==== 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/PRODUCT 01-JUN-12 4FFP . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA BARKERI; . AUTHOR F.QUITTERER,A.LIST,P.BECK,A.BACHER,M.GROLL . 353 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15542.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 22.1 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 . 32 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 0 1 2 1 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 0 186 0, 0.0 2,-0.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 126.3 8.5 -16.4 14.8 2 2 A K - 0 0 95 21,-0.2 24,-2.4 22,-0.1 2,-0.4 -0.558 360.0-150.1 -89.7 154.2 7.4 -14.4 17.8 3 3 A T E -a 26 0A 18 22,-0.2 62,-2.7 -2,-0.2 63,-0.8 -0.997 8.3-161.7-123.5 136.8 5.0 -11.4 17.7 4 4 A I E -ab 27 66A 1 22,-2.4 24,-2.9 -2,-0.4 2,-0.6 -0.927 9.5-145.1-115.0 141.3 5.2 -8.6 20.2 5 5 A C E -ab 28 67A 0 61,-2.8 63,-3.1 -2,-0.4 2,-0.5 -0.947 14.4-158.2-105.3 121.3 2.4 -6.1 20.8 6 6 A L E -ab 29 68A 0 22,-3.1 24,-3.1 -2,-0.6 2,-0.9 -0.873 7.5-156.5 -96.4 126.3 3.6 -2.6 21.6 7 7 A V E S+ab 30 69A 6 61,-2.3 63,-3.0 -2,-0.5 24,-0.2 -0.855 75.1 37.6 -99.2 99.6 1.3 -0.2 23.5 8 8 A G - 0 0 7 22,-2.4 23,-0.1 -2,-0.9 22,-0.1 0.082 61.2-154.9 123.2 119.9 2.7 3.2 22.5 9 9 A G + 0 0 0 4,-0.1 29,-1.9 20,-0.1 30,-0.2 -0.170 62.7 84.0-121.6 40.9 4.1 4.3 19.2 10 10 A K S > S- 0 0 104 60,-0.5 4,-2.2 27,-0.2 5,-0.1 0.170 102.4 -38.6-109.7-128.7 6.4 7.1 19.9 11 11 A L H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 231,-0.2 0.913 139.3 41.6 -73.4 -44.3 10.1 7.1 20.9 12 12 A Q H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.908 115.4 53.6 -61.0 -46.8 10.0 4.1 23.3 13 13 A G H > S+ 0 0 0 57,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.880 107.9 50.6 -55.9 -42.6 7.8 2.4 20.8 14 14 A F H X S+ 0 0 5 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.942 110.0 48.0 -62.5 -49.3 10.3 3.0 18.1 15 15 A E H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.927 114.6 46.0 -57.4 -47.3 13.3 1.6 20.0 16 16 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.911 114.2 48.6 -63.5 -41.6 11.3 -1.5 21.0 17 17 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 5,-0.2 0.952 110.3 52.4 -62.8 -46.5 10.1 -2.0 17.4 18 18 A Y H X S+ 0 0 1 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.939 114.8 39.4 -53.9 -54.1 13.6 -1.6 16.0 19 19 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.823 112.0 58.2 -68.8 -33.2 15.1 -4.2 18.3 20 20 A S H <>S+ 