==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-OCT-10 3P2I . COMPND 2 MOLECULE: 16S RRNA METHYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SIVARAMAN,N.HUSAIN . 398 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19262.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 12.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 36 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 4 0 0 3 9 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 2 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 PARALLEL BRIDGES PER LADDER . 4 0 2 0 0 2 2 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 0 0 2 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 2 A L 0 0 79 0, 0.0 82,-2.0 0, 0.0 9,-0.2 0.000 360.0 360.0 360.0 94.3 -4.7 10.4 10.6 2 3 A I E -AB 9 82A 8 7,-3.0 7,-1.8 80,-0.2 2,-0.5 -0.716 360.0-104.4-129.6 179.4 -4.5 13.0 7.9 3 4 A L E -A 8 0A 7 78,-1.3 2,-0.6 -2,-0.2 78,-0.4 -0.932 18.0-175.1-115.8 131.2 -3.4 16.6 7.3 4 5 A K E > S-A 7 0A 121 3,-3.3 3,-1.9 -2,-0.5 2,-0.4 -0.874 77.5 -55.7-118.3 89.9 -5.6 19.7 7.0 5 6 A G T 3 S- 0 0 7 -2,-0.6 60,-0.1 59,-0.6 59,-0.1 -0.612 119.0 -23.8 73.2-126.5 -3.1 22.3 6.2 6 7 A T T 3 S+ 0 0 81 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.416 121.8 95.5 -97.2 0.6 -0.6 22.2 9.1 7 8 A K E < -A 4 0A 140 -3,-1.9 -3,-3.3 54,-0.1 2,-0.5 -0.738 68.2-137.8 -96.8 142.1 -3.1 20.6 11.5 8 9 A T E +A 3 0A 47 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.849 32.4 162.5 -99.1 124.3 -3.4 16.9 12.1 9 10 A V E -A 2 0A 47 -7,-1.8 -7,-3.0 -2,-0.5 2,-0.3 -0.865 35.6 -99.8-135.5 169.5 -7.0 15.4 12.3 10 11 A D - 0 0 110 -2,-0.3 2,-0.4 -9,-0.2 -7,-0.0 -0.699 22.4-167.3 -97.3 144.2 -8.7 12.0 12.0 11 12 A L - 0 0 26 -2,-0.3 2,-0.1 4,-0.0 -2,-0.0 -0.997 17.8-144.0-127.7 121.6 -10.5 10.6 9.0 12 13 A S > - 0 0 38 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.393 26.0-107.5 -84.3 165.0 -12.6 7.5 9.6 13 14 A K H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.895 120.0 51.0 -56.8 -42.5 -13.1 4.6 7.3 14 15 A D H > S+ 0 0 131 2,-0.2 4,-2.6 1,-0.2 3,-0.2 0.975 108.5 49.2 -59.8 -57.4 -16.6 5.8 6.5 15 16 A E H > S+ 0 0 95 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.899 112.8 49.2 -47.9 -47.5 -15.6 9.4 5.7 16 17 A L H X S+ 0 0 7 -4,-2.4 4,-3.0 1,-0.2 -1,-0.3 0.883 108.5 52.5 -61.0 -42.1 -12.9 8.0 3.4 17 18 A T H X S+ 0 0 76 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.909 108.1 52.7 -60.6 -42.5 -15.3 5.7 1.6 18 19 A E H X S+ 0 0 126 -4,-2.6 4,-0.6 2,-0.2 -2,-0.2 0.919 112.4 44.2 -58.1 -47.3 -17.6 8.6 1.0 19 20 A I H >< S+ 0 0 54 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.937 109.8 53.4 -65.0 -49.7 -14.8 10.6 -0.6 20 21 A I H >< S+ 0 0 33 -4,-3.0 3,-1.6 1,-0.3 -1,-0.2 0.763 95.7 75.2 -58.0 -23.7 -13.4 7.8 -2.7 21 22 A G H 3< S+ 0 0 50 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.857 86.1 57.8 -58.4 -38.8 -17.0 7.4 -4.0 22 23 A Q T << S+ 0 0 127 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.3 0.262 103.9 66.9 -78.3 14.3 -16.8 10.5 -6.2 23 24 A F < - 0 0 33 -3,-1.6 25,-0.1 1,-0.1 24,-0.1 -0.949 66.1-148.8-134.9 153.9 -13.8 9.0 -8.1 24 25 A D S S+ 0 0 122 23,-1.1 2,-0.3 -2,-0.3 24,-0.2 0.687 84.7 33.6 -91.9 -22.4 -13.3 6.0 -10.4 25 26 A R E -c 48 0A 87 22,-1.1 24,-3.3 2,-0.0 2,-0.4 -0.966 58.8-158.0-137.3 154.0 -9.7 5.4 -9.3 26 27 A V E -c 49 0A 4 -2,-0.3 72,-3.0 22,-0.2 73,-1.3 -0.993 11.7-171.9-131.8 122.8 -7.5 5.6 -6.2 27 28 A H E -cd 50 99A 18 22,-2.1 24,-2.8 -2,-0.4 2,-0.4 -0.923 7.0-156.3-115.5 141.5 -3.8 5.8 -6.3 28 29 A I E -cd 51 100A 0 71,-2.3 73,-2.7 -2,-0.4 2,-0.6 -0.973 4.2-164.8-120.8 130.4 -1.4 5.6 -3.3 29 30 A D E > -cd 52 101A 2 22,-2.8 24,-2.8 -2,-0.4 3,-0.6 -0.962 15.8-151.4-114.2 113.7 2.1 7.1 -3.2 30 31 A L E 3 S+c 53 0A 4 71,-2.8 73,-0.5 -2,-0.6 24,-0.1 -0.697 79.1 11.7 -88.9 134.3 4.1 5.7 -0.3 31 32 A G T 3 S+ 0 0 19 22,-1.2 -1,-0.3 -2,-0.4 23,-0.2 0.931 80.0 177.4 65.5 43.4 6.8 7.8 1.3 32 33 A T X - 0 0 5 21,-2.8 3,-0.9 -3,-0.6 2,-0.4 0.649 13.3-165.6 -56.2 -20.1 5.4 10.6 -0.7 33 34 A G T 3 + 0 0 5 20,-0.3 -1,-0.2 1,-0.2 -2,-0.1 -0.530 66.0 1.8 74.2-122.5 7.9 13.1 0.7 34 35 A D T 3 S- 0 0 16 -2,-0.4 29,-0.4 26,-0.1 -1,-0.2 0.334 95.2-119.5 -86.2 8.9 7.0 16.8 0.2 35 36 A G S <> S+ 0 0 0 -3,-0.9 4,-2.2 18,-0.1 -2,-0.1 0.429 82.4 116.2 71.2 -1.0 3.8 15.9 -1.7 36 37 A R H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.892 72.7 52.0 -67.7 -40.6 4.9 17.6 -4.9 37 38 A N H > S+ 0 0 10 -5,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.940 114.5 44.5 -60.1 -44.5 4.9 14.4 -7.0 38 39 A I H > S+ 0 0 0 -6,-0.3 4,-2.6 1,-0.2 5,-0.2 0.872 108.8 57.8 -65.1 -39.9 1.4 13.7 -5.8 39 40 A Y H X S+ 0 0 27 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.910 108.8 44.8 -58.1 -44.8 0.3 17.3 -6.4 40 41 A K H X S+ 0 0 68 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.865 111.0 54.0 -68.9 -36.7 1.3 17.1 -10.0 41 42 A L H < S+ 0 0 59 -4,-1.8 4,-0.3 -5,-0.2 3,-0.2 0.945 113.2 42.6 -61.6 -48.2 -0.4 13.7 -10.5 42 43 A A