==== 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 01-JUN-12 4FFR . COMPND 2 MOLECULE: PYLC; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA BARKERI; . AUTHOR F.QUITTERER,A.LIST,P.BECK,A.BACHER,M.GROLL . 347 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15416.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 22.5 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 0.9 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 . 31 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 2 1 1 2 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 X 0 0 186 0, 0.0 2,-0.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 130.6 8.4 -16.4 14.9 2 2 A K - 0 0 93 22,-0.2 24,-2.7 62,-0.0 2,-0.4 -0.608 360.0-147.8 -93.5 153.6 7.2 -14.3 17.8 3 3 A T E -a 26 0A 26 22,-0.2 62,-2.6 -2,-0.2 63,-0.8 -0.990 9.1-161.2-122.4 130.3 4.9 -11.3 17.7 4 4 A I E -ab 27 66A 3 22,-2.9 24,-3.1 -2,-0.4 2,-0.6 -0.902 7.6-148.3-109.4 137.1 5.2 -8.4 20.2 5 5 A C E -ab 28 67A 0 61,-2.8 63,-3.3 -2,-0.4 2,-0.5 -0.938 13.6-160.7-104.6 121.2 2.4 -5.9 20.9 6 6 A L E -ab 29 68A 0 22,-3.3 24,-3.0 -2,-0.6 2,-0.8 -0.863 9.5-156.2-101.5 129.1 3.5 -2.4 21.7 7 7 A V E S+ab 30 69A 6 61,-2.4 63,-3.0 -2,-0.5 24,-0.2 -0.875 75.1 38.0-102.1 99.1 1.2 0.0 23.5 8 8 A G - 0 0 8 22,-2.4 23,-0.1 -2,-0.8 22,-0.1 0.073 61.0-155.0 124.2 121.0 2.6 3.4 22.5 9 9 A G + 0 0 0 4,-0.1 29,-1.9 20,-0.1 30,-0.2 -0.137 62.5 86.4-120.4 37.3 4.1 4.5 19.1 10 10 A K S > S- 0 0 107 60,-0.5 4,-2.3 27,-0.2 5,-0.1 0.079 103.0 -42.9-105.3-135.8 6.4 7.3 19.8 11 11 A L H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 233,-0.2 0.872 137.7 46.9 -71.5 -39.2 10.2 7.1 20.8 12 12 A Q H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.926 114.5 50.4 -60.2 -45.3 10.0 4.3 23.3 13 13 A G H > S+ 0 0 0 57,-0.4 4,-2.8 1,-0.2 -2,-0.2 0.875 107.9 52.4 -61.7 -41.5 7.8 2.4 20.8 14 14 A F H X S+ 0 0 4 -4,-2.3 4,-3.3 2,-0.2 -1,-0.2 0.941 109.8 48.4 -59.6 -48.4 10.4 3.0 18.0 15 15 A E H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.921 114.9 44.8 -58.5 -46.9 13.2 1.6 20.1 16 16 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.892 115.1 48.2 -63.6 -42.0 11.2 -1.5 21.0 17 17 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.934 110.7 52.1 -64.3 -47.0 10.0 -1.9 17.4 18 18 A Y H X S+ 0 0 1 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.931 114.6 40.6 -53.4 -53.6 13.6 -1.5 16.1 19 19 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.824 111.2 57.0 -70.5 -31.6 15.0 -4.2 18.4 20 20 A S H <>S+ 0 0 0 -4,-2.2 5,-2.7 2,-0.2 -1,-0.2 0.925 108.0 49.0 -61.9 -43.3 12.1 -6.5 18.0 21 21 A K H ><5S+ 0 0 74 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.902 107.5 53.4 -61.2 -44.1 12.8 -6.4 14.2 22 22 A K H 3<5S+ 0 0 60 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.819 108.1 52.7 -57.9 -31.5 16.5 -7.1 14.9 23 23 A A T 3<5S- 0 0 25 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.381 120.8-112.0 -85.5 2.0 15.2 -10.1 16.9 24 24 A G T < 5 + 0 0 43 -3,-1.9 2,-0.3 1,-0.2 -22,-0.2 0.758 69.3 143.8 72.0 27.5 13.1 -11.3 13.9 25 25 A X < - 0 0 18 -5,-2.7 2,-0.3 -8,-0.1 -1,-0.2 -0.697 54.0-116.9 -98.6 149.8 9.8 -10.6 15.6 26 26 A K E -a 3 0A 70 -24,-2.7 -22,-2.9 -2,-0.3 2,-0.6 -0.675 30.2-141.4 -78.1 138.8 6.6 -9.2 14.2 27 27 A V E -a 4 0A 0 -2,-0.3 16,-1.8 -24,-0.2 17,-1.7 -0.918 16.6-173.2-112.5 116.8 5.6 -5.8 15.6 28 28 A V E -ac 5 44A 1 -24,-3.1 -22,-3.3 -2,-0.6 2,-0.4 -0.941 13.0-155.9-106.0 123.3 2.0 -5.0 16.3 29 29 A L E -ac 6 45A 0 15,-3.3 17,-2.9 -2,-0.5 2,-0.4 -0.867 11.1-171.2-102.4 133.5 1.4 -1.3 17.4 30 30 A V E +ac 7 46A 0 -24,-3.0 -22,-2.4 -2,-0.4 2,-0.3 -0.990 22.1 151.5-114.2 129.0 -1.5 -0.1 19.4 31 31 A D E - c 0 47A 23 15,-1.6 17,-0.6 -2,-0.4 5,-0.1 -0.956 45.4-140.5-157.0 141.1 -1.8 3.7 19.7 32 32 A K S S+ 0 0 121 -2,-0.3 17,-0.2 15,-0.2 15,-0.1 0.649 84.4 87.4 -75.5 -16.9 -4.8 6.1 20.2 33 33 A N > - 0 0 82 15,-0.1 3,-1.8 1,-0.1 15,-0.1 -0.770 69.6-151.5 -88.3 116.5 -3.3 8.6 17.7 34 34 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 13,-0.0 0.750 101.2 40.9 -60.3 -24.0 -4.3 7.8 14.1 35 35 A Q T 3 S+ 0 0 135 -3,-0.0 -3,-0.1 4,-0.0 -2,-0.0 -0.250 84.3 168.4-117.7 46.6 -1.0 9.4 13.0 36 36 A A X - 0 0 0 -3,-1.8 3,-1.9 -5,-0.1 4,-0.2 -0.281 46.9-108.9 -54.8 141.9 1.2 7.9 15.7 37 37 A L T 3 S+ 0 0 7 1,-0.3 268,-1.8 2,-0.1 3,-0.3 0.782 112.1 32.3 -49.0 -44.9 4.9 8.5 15.0 38 38 A I T >> S+ 0 0 0 -29,-1.9 4,-2.0 266,-0.2 3,-0.9 0.141 78.4 120.9-105.5 19.9 5.9 4.9 14.1 39 39 A R T <4 S+ 0 0 48 -3,-1.9 -1,-0.2 1,-0.3 -10,-0.1 0.824 81.8 41.8 -53.2 -38.1 2.5 3.7 12.6 40 40 A N T 34 S+ 0 0 108 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.643 109.2 59.6 -85.5 -17.2 4.2 2.8 9.2 41 41 A Y T <4 S+ 0 0 20 -3,-0.9 -2,-0.2 264,-0.3 -1,-0.2 0.840 92.4 79.7 -79.1 -36.0 7.3 1.3 10.9 42 42 A A S < S- 0 0 11 -4,-2.0 -14,-0.2 1,-0.1 3,-0.1 -0.279 83.1-129.7 -66.3 157.3 5.2 -1.4 12.7 43 43 A D S S+ 0 0 88 -16,-1.8 2,-0.3 1,-0.3 -15,-0.2 0.819 94.9 18.1 -78.6 -34.1 4.0 -4.4 10.8 44 44 A E E -c 28 0A 45 -17,-1.7 -15,-3.3 2,-0.0 2,-0.4 -0.992 