57.5 -41.7 7.6 2.0 20.8 14 14 A F H X S+ 0 0 5 -4,-1.9 4,-4.2 2,-0.2 -1,-0.2 0.940 110.2 48.1 -58.8 -49.1 10.1 2.6 18.0 15 15 A E H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.936 114.4 44.9 -62.0 -50.5 13.0 1.2 20.0 16 16 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.908 117.1 47.1 -54.4 -44.9 11.1 -1.9 21.0 17 17 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.962 111.0 50.7 -65.8 -48.7 9.8 -2.3 17.5 18 18 A Y H X S+ 0 0 1 -4,-4.2 4,-1.3 1,-0.2 -2,-0.2 0.921 115.3 42.7 -52.1 -52.1 13.3 -1.8 16.0 19 19 A L H X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.766 108.7 57.9 -68.7 -29.9 14.7 -4.4 18.4 20 20 A S H <>S+ 0 0 0 -4,-2.4 5,-3.2 -5,-0.2 -1,-0.2 0.879 105.8 51.3 -65.2 -35.3 11.9 -6.9 17.9 21 21 A K H ><5S+ 0 0 69 -4,-2.1 3,-0.9 3,-0.2 -2,-0.2 0.874 105.7 54.0 -72.1 -34.5 12.6 -6.8 14.1 22 22 A K H 3<5S+ 0 0 62 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.813 110.0 47.7 -65.5 -30.9 16.3 -7.6 14.8 23 23 A A T 3<5S- 0 0 30 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.447 120.7-119.6 -85.0 -0.7 15.1 -10.6 16.8 24 24 A G T < 5 + 0 0 42 -3,-0.9 2,-0.3 1,-0.2 -22,-0.3 0.854 62.2 147.0 65.0 37.5 12.8 -11.3 13.8 25 25 A M < - 0 0 16 -5,-3.2 2,-0.3 -24,-0.1 -1,-0.2 -0.728 53.5-112.0 -93.7 151.3 9.6 -11.0 15.7 26 26 A K E -a 3 0A 61 -24,-2.9 -22,-2.5 -2,-0.3 2,-0.5 -0.649 33.4-140.8 -78.3 144.4 6.4 -9.7 14.1 27 27 A V E -a 4 0A 0 -2,-0.3 17,-1.6 -24,-0.2 16,-0.8 -0.933 17.5-172.7-119.1 118.3 5.4 -6.4 15.7 28 28 A V E -ac 5 44A 0 -24,-3.2 -22,-3.5 -2,-0.5 2,-0.4 -0.947 11.6-157.2-111.4 127.9 1.8 -5.4 16.4 29 29 A L E -ac 6 45A 0 15,-2.6 17,-3.5 -2,-0.5 2,-0.5 -0.893 11.4-171.4-111.8 133.2 1.1 -1.9 17.6 30 30 A V E +ac 7 46A 1 -24,-2.9 -22,-2.1 -2,-0.4 2,-0.3 -0.978 21.5 152.8-114.2 131.8 -1.8 -0.6 19.5 31 31 A D E - c 0 47A 24 15,-1.8 17,-0.7 -2,-0.5 5,-0.1 -0.953 44.7-139.0-158.9 141.3 -2.1 3.2 19.9 32 32 A K S S+ 0 0 113 -2,-0.3 17,-0.2 15,-0.2 15,-0.1 0.566 84.9 86.1 -78.1 -10.5 -5.1 5.5 20.4 33 33 A N > - 0 0 76 15,-0.2 3,-2.2 1,-0.1 15,-0.1 -0.836 65.6-156.2 -98.5 120.2 -3.6 8.0 18.0 34 34 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.786 101.2 50.6 -63.9 -26.1 -4.5 7.4 14.3 35 35 A Q T 3 S+ 0 0 107 -3,-0.1 4,-0.1 4,-0.0 -3,-0.1 0.043 81.4 165.1 -97.9 24.1 -1.3 9.4 13.5 36 36 A A X - 0 0 1 -3,-2.2 3,-2.0 1,-0.1 4,-0.2 -0.147 45.5-120.1 -38.7 128.3 0.8 7.3 15.9 37 37 A L T 3 S+ 0 0 6 1,-0.3 266,-1.8 265,-0.1 3,-0.3 0.780 108.0 32.8 -45.5 -43.7 4.5 8.0 15.1 38 38 A I T >> S+ 0 0 0 -29,-1.5 4,-2.3 1,-0.2 3,-1.7 0.117 79.7 124.3-106.5 19.5 5.5 4.4 14.1 39 39 A R T <4 S+ 0 0 36 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.778 