0 0 0 -4,-2.3 5,-2.8 -5,-0.2 3,-0.3 0.943 108.1 47.0 -60.4 -47.3 12.0 -6.5 17.9 21 21 A K H ><5S+ 0 0 70 -4,-3.0 3,-1.9 1,-0.2 -2,-0.2 0.912 108.0 54.9 -60.6 -43.6 12.7 -6.5 14.1 22 22 A K H 3<5S+ 0 0 60 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.835 107.8 51.3 -56.0 -31.9 16.4 -7.2 14.7 23 23 A A T 3<5S- 0 0 28 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.394 121.5-110.9 -83.1 0.5 15.3 -10.2 16.7 24 24 A G T < 5 + 0 0 46 -3,-1.9 2,-0.2 1,-0.2 -3,-0.2 0.689 69.5 141.8 78.4 19.8 13.1 -11.3 13.8 25 25 A M < - 0 0 16 -5,-2.8 2,-0.3 -6,-0.1 -1,-0.2 -0.617 54.4-117.3 -94.8 152.5 9.7 -10.7 15.5 26 26 A K E -a 3 0A 59 -24,-2.4 -22,-2.4 -2,-0.2 2,-0.6 -0.706 30.3-140.1 -78.5 143.5 6.6 -9.3 14.0 27 27 A V E -a 4 0A 0 -2,-0.3 16,-1.9 -24,-0.2 17,-1.4 -0.900 17.5-173.9-117.7 115.3 5.6 -6.0 15.6 28 28 A V E -ac 5 44A 0 -24,-2.9 -22,-3.1 -2,-0.6 2,-0.5 -0.923 13.6-157.1-104.5 127.5 2.0 -5.1 16.3 29 29 A L E -ac 6 45A 0 15,-3.0 17,-3.0 -2,-0.5 2,-0.5 -0.876 11.8-169.5-109.7 133.4 1.4 -1.6 17.5 30 30 A V E +ac 7 46A 1 -24,-3.1 -22,-2.4 -2,-0.5 2,-0.3 -0.983 21.6 153.2-109.3 130.3 -1.5 -0.3 19.5 31 31 A D E - c 0 47A 23 15,-1.8 17,-0.7 -2,-0.5 5,-0.1 -0.982 43.6-142.0-153.9 140.9 -1.8 3.5 19.8 32 32 A K S S+ 0 0 117 -2,-0.3 17,-0.2 15,-0.2 15,-0.1 0.624 84.6 86.6 -77.1 -10.7 -4.8 5.9 20.4 33 33 A N > - 0 0 73 15,-0.2 3,-2.0 1,-0.1 15,-0.1 -0.798 65.3-157.7 -95.6 116.2 -3.2 8.4 18.0 34 34 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 13,-0.0 0.785 100.8 49.9 -66.5 -20.7 -4.1 7.8 14.3 35 35 A Q T 3 S+ 0 0 108 -3,-0.1 -3,-0.1 4,-0.0 -2,-0.0 -0.066 83.0 163.3 -94.0 30.0 -1.0 9.8 13.5 36 36 A A X - 0 0 0 -3,-2.0 3,-1.8 1,-0.1 4,-0.2 -0.226 47.1-118.8 -58.2 138.2 1.2 7.7 15.9 37 37 A L T 3 S+ 0 0 5 1,-0.3 266,-2.0 2,-0.1 3,-0.3 0.829 106.7 31.3 -51.5 -40.3 4.8 8.4 15.1 38 38 A I T >> S+ 0 0 0 -29,-1.9 4,-2.1 1,-0.2 3,-1.2 0.147 77.9 121.8-109.1 22.1 5.8 4.8 14.1 39 39 A R T <4 S+ 0 0 39 -3,-1.8 -1,-0.2 1,-0.3 -10,-0.1 0.817 81.4 43.5 -53.9 -30.9 2.5 3.7 12.8 40 40 A N T 34 S+ 0 0 107 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.608 107.9 59.2 -93.8 -13.3 4.1 2.9 9.4 41 41 A Y T <4 S+ 0 0 23 -3,-1.2 -2,-0.2 262,-0.2 -1,-0.2 0.834 91.9 80.3 -81.8 -37.2 7.2 1.2 10.9 42 42 A A S < S- 0 0 12 -4,-2.1 -14,-0.2 1,-0.1 3,-0.1 -0.238 84.1-126.6 -66.7 160.6 5.2 -1.5 12.7 43 43 A D S S+ 0 0 87 -16,-1.9 2,-0.3 1,-0.3 -15,-0.2 0.770 94.9 16.2 -79.0 -32.5 3.9 -4.5 10.8 44 44 A E E S-c 28 0A 46 -17,-1.4 -15,-3.0 2,-0.0 2,-0.5 -0.983 70.6-157.1-140.6 144.3 0.3 -4.0 12.0 45 45 A F E -c 29 0A 62 -2,-0.3 2,-0.5 -17,-0.2 -15,-0.2 -0.984 6.6-173.8-129.8 117.6 -1.3 -0.9 13.5 46 46 A Y E -c 30 0A 90 -17,-3.0 -15,-1.8 -2,-0.5 2,-0.9 -0.967 13.8-152.5-108.4 119.7 -4.4 -0.9 15.6 47 47 A C E +c 31 0A 65 -2,-0.5 2,-0.3 -17,-0.2 -15,-0.2 -0.805 45.4 111.0 -95.6 101.4 -5.7 2.5 16.5 48 48 A F - 0 0 11 -2,-0.9 2,-0.6 -17,-0.7 -15,-0.2 -0.957 66.9-110.0-160.3 159.6 -7.6 2.5 19.8 49 49 A D > - 0 0 27 -2,-0.3 4,-2.1 -17,-0.2 3,-0.4 -0.859 24.4-149.8 -94.3 119.4 -7.2 3.7 23.3 50 50 A V T 4 S+ 0 0 5 -2,-0.6 7,-0.2 1,-0.3 -1,-0.1 0.760 96.0 55.9 -68.7 -25.3 -6.6 0.7 25.5 51 51 A I T 4 S+ 0 0 58 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.846 113.5 40.9 -71.9 -33.8 -8.4 2.4 28.5 52 52 A K T 4 S+ 0 0 163 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.819 131.3 23.7 -82.0 -30.1 -11.5 2.9 26.4 53 53 A E >X + 0 0 67 -4,-2.1 4,-0.8 1,-0.1 3,-0.7 -0.504 66.6 156.3-135.6 62.9 -11.5 -0.4 24.7 54 54 A P H >> + 0 0 30 0, 0.0 4,-2.7 0, 0.0 3,-0.6 0.836 68.8 69.1 -66.6 -29.6 -9.6 -2.9 26.8 55 55 A E H 3> S+ 0 0 105 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.910 96.0 55.5 -55.3 -36.9 -11.4 -5.9 25.3 56 56 A K H <> S+ 0 0 92 -3,-0.7 4,-2.2 1,-0.2 -1,-0.3 0.891 110.4 44.1 -62.9 -37.3 -9.5 -5.2 22.0 57 57 A L H < S+ 0 0 125 -4,-3.1 3,-1.4 -5,-0.2 4,-0.3 0.932 108.7 51.0 -59.5 -47.4 -8.2 -10.1 22.4 60 60 A L H >< S+ 0 0 14 -4,-2.2 3,-2.2 1,-0.2 4,-0.3 0.853 99.8 65.2 -53.9 -37.2 -4.8 -9.2 20.9 61 61 A S H >< S+ 0 0 2 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.735 92.8 63.3 -61.0 -21.7 -3.1 -10.8 23.8 62 62 A K T << S+ 0 0 134 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.638 109.5 38.2 -78.4 -12.1 -4.5 -14.1 22.7 63 63 A R T < S+ 0 0 99 -3,-2.2 2,-0.3 -4,-0.3 -1,-0.2 0.234 106.3 62.9-129.2 20.2 -2.5 -13.9 19.5 64 64 A V S < S- 0 0 11 -3,-0.5 -60,-0.2 -4,-0.3 3,-0.1 -0.875 74.7-124.4-131.0 171.3 0.9 -12.4 20.3 65 65 A D S S+ 0 0 64 -62,-2.7 2,-0.3 -2,-0.3 -61,-0.2 0.698 86.1 0.3 -91.8 -21.8 3.7 -13.7 22.5 66 66 A A E -b 4 0A 0 -63,-0.8 -61,-2.8 23,-0.2 2,-0.5 -0.969 56.6-136.9-161.4 151.9 4.1 -10.6 24.7 67 67 A V E -bd 5 91A 0 23,-2.1 25,-2.6 -2,-0.3 -61,-0.2 -0.980 21.0-168.7-112.4 127.7 2.6 -7.2 25.4 68 68 A L E -b 6 0A 1 -63,-3.1 -61,-2.3 -2,-0.5 2,-0.4 -0.959 14.1-144.5-120.4 110.3 5.1 -4.4 26.1 69 69 A P E +b 7 0A 1 0, 0.0 170,-0.5 0, 0.0 -61,-0.2 -0.649 21.5 176.1 -68.9 128.9 3.8 -1.1 27.4 70 70 A V + 0 0 4 -63,-3.0 -60,-0.5 -2,-0.4 -57,-0.4 -0.532 46.4 80.7-135.6 64.3 6.0 1.6 25.8 71 71 A N - 0 0 28 -59,-0.1 168,-0.1 -62,-0.1 -64,-0.1 -0.940 65.1-139.2-154.5 166.4 4.4 4.9 27.0 72 72 A E + 0 0 63 -2,-0.3 2,-1.0 166,-0.0 3,-0.1 -0.146 53.7 134.8-124.6 31.8 4.6 6.9 30.2 73 73 A N >> - 0 0 58 1,-0.2 4,-2.6 2,-0.1 3,-0.5 -0.742 44.4-157.0 -80.1 108.1 0.9 7.8 30.3 74 74 A L H 3> S+ 0 0 50 -2,-1.0 4,-2.8 1,-0.3 5,-0.3 0.888 91.3 54.8 -61.9 -36.6 0.3 7.1 34.0 75 75 A A H 3> S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.920 111.6 46.4 -57.0 -43.5 -3.5 6.6 33.4 76 76 A C H <> S+ 0 0 6 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.966 114.3 46.4 -62.5 -52.3 -2.6 3.9 30.8 77 77 A I H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.937 114.6 45.9 -60.2 -46.9 0.0 2.2 33.0 78 78 A E H X S+ 0 0 114 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.911 112.6 51.1 -66.4 -37.4 -2.2 2.1 36.1 79 79 A F H X S+ 0 0 44 -4,-2.1 4,-1.0 -5,-0.3 -1,-0.2 0.914 109.9 49.8 -63.1 -43.5 -5.2 0.9 34.0 80 80 A L H >X S+ 0 0 1 -4,-2.8 3,-0.8 1,-0.2 4,-0.6 0.914 107.6 54.5 -62.6 -41.7 -3.0 -1.9 32.6 81 81 A N H >< S+ 0 0 57 -4,-2.6 3,-0.9 1,-0.2 4,-0.3 0.913 104.9 55.2 -49.8 -46.6 -1.9 -2.8 36.1 82 82 A S H 3< S+ 0 0 75 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.724 118.9 30.9 -62.6 -24.7 -5.6 -3.1 37.0 83 83 A I H X< S+ 0 0 17 -4,-1.0 3,-1.7 -3,-0.8 4,-0.3 0.230 82.9 111.4-118.7 12.2 -6.3 -5.7 34.2 84 84 A K G X< S+ 0 0 71 -3,-0.9 3,-1.4 -4,-0.6 -2,-0.1 0.802 70.1 62.9 -63.9 -24.6 -3.0 -7.4 33.9 85 85 A E G 3 S+ 0 0 138 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.712 96.6 61.9 -73.5 -16.4 -4.3 -10.8 35.3 86 86 A K G < S+ 0 0 136 -3,-1.7 -1,-0.3 2,-0.0 2,-0.2 0.483 79.3 109.4 -86.1 -4.7 -6.7 -11.0 32.4 87 87 A F < - 0 0 22 -3,-1.4 4,-0.1 -4,-0.3 -29,-0.1 -0.480 60.2-147.6 -77.0 147.1 -4.0 -11.1 29.7 88 88 A S S S+ 0 0 67 -30,-0.4 -1,-0.1 -2,-0.2 -3,-0.0 0.255 83.7 38.9 -93.3 10.8 -3.3 -14.3 27.7 89 89 A C S S- 0 0 14 -26,-0.0 -23,-0.2 -22,-0.0 -24,-0.1 -0.936 103.2 -75.6-145.2 166.9 0.4 -13.6 27.3 90 90 A P - 0 0 46 0, 0.0 -23,-2.1 0, 0.0 2,-0.6 -0.356 35.1-138.3 -63.3 141.6 3.0 -12.1 29.6 91 91 A V B -d 67 0A 17 -25,-0.2 2,-1.9 2,-0.1 -23,-0.2 -0.956 16.2-142.5 -96.5 116.6 2.9 -8.3 30.2 92 92 A L + 0 0 3 -25,-2.6 2,-0.3 -2,-0.6 126,-0.1 -0.487 62.5 96.6 -83.3 75.4 6.7 -7.3 30.1 93 93 A F - 0 0 16 -2,-1.9 2,-0.6 123,-0.1 -2,-0.1 -0.993 64.6-137.7-159.4 148.6 6.5 -4.6 32.8 94 94 A D > - 0 0 26 -2,-0.3 4,-2.1 143,-0.3 5,-0.2 -0.903 18.8-174.4-113.2 