H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.922 108.7 55.5 -65.6 -48.2 -3.7 15.0 -9.1 43 44 A I H 3< S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.3 3,-0.2 0.794 111.6 47.3 -57.8 -27.0 -3.7 18.3 -10.9 44 45 A N T 3< S+ 0 0 124 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.452 118.9 37.8 -94.1 -1.4 -3.4 16.4 -14.2 45 46 A D X + 0 0 48 -3,-1.8 3,-1.1 -4,-0.3 -1,-0.2 -0.645 53.0 174.8-154.5 90.8 -6.1 13.8 -13.5 46 47 A Q T 3 S+ 0 0 100 1,-0.2 -4,-0.1 -3,-0.2 -3,-0.1 0.346 76.5 72.3 -77.6 6.0 -9.3 14.8 -11.7 47 48 A N T 3 S+ 0 0 79 -24,-0.1 -22,-1.1 -5,-0.1 -23,-1.1 0.312 91.0 67.2-102.7 8.8 -10.7 11.3 -12.1 48 49 A T E < S-c 25 0A 1 -3,-1.1 2,-0.7 -6,-0.2 -22,-0.2 -0.975 74.3-137.4-128.8 140.7 -8.4 9.7 -9.6 49 50 A F E -c 26 0A 6 -24,-3.3 -22,-2.1 -2,-0.4 2,-0.5 -0.884 25.2-150.4 -97.9 119.5 -8.2 10.3 -5.8 50 51 A Y E -ce 27 79A 18 28,-3.3 30,-1.6 -2,-0.7 2,-0.6 -0.787 11.8-169.1 -97.2 128.1 -4.6 10.6 -4.8 51 52 A I E -ce 28 80A 0 -24,-2.8 -22,-2.8 -2,-0.5 2,-0.6 -0.953 3.4-166.9-117.0 114.0 -3.4 9.5 -1.3 52 53 A G E -ce 29 81A 0 28,-2.3 30,-3.0 -2,-0.6 2,-0.4 -0.898 7.8-163.1-102.5 123.5 0.1 10.5 -0.4 53 54 A I E +ce 30 82A 0 -24,-2.8 -21,-2.8 -2,-0.6 -22,-1.2 -0.879 18.8 153.5-109.7 139.2 1.5 8.7 2.7 54 55 A D E - e 0 83A 12 28,-2.4 30,-0.9 -2,-0.4 31,-0.1 -0.971 40.7-141.1-159.8 146.6 4.5 9.8 4.7 55 56 A P S S+ 0 0 73 0, 0.0 2,-0.7 0, 0.0 30,-0.1 0.683 90.4 67.0 -83.7 -18.4 5.7 9.5 8.3 56 57 A V > - 0 0 24 1,-0.2 3,-0.6 28,-0.1 4,-0.2 -0.879 56.8-177.5-108.9 106.6 7.1 13.1 8.6 57 58 A K G >> S+ 0 0 75 -2,-0.7 3,-2.2 1,-0.2 4,-1.1 0.814 74.7 74.5 -71.4 -30.2 4.4 15.7 8.4 58 59 A E G >4 S+ 0 0 55 1,-0.3 3,-0.5 2,-0.2 4,-0.3 0.861 95.2 52.3 -49.8 -40.0 6.8 18.6 8.6 59 60 A N G <4 S+ 0 0 13 -3,-0.6 -1,-0.3 1,-0.2 4,-0.3 0.585 108.6 51.2 -74.6 -10.8 7.7 18.0 4.9 60 61 A L G <> S+ 0 0 0 -3,-2.2 4,-3.0 -4,-0.2 5,-0.2 0.595 80.9 93.7-101.5 -13.6 4.0 18.0 3.8 61 62 A F H > S+ 0 0 53 -4,-0.3 4,-1.6 2,-0.2 3,-0.9 0.983 118.5 33.4 -53.8 -72.6 3.6 23.5 2.3 63 64 A I H 3> S+ 0 0 7 -29,-0.4 4,-2.9 -4,-0.3 5,-0.3 0.862 116.6 60.1 -54.4 -35.1 1.7 21.5 -0.3 64 65 A S H 3X S+ 0 0 1 -4,-3.0 4,-0.8 1,-0.2 -59,-0.6 0.890 106.4 45.5 -59.9 -39.7 -0.8 20.5 2.5 65 66 A K H << S+ 0 0 106 -4,-2.5 -1,-0.2 -3,-0.9 -2,-0.2 0.770 115.1 50.4 -72.9 -26.6 -1.6 24.2 3.0 66 67 A K H >< S+ 0 0 85 -4,-1.6 3,-1.8 -5,-0.2 -2,-0.2 0.906 103.7 52.9 -79.2 -46.0 -1.9 24.7 -0.8 67 68 A I H 3< S+ 0 0 15 -4,-2.9 9,-2.2 1,-0.3 -1,-0.2 0.768 105.1 59.6 -62.5 -24.0 -4.2 21.8 -1.7 68 69 A I T 3< S+ 0 0 90 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.496 86.3 96.8 -84.4 -4.3 -6.6 23.1 0.9 69 70 A K S < S- 0 0 95 -3,-1.8 7,-0.1 1,-0.2 5,-0.1 -0.292 93.9 -77.6 -77.3 169.1 -7.0 26.5 -0.7 70 71 A K > > - 0 0 136 1,-0.1 3,-2.5 5,-0.1 5,-1.4 -0.359 47.2-108.6 -64.6 149.6 -9.9 27.3 -3.0 71 72 A P G > 5S+ 0 0 98 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.815 118.7 66.4 -48.5 -33.9 -9.4 25.8 -6.5 72 73 A S G 3 5S+ 0 0 102 1,-0.3 -2,-0.0 2,-0.1 -3,-0.0 0.781 104.9 43.7 -60.8 -27.4 -8.8 29.4 -7.8 73 74 A K G < 5S- 0 0 141 -3,-2.5 -1,-0.3 -7,-0.1 -4,-0.1 -0.185 136.7 -72.1-114.4 41.3 -5.6 29.5 -5.7 74 75 A G T < 5S+ 0 0 23 -3,-1.3 -5,-0.1 1,-0.2 2,-0.1 0.657 83.0 151.3 83.4 16.7 -4.0 26.2 -6.4 75 76 A G < - 0 0 8 -5,-1.4 2,-0.4 -7,-0.1 -1,-0.2 -0.476 27.8-157.0 -81.6 153.8 -6.4 24.1 -4.4 76 77 A L - 0 0 23 -9,-2.2 3,-0.3 -2,-0.1 -33,-0.1 -0.992 18.6-166.2-134.2 140.3 -7.2 20.4 -5.2 77 78 A S S S+ 0 0 87 -2,-0.4 -1,-0.1 1,-0.2 -9,-0.0 0.562 85.7 62.3 -97.6 -11.5 -10.2 18.2 -4.3 78 79 A N S S+ 0 0 0 -29,-0.1 -28,-3.3 -11,-0.0 2,-0.3 0.066 87.4 86.4-105.9 26.6 -8.6 14.9 -5.2 79 80 A V E + e 0 50A 14 -3,-0.3 2,-0.3 -30,-0.2 -28,-0.2 -0.954 39.7 168.3-130.4 147.5 -5.7 14.8 -2.7 80 81 A V E - e 0 51A 15 -30,-1.6 -28,-2.3 -2,-0.3 2,-0.5 -0.959 21.8-144.5-153.7 132.8 -5.2 13.7 0.9 81 82 A F E - e 0 52A 0 -78,-0.4 -78,-1.3 -2,-0.3 2,-0.5 -0.897 13.4-159.6-105.2 126.0 -2.0 13.2 2.9 82 83 A V E -Be 2 53A 12 -30,-3.0 -28,-2.4 -2,-0.5 2,-1.0 -0.885 12.0-141.1-106.2 133.1 -1.9 10.4 5.3 83 84 A I E + e 0 54A 30 -82,-2.0 2,-0.3 -2,-0.5 -30,-0.1 -0.806 55.5 111.1 -95.5 101.8 0.7 10.4 8.2 84 85 A A - 0 0 14 -2,-1.0 2,-0.3 -30,-0.9 -53,-0.2 -0.971 55.6-122.2-161.2 164.6 1.9 6.8 8.5 85 86 A A B > -I 88 0B 28 3,-0.6 3,-1.8 -2,-0.3 -31,-0.1 -0.838 27.7-115.9-116.5 155.0 4.9 4.6 8.0 86 87 A A T > S+ 0 0 7 -2,-0.3 3,-0.6 1,-0.3 -1,-0.1 0.817 114.2 64.8 -56.2 -31.8 5.4 1.5 5.8 87 88 A E T 3 S+ 0 0 82 1,-0.3 -1,-0.3 36,-0.0 2,-0.1 0.739 119.6 19.4 -65.2 -23.8 6.0 -0.4 9.1 88 89 A S B < S-I 85 0B 88 -3,-1.8 -3,-0.6 2,-0.0 -1,-0.3 -0.568 77.9-173.6-151.4 82.5 2.5 0.3 10.2 89 90 A L < - 0 0 32 -3,-0.6 2,-0.2 -5,-0.1 -3,-0.1 -0.444 37.2 -97.0 -76.0 148.0 -0.0 1.3 7.5 90 91 A P > - 0 0 29 0, 0.0 3,-2.0 0, 0.0 4,-0.1 -0.482 23.6-136.3 -67.7 129.7 -3.6 2.4 8.4 91 92 A F G > S+ 0 0 139 1,-0.3 3,-1.8 -2,-0.2 -2,-0.0 0.740 98.8 74.0 -58.1 -24.7 -6.1 -0.4 8.1 92 93 A E G 3 S+ 0 0 30 1,-0.3 -1,-0.3 4,-0.0 -80,-0.0 0.708 