69.9-160.7-136.0 144.2 0.4 -3.9 12.0 45 45 A F E -c 29 0A 61 -2,-0.3 2,-0.5 -17,-0.2 -15,-0.2 -0.989 5.7-175.3-129.0 122.9 -1.2 -0.8 13.4 46 46 A Y E -c 30 0A 82 -17,-2.9 -15,-1.6 -2,-0.4 2,-0.9 -0.975 15.6-150.5-117.0 116.6 -4.4 -0.8 15.5 47 47 A C E +c 31 0A 62 -2,-0.5 2,-0.3 -17,-0.2 -15,-0.2 -0.782 46.0 108.8 -94.0 103.5 -5.7 2.7 16.4 48 48 A F - 0 0 14 -2,-0.9 2,-0.6 -17,-0.6 -15,-0.1 -0.970 67.3-105.8-160.5 163.1 -7.6 2.7 19.6 49 49 A D > - 0 0 28 -2,-0.3 4,-2.7 -17,-0.2 3,-0.3 -0.868 23.7-150.8 -95.5 121.1 -7.4 3.9 23.2 50 50 A V T 4 S+ 0 0 6 -2,-0.6 7,-0.2 1,-0.2 -1,-0.1 0.762 96.3 53.7 -66.6 -25.5 -6.7 0.9 25.5 51 51 A I T 4 S+ 0 0 58 2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.864 114.8 40.5 -72.8 -38.9 -8.5 2.6 28.4 52 52 A K T 4 S+ 0 0 169 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.1 0.842 130.9 25.7 -77.7 -36.5 -11.6 3.2 26.3 53 53 A E >X + 0 0 74 -4,-2.7 3,-1.1 1,-0.1 4,-0.9 -0.495 66.7 157.7-130.4 63.2 -11.6 -0.2 24.5 54 54 A P H 3> S+ 0 0 38 0, 0.0 4,-2.6 0, 0.0 3,-0.3 0.809 70.1 66.1 -60.8 -33.1 -9.8 -2.7 26.8 55 55 A E H 3> S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.830 96.2 57.5 -58.6 -32.9 -11.4 -5.7 25.1 56 56 A K H <> S+ 0 0 88 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.912 110.6 42.6 -62.2 -44.3 -9.6 -4.9 21.9 57 57 A L H X S+ 0 0 0 -4,-0.9 4,-1.9 -3,-0.3 -2,-0.2 0.905 112.8 52.5 -68.8 -42.3 -6.3 -5.1 23.6 58 58 A L H < S+ 0 0 33 -4,-2.6 4,-0.4 2,-0.2 30,-0.4 0.887 110.0 49.3 -61.0 -38.9 -7.3 -8.3 25.6 59 59 A E H >< S+ 0 0 112 -4,-2.4 3,-1.3 1,-0.2 4,-0.4 0.906 108.7 52.9 -65.8 -41.9 -8.3 -9.9 22.3 60 60 A L H >X S+ 0 0 9 -4,-1.9 3,-1.9 1,-0.2 4,-0.6 0.852 98.7 64.7 -58.2 -36.5 -4.9 -8.9 20.8 61 61 A S T 3< S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.682 95.3 59.3 -63.4 -18.9 -3.2 -10.6 23.8 62 62 A K T <4 S+ 0 0 135 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.646 110.1 42.2 -78.5 -17.8 -4.6 -13.9 22.6 63 63 A R T <4 S+ 0 0 148 -3,-1.9 2,-0.3 -4,-0.4 -2,-0.2 0.378 109.2 61.7-112.2 -1.5 -2.8 -13.5 19.2 64 64 A V S < S- 0 0 11 -4,-0.6 -60,-0.2 -3,-0.1 3,-0.1 -0.848 72.8-129.7-126.8 164.5 0.6 -12.2 20.3 65 65 A D S S+ 0 0 63 -62,-2.6 2,-0.3 -2,-0.3 -61,-0.2 0.683 86.5 0.4 -89.1 -19.7 3.5 -13.5 22.5 66 66 A A E -b 4 0A 0 -63,-0.8 -61,-2.8 23,-0.2 2,-0.5 -0.965 57.2-136.8-164.4 149.9 3.8 -10.4 24.8 67 67 A V E -bd 5 91A 0 23,-2.4 25,-2.5 -2,-0.3 -61,-0.2 -0.972 20.8-168.2-111.9 126.3 2.4 -7.0 25.4 68 68 A L E -b 6 0A 1 -63,-3.3 -61,-2.4 -2,-0.5 2,-0.4 -0.947 14.7-143.4-116.8 