101.8 7.2 -4.1 36.5 95 95 A F H > S+ 0 0 21 -2,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.890 82.8 48.0 -69.6 -37.7 4.4 -2.0 37.9 96 96 A E H > S+ 0 0 121 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.933 111.6 49.9 -67.7 -41.0 5.8 -1.6 41.4 97 97 A A H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 140,-0.2 0.918 110.0 52.8 -61.4 -39.8 9.3 -0.6 40.0 98 98 A Y H X S+ 0 0 9 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.882 101.4 59.5 -64.0 -35.8 7.6 2.0 37.7 99 99 A R H < S+ 0 0 99 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.874 114.2 37.2 -61.2 -37.5 5.7 3.5 40.7 100 100 A I H >< S+ 0 0 19 -4,-1.4 3,-0.9 -3,-0.2 7,-0.4 0.933 117.2 49.0 -79.2 -48.7 9.0 4.3 42.3 101 101 A S H 3< S+ 0 0 0 -4,-2.8 134,-0.3 1,-0.2 -2,-0.2 0.856 103.8 60.9 -66.1 -31.6 11.0 5.2 39.2 102 102 A R T 3< S+ 0 0 60 -4,-2.8 2,-0.6 -5,-0.2 -1,-0.2 0.774 97.4 62.8 -68.3 -21.8 8.4 7.6 37.8 103 103 A D S <> S- 0 0 48 -3,-0.9 4,-2.3 -4,-0.4 31,-0.2 -0.904 72.0-156.5-109.6 114.2 8.5 9.9 40.7 104 104 A K H > S+ 0 0 17 29,-3.1 4,-1.7 -2,-0.6 -1,-0.1 0.818 91.4 49.3 -64.4 -33.0 12.0 11.5 41.1 105 105 A K H > S+ 0 0 64 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.881 111.0 48.7 -69.6 -43.9 11.6 12.3 44.9 106 106 A K H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.902 110.7 52.7 -61.7 -38.3 10.4 8.8 45.7 107 107 A S H X S+ 0 0 2 -4,-2.3 4,-2.9 -7,-0.4 -2,-0.2 0.899 107.3 52.0 -61.9 -43.1 13.4 7.4 43.6 108 108 A K H X S+ 0 0 3 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.883 108.6 49.6 -65.0 -36.3 15.8 9.6 45.6 109 109 A D H X S+ 0 0 103 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.888 110.5 51.5 -66.5 -36.3 14.4 8.2 48.9 110 110 A Y H X S+ 0 0 25 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.960 109.0 50.2 -65.5 -45.1 14.8 4.8 47.5 111 111 A F H ><>S+ 0 0 0 -4,-2.9 5,-2.9 1,-0.2 3,-0.9 0.934 112.7 47.0 -56.2 -48.7 18.5 5.6 46.6 112 112 A K H ><5S+ 0 0 110 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.869 104.2 60.9 -61.2 -39.3 19.1 6.8 50.1 113 113 A S H 3<5S+ 0 0 87 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.748 112.1 39.3 -66.3 -20.6 17.5 3.8 51.6 114 114 A I T <<5S- 0 0 48 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.330 118.8-106.1-111.7 12.4 20.1 1.6 50.0 115 115 A G T < 5 + 0 0 66 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.757 66.5 149.6 79.8 24.9 23.1 3.9 50.5 116 116 A V < - 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