81.4 38.2 -54.2 -33.5 2.2 3.4 12.7 40 40 A N T 34 S+ 0 0 109 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.478 109.3 63.0 -95.2 -8.0 3.7 2.4 9.4 41 41 A Y T <4 S+ 0 0 26 -3,-1.7 -2,-0.2 262,-0.2 -1,-0.1 0.871 89.4 80.1 -84.0 -40.4 6.8 0.9 10.9 42 42 A A S < S- 0 0 10 -4,-2.3 -14,-0.1 1,-0.1 3,-0.1 -0.302 83.9-127.6 -60.9 144.8 4.9 -1.8 12.8 43 43 A D S S+ 0 0 84 -16,-0.8 2,-0.3 1,-0.2 -15,-0.2 0.862 95.9 15.1 -57.6 -38.9 3.8 -4.9 10.9 44 44 A E E S-c 28 0A 41 -17,-1.6 -15,-2.6 2,-0.0 2,-0.4 -0.983 71.4-159.6-137.3 147.0 0.2 -4.4 12.1 45 45 A F E -c 29 0A 60 -2,-0.3 2,-0.6 -17,-0.2 -15,-0.2 -0.943 6.1-173.1-136.8 117.2 -1.5 -1.4 13.6 46 46 A Y E -c 30 0A 87 -17,-3.5 -15,-1.8 -2,-0.4 2,-1.0 -0.928 15.1-150.9-108.9 119.9 -4.6 -1.3 15.7 47 47 A C E +c 31 0A 60 -2,-0.6 2,-0.3 -17,-0.2 -15,-0.2 -0.789 46.2 111.5 -95.3 99.7 -5.9 2.2 16.5 48 48 A F - 0 0 13 -2,-1.0 2,-0.5 -17,-0.7 -15,-0.2 -0.971 66.6-109.3-160.5 153.1 -7.7 2.1 19.8 49 49 A D > - 0 0 31 -2,-0.3 4,-2.3 -17,-0.2 3,-0.1 -0.755 24.9-150.3 -83.7 125.8 -7.5 3.4 23.4 50 50 A V T 4 S+ 0 0 6 -2,-0.5 7,-0.2 1,-0.2 -1,-0.1 0.766 95.8 53.9 -72.7 -27.6 -6.9 0.3 25.6 51 51 A I T 4 S+ 0 0 59 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.857 114.7 41.9 -67.1 -41.5 -8.7 1.9 28.6 52 52 A K T 4 S+ 0 0 165 1,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.833 130.4 24.6 -72.9 -36.5 -11.8 2.5 26.5 53 53 A E >X + 0 0 68 -4,-2.3 3,-1.0 1,-0.1 4,-0.9 -0.492 67.7 157.2-131.7 61.2 -11.7 -0.9 24.7 54 54 A P H >> + 0 0 32 0, 0.0 4,-2.2 0, 0.0 3,-0.7 0.844 70.0 66.5 -59.7 -33.3 -9.9 -3.3 26.9 55 55 A E H 3> S+ 0 0 100 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.846 94.2 56.8 -58.5 -38.2 -11.5 -6.3 25.3 56 56 A K H <> S+ 0 0 93 -3,-1.0 4,-2.6 1,-0.2 -1,-0.3 0.885 110.2 46.1 -58.2 -37.6 -9.7 -5.7 22.0 57 57 A L H X S+ 0 0 114 -4,-2.4 3,-1.4 -5,-0.2 4,-0.5 0.949 108.0 48.7 -64.3 -51.7 -8.3 -10.4 22.5 60 60 A L H >< S+ 0 0 10 -4,-2.6 3,-1.7 1,-0.3 4,-0.3 0.860 104.7 64.2 -49.2 -36.0 -5.0 -9.5 20.8 61 61 A S H >< S+ 0 0 1 -4,-2.2 3,-0.6 1,-0.3 -1,-0.3 0.748 93.0 59.4 -67.2 -26.8 -3.4 -11.0 23.8 62 62 A K H << S+ 0 0 138 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.679 111.5 42.4 -72.8 -16.1 -4.8 -14.4 22.8 63 63 A R T << S+ 0 0 116 -3,-1.7 2,-0.3 -4,-0.5 -2,-0.2 0.312 105.1 68.3-117.6 12.4 -2.9 -14.1 19.6 64 64 A V S < S- 0 0 11 -3,-0.6 -60,-0.2 -4,-0.3 3,-0.1 -0.847 71.1-130.8-123.7 167.4 0.4 -12.7 20.6 65 65 A D S S- 0 0 52 -62,-2.6 2,-0.3 -2,-0.3 -61,-0.2 0.665 87.2 -4.6 -85.1 -17.1 3.4 -14.0 22.5 66 66 A A E -b 4 0A 0 -63,-0.8 -61,-2.6 23,-0.2 2,-0.5 -0.948 57.1-133.6-171.3 147.8 