111.1 4.9 -4.2 26.1 69 69 A P E +b 7 0A 0 0, 0.0 172,-0.5 0, 0.0 -61,-0.2 -0.618 22.7 175.2 -68.1 127.2 3.7 -0.9 27.4 70 70 A V + 0 0 4 -63,-3.0 -60,-0.5 -2,-0.4 -57,-0.4 -0.500 46.4 80.7-133.5 60.7 5.9 1.8 25.8 71 71 A N - 0 0 28 -59,-0.1 170,-0.1 -62,-0.1 -64,-0.0 -0.962 65.3-139.2-152.1 164.1 4.3 5.1 27.0 72 72 A E + 0 0 55 -2,-0.3 2,-1.0 168,-0.0 3,-0.1 -0.046 54.7 132.7-119.5 30.9 4.5 7.2 30.1 73 73 A N > - 0 0 59 1,-0.2 4,-2.6 2,-0.0 3,-0.5 -0.748 45.1-157.5 -78.3 105.5 0.8 8.1 30.3 74 74 A L H > S+ 0 0 64 -2,-1.0 4,-3.0 1,-0.3 5,-0.3 0.856 91.2 56.7 -57.5 -38.4 0.1 7.4 34.0 75 75 A A H > S+ 0 0 56 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.910 111.1 44.0 -56.0 -45.3 -3.6 6.9 33.3 76 76 A C H > S+ 0 0 7 -3,-0.5 4,-2.8 2,-0.2 -2,-0.2 0.941 115.3 46.8 -64.9 -50.4 -2.7 4.2 30.7 77 77 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.923 114.5 46.9 -60.1 -47.1 -0.1 2.5 32.9 78 78 A E H X S+ 0 0 63 -4,-3.0 4,-1.5 -5,-0.2 -1,-0.2 0.876 112.9 50.2 -64.1 -37.6 -2.4 2.5 36.0 79 79 A F H X S+ 0 0 45 -4,-1.9 4,-0.9 -5,-0.3 -2,-0.2 0.925 109.2 50.3 -64.7 -46.7 -5.3 1.2 33.9 80 80 A L H >X S+ 0 0 1 -4,-2.8 3,-0.8 1,-0.2 4,-0.7 0.888 107.3 55.5 -58.9 -40.1 -3.2 -1.7 32.5 81 81 A N H >< S+ 0 0 34 -4,-2.1 3,-0.7 1,-0.2 4,-0.3 0.892 103.8 54.8 -56.4 -41.5 -2.1 -2.6 36.0 82 82 A S H 3< S+ 0 0 78 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.704 119.8 30.8 -68.1 -22.3 -5.8 -2.9 37.0 83 83 A I H X< S+ 0 0 19 -4,-0.9 3,-2.0 -3,-0.8 4,-0.3 0.275 83.1 111.3-118.3 9.3 -6.5 -5.4 34.2 84 84 A K G X< S+ 0 0 75 -3,-0.7 3,-1.2 -4,-0.7 -2,-0.1 0.777 71.8 62.1 -62.3 -28.7 -3.1 -7.2 33.8 85 85 A E G 3 S+ 0 0 139 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.644 96.5 62.2 -69.6 -14.6 -4.5 -10.5 35.2 86 86 A K G < S+ 0 0 143 -3,-2.0 -1,-0.2 2,-0.0 -2,-0.2 0.552 79.4 110.0 -87.9 -10.0 -6.9 -10.7 32.3 87 87 A F < - 0 0 22 -3,-1.2 4,-0.1 -4,-0.3 -29,-0.1 -0.383 60.4-149.3 -70.4 143.5 -4.2 -10.8 29.6 88 88 A S S S+ 0 0 73 -30,-0.4 -1,-0.1 -2,-0.1 -3,-0.0 0.307 84.4 39.0 -94.4 7.8 -3.6 -14.1 27.6 89 89 A C S S- 0 0 16 -26,-0.0 -23,-0.2 -22,-0.0 -24,-0.1 -0.930 103.3 -76.0-144.0 166.7 0.1 -13.3 27.3 90 90 A P - 0 0 46 0, 0.0 -23,-2.4 0, 0.0 2,-0.7 -0.393 34.1-138.5 -66.5 143.4 2.8 -11.8 29.6 91 91 A V B -d 67 0A 17 -25,-0.2 2,-2.2 2,-0.1 -23,-0.2 -0.924 16.2-141.8 -99.4 111.8 2.8 -8.0 30.1 92 92 A L + 0 0 2 -25,-2.5 2,-0.3 -2,-0.7 128,-0.1 -0.441 63.1 97.8 -78.8 74.9 6.5 -7.1 30.0 93 93 A F - 0 0 17 -2,-2.2 2,-0.6 125,-0.1 -2,-0.1 -0.992 63.4-140.4-160.4 