91.6 56.5 -63.4 -18.3 -8.6 2.0 6.5 93 94 A L G X S+ 0 0 6 -3,-2.0 3,-0.9 3,-0.0 4,-0.4 0.345 77.7 132.3 -95.7 6.2 -6.4 1.8 3.3 94 95 A K T < S- 0 0 113 -3,-1.8 33,-0.3 1,-0.3 32,-0.1 -0.365 81.3 -9.6 -63.0 129.7 -6.7 -2.0 3.0 95 96 A N T 3 S+ 0 0 102 31,-3.7 -1,-0.3 33,-0.2 33,-0.2 0.900 104.1 112.7 49.9 52.0 -7.6 -3.3 -0.5 96 97 A I < + 0 0 15 31,-2.5 2,-0.3 -3,-0.9 32,-0.2 0.659 43.2 93.9-124.1 -24.7 -8.4 0.2 -1.8 97 98 A A E - f 0 128A 0 30,-3.2 32,-2.9 -4,-0.4 -70,-0.2 -0.568 42.5-170.3 -87.5 135.9 -5.8 1.2 -4.4 98 99 A D E S+ 0 0 30 -72,-3.0 35,-2.3 -2,-0.3 2,-0.3 0.725 87.0 11.3 -85.0 -25.8 -6.0 0.7 -8.2 99 100 A S E -df 27 133A 7 -73,-1.3 -71,-2.3 33,-0.3 2,-0.4 -0.996 65.8-159.7-153.8 150.4 -2.3 1.7 -8.3 100 101 A I E -df 28 134A 2 33,-2.4 35,-2.1 -2,-0.3 2,-0.3 -0.989 7.6-172.6-134.5 142.0 0.6 2.2 -6.0 101 102 A S E -df 29 135A 1 -73,-2.7 -71,-2.8 -2,-0.4 2,-0.4 -0.970 16.4-169.6-136.1 149.6 3.8 4.0 -6.3 102 103 A I E - f 0 136A 0 33,-2.1 35,-2.7 -2,-0.3 2,-0.6 -0.921 23.3-169.1-135.1 101.9 7.0 4.4 -4.3 103 104 A L E - f 0 137A 11 -73,-0.5 35,-0.1 -2,-0.4 -66,-0.1 -0.884 60.6 -24.9-106.5 118.1 9.0 7.2 -5.9 104 105 A F S S- 0 0 4 33,-2.4 -1,-0.2 -2,-0.6 34,-0.2 0.935 80.4-161.5 50.5 58.3 12.6 7.9 -4.9 105 106 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 34,-0.3 -0.337 4.7-158.5 -70.0 150.5 12.4 6.4 -1.4 106 107 A W >> - 0 0 80 -75,-0.1 3,-0.9 32,-0.1 4,-0.5 -0.876 49.2 -7.1-127.0 157.4 15.1 7.2 1.2 107 108 A G H 3> S- 0 0 24 -2,-0.3 4,-1.7 1,-0.2 3,-0.5 -0.238 125.2 -2.9 63.8-141.6 16.2 5.4 4.4 108 109 A T H 3> S+ 0 0 49 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.805 131.6 57.0 -56.4 -35.9 14.4 2.3 5.6 109 110 A L H <> S+ 0 0 19 -3,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.901 105.9 50.8 -66.1 -38.0 11.7 2.4 2.9 110 111 A L H X S+ 0 0 16 -4,-0.5 4,-2.4 -3,-0.5 5,-0.2 0.905 110.0 51.3 -63.4 -40.5 14.4 2.3 0.2 111 112 A E H X S+ 0 0 99 -4,-1.7 4,-3.1 1,-0.2 -2,-0.2 0.926 106.7 53.3 -60.8 -47.6 15.8 -0.7 2.0 112 113 A Y H <>S+ 0 0 24 -4,-2.5 5,-2.9 1,-0.2 -1,-0.2 0.813 113.9 42.6 -59.5 -32.2 12.5 -2.5 2.1 113 114 A V H <5S+ 0 0 1 -4,-1.5 -1,-0.2 3,-0.2 -2,-0.2 0.857 121.5 38.5 -82.9 -37.7 12.1 -2.0 -1.7 114 115 A I H <5S+ 0 0 52 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.868 123.5 34.9 -82.4 -40.9 15.7 -2.9 -2.6 115 116 A K T <5S- 0 0 141 -4,-3.1 -3,-0.1 -5,-0.2 -2,-0.1 0.910 111.6-124.5 -43.4 -64.5 16.5 -5.8 -0.2 116 117 A P T 5 - 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