3.8 -11.0 24.8 67 67 A V E -bd 5 91A 1 23,-2.1 25,-2.0 -2,-0.3 -61,-0.2 -0.969 20.1-168.2-112.3 121.1 2.4 -7.5 25.5 68 68 A L E -b 6 0A 1 -63,-3.1 -61,-2.8 -2,-0.5 2,-0.4 -0.918 12.6-147.2-108.5 114.3 4.9 -4.8 26.0 69 69 A P E +b 7 0A 1 0, 0.0 170,-0.5 0, 0.0 -61,-0.2 -0.668 20.5 175.8 -70.5 131.7 3.6 -1.5 27.4 70 70 A V + 0 0 3 -63,-3.3 -60,-0.5 -2,-0.4 -57,-0.5 -0.567 44.3 84.0-135.7 69.3 5.7 1.3 25.9 71 71 A N - 0 0 28 -59,-0.1 168,-0.1 -63,-0.1 -64,-0.1 -0.937 63.5-140.6-155.8 170.1 4.2 4.6 27.1 72 72 A E + 0 0 62 -2,-0.3 2,-0.9 166,-0.0 3,-0.1 -0.070 55.5 131.7-129.9 24.2 4.4 6.7 30.2 73 73 A N >> - 0 0 57 1,-0.2 4,-2.4 2,-0.1 3,-0.8 -0.760 46.5-156.1 -82.5 108.4 0.7 7.6 30.4 74 74 A L H 3> S+ 0 0 40 -2,-0.9 4,-2.4 1,-0.3 5,-0.3 0.823 91.2 55.7 -64.2 -34.7 -0.0 6.8 34.0 75 75 A A H 3> S+ 0 0 55 2,-0.2 4,-2.1 3,-0.2 -1,-0.3 0.906 110.1 48.2 -57.8 -38.4 -3.7 6.3 33.4 76 76 A C H <> S+ 0 0 9 -3,-0.8 4,-3.3 1,-0.2 -2,-0.2 0.986 113.5 45.9 -68.9 -51.2 -2.7 3.7 30.8 77 77 A I H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.837 113.7 46.8 -57.1 -40.9 -0.3 1.9 33.1 78 78 A E H X S+ 0 0 107 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.929 113.8 50.1 -73.4 -39.6 -2.5 1.9 36.2 79 79 A F H X S+ 0 0 42 -4,-2.1 4,-1.0 -5,-0.3 3,-0.5 0.934 109.4 49.4 -61.0 -49.2 -5.3 0.6 34.0 80 80 A L H >X S+ 0 0 2 -4,-3.3 3,-1.1 1,-0.2 4,-0.9 0.927 109.1 55.9 -54.6 -43.4 -3.1 -2.1 32.5 81 81 A N H 3< S+ 0 0 54 -4,-2.5 3,-0.4 1,-0.3 4,-0.3 0.835 103.0 53.2 -55.6 -38.3 -2.2 -3.0 36.1 82 82 A S H 3< S+ 0 0 78 -4,-1.7 -1,-0.3 -3,-0.5 -2,-0.2 0.703 120.9 31.3 -75.0 -18.9 -5.8 -3.5 37.2 83 83 A I H X< S+ 0 0 14 -3,-1.1 3,-2.2 -4,-1.0 4,-0.3 0.266 84.5 107.9-117.5 5.9 -6.5 -5.9 34.3 84 84 A K G >< + 0 0 61 -4,-0.9 3,-1.9 -3,-0.4 -2,-0.1 0.887 69.6 65.9 -58.8 -38.8 -3.1 -7.6 33.9 85 85 A E G 3 S+ 0 0 141 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.558 96.1 60.3 -59.7 -6.5 -4.2 -10.9 35.4 86 86 A K G < S+ 0 0 133 -3,-2.2 -1,-0.3 2,-0.0 -2,-0.2 0.536 76.1 108.4-100.7 -7.6 -6.6 -11.4 32.4 87 87 A F < - 0 0 23 -3,-1.9 -29,-0.1 -4,-0.3 4,-0.1 -0.384 63.3-144.2 -65.0 147.3 -4.0 -11.4 29.6 88 88 A S S S+ 0 0 77 -30,-0.4 -1,-0.1 2,-0.1 -3,-0.1 0.039 84.5 46.0 -96.9 21.2 -3.4 -14.8 27.9 89 89 A C S S- 0 0 17 -26,-0.0 -23,-0.2 -22,-0.0 -24,-0.1 -0.954 102.1 -77.5-150.4 164.6 0.3 -13.9 27.5 90 90 A P - 0 0 43 0, 0.0 -23,-2.1 0, 0.0 2,-0.6 -0.280 34.6-140.3 -60.0 150.7 3.0 -12.4 29.7 91 91 A V B -d 67 0A 20 -25,-0.2 2,-2.1 2,-0.1 -23,-0.2 -0.988 13.8-142.8-114.0 116.2 2.9 -8.6 30.3 92 92 A L + 0 0 2 -25,-2.0 2,-0.3 -2,-0.6 126,-0.2 -0.519 62.4 98.9 -85.5 74.1 6.5 -7.5 30.1 93 93 A F - 