147.5 6.4 -4.4 32.8 94 94 A D > - 0 0 27 -2,-0.3 4,-1.9 145,-0.3 5,-0.1 -0.921 18.3-174.5-115.7 101.4 7.1 -4.0 36.5 95 95 A F H > S+ 0 0 14 -2,-0.6 4,-1.7 1,-0.2 -1,-0.1 0.857 82.1 50.6 -70.0 -35.4 4.3 -1.8 37.9 96 96 A E H > S+ 0 0 110 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.894 110.8 49.3 -65.8 -43.0 5.8 -1.5 41.4 97 97 A A H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 142,-0.2 0.885 110.3 51.2 -65.4 -38.7 9.2 -0.4 40.0 98 98 A Y H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.853 101.8 60.8 -66.9 -36.4 7.5 2.2 37.8 99 99 A R H < S+ 0 0 70 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.882 115.1 35.4 -55.6 -40.2 5.6 3.6 40.7 100 100 A I H >< S+ 0 0 26 -4,-1.3 3,-0.6 -3,-0.2 7,-0.5 0.921 117.9 49.6 -78.3 -48.1 8.9 4.4 42.3 101 101 A S H 3< S+ 0 0 0 -4,-2.9 136,-0.3 1,-0.2 -2,-0.2 0.793 103.6 59.2 -68.2 -31.8 11.0 5.3 39.2 102 102 A R T 3< S+ 0 0 37 -4,-2.3 2,-0.8 -5,-0.2 -1,-0.2 0.824 98.7 64.5 -66.7 -32.4 8.4 7.8 37.8 103 103 A D S <> S- 0 0 35 -3,-0.6 4,-2.7 -4,-0.5 3,-0.2 -0.832 70.0-161.4 -99.8 106.7 8.6 10.0 40.9 104 104 A K H > S+ 0 0 15 29,-3.0 4,-1.9 -2,-0.8 -1,-0.2 0.799 90.8 52.0 -59.7 -31.3 12.1 11.5 41.2 105 105 A K H > S+ 0 0 92 2,-0.2 4,-1.9 28,-0.2 -1,-0.2 0.894 111.5 45.5 -70.9 -43.1 11.5 12.3 44.9 106 106 A K H > S+ 0 0 93 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.898 112.1 53.5 -64.2 -42.5 10.4 8.7 45.8 107 107 A S H X S+ 0 0 1 -4,-2.7 4,-2.6 -7,-0.5 -2,-0.2 0.903 107.9 49.8 -57.0 -44.4 13.4 7.4 43.7 108 108 A K H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.879 109.0 51.5 -67.0 -36.2 15.8 9.6 45.8 109 109 A D H X S+ 0 0 102 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.897 110.4 50.6 -63.3 -39.7 14.2 8.3 49.0 110 110 A Y H X S+ 0 0 27 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.937 109.1 49.8 -62.2 -48.2 14.8 4.8 47.6 111 111 A F H ><>S+ 0 0 0 -4,-2.6 5,-2.9 1,-0.2 3,-0.7 0.923 112.5 48.1 -54.4 -48.2 18.5 5.5 46.7 112 112 A K H ><5S+ 0 0 113 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.872 103.2 61.9 -62.8 -38.0 19.0 6.9 50.3 113 113 A S H 3<5S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.768 112.7 36.5 -62.5 -27.5 17.4 3.8 51.9 114 114 A I T <<5S- 0 0 52 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.178 119.3-104.1-112.3 16.7 20.1 1.6 50.4 115 115 A G T < 5 + 0 0 64 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.743 65.4 152.6 74.1 26.7 23.1 3.9 50.7 116 116 A V < - 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