0 0 16 -2,-2.1 2,-0.6 123,-0.1 -2,-0.1 -0.987 62.0-143.1-156.8 145.4 6.3 -4.9 32.9 94 94 A D > - 0 0 28 -2,-0.3 4,-2.1 143,-0.2 5,-0.1 -0.920 19.5-175.6-112.0 102.7 7.1 -4.4 36.5 95 95 A F H > S+ 0 0 25 -2,-0.6 4,-2.2 2,-0.2 -1,-0.1 0.846 81.5 49.1 -71.0 -40.6 4.3 -2.2 37.9 96 96 A E H > S+ 0 0 99 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.904 112.8 49.1 -62.1 -46.0 5.6 -1.7 41.5 97 97 A A H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 140,-0.2 0.911 110.3 51.6 -59.1 -42.9 9.0 -0.8 40.1 98 98 A Y H X S+ 0 0 8 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.927 103.6 59.3 -61.8 -41.3 7.3 1.7 37.8 99 99 A R H < S+ 0 0 95 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.879 112.4 37.5 -55.9 -41.2 5.5 3.1 40.7 100 100 A I H >< S+ 0 0 17 -4,-1.6 3,-0.6 2,-0.1 7,-0.5 0.914 117.0 52.8 -74.4 -39.9 8.8 4.0 42.5 101 101 A S H 3< S+ 0 0 0 -4,-2.7 134,-0.3 1,-0.2 -2,-0.2 0.860 100.9 55.6 -71.0 -38.0 10.6 5.0 39.3 102 102 A R T 3< S+ 0 0 59 -4,-2.7 2,-0.8 -5,-0.2 -1,-0.2 0.745 98.7 69.8 -67.6 -22.5 8.2 7.5 37.8 103 103 A D <> - 0 0 50 -3,-0.6 4,-2.9 -4,-0.5 5,-0.2 -0.858 69.8-162.2-100.0 110.6 8.3 9.6 41.0 104 104 A K H > S+ 0 0 18 29,-3.3 4,-1.6 -2,-0.8 -1,-0.2 0.846 89.1 48.4 -61.5 -37.5 11.7 11.2 41.3 105 105 A K H > S+ 0 0 76 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.905 113.1 48.3 -66.3 -45.0 11.4 12.1 45.0 106 106 A K H > S+ 0 0 79 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.939 109.4 53.1 -60.3 -48.2 10.3 8.5 45.8 107 107 A S H X S+ 0 0 0 -4,-2.9 4,-2.4 -7,-0.5 -1,-0.2 0.859 109.0 51.2 -54.5 -36.0 13.2 7.2 43.6 108 108 A K H X S+ 0 0 4 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.916 106.7 50.9 -74.8 -35.8 15.4 9.3 45.8 109 109 A D H X S+ 0 0 101 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.958 111.0 51.3 -57.6 -45.2 14.1 7.9 49.0 110 110 A Y H X S+ 0 0 26 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.929 108.1 50.8 -57.0 -45.8 14.7 4.5 47.5 111 111 A F H ><>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 3,-0.6 0.943 112.9 46.7 -57.7 -46.8 18.3 5.4 46.6 112 112 A K H ><5S+ 0 0 110 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.881 104.3 59.9 -62.8 -39.9 18.9 6.7 50.2 113 113 A S H 3<5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.761 112.5 39.8 -68.5 -21.0 17.3 3.6 51.8 114 114 A I T <<5S- 0 0 44 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.248 119.3-105.6-109.3 17.7 19.9 1.4 50.1 115 115 A G T < 5 + 0 0 64 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.737 66.7 147.9 73.1 27.8 22.9 3.7 50.5 116 116 A V < - 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