==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 09-JUL-10 3NWE . COMPND 2 MOLECULE: CATECHOL O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR A.EHLER,D.SCHLATTER,M.STIHLE,J.BENZ,M.G.RUDOLPH . 213 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9587.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 14 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.8 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 2 0 0 1 0 1 1 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A D 0 0 135 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.6 -3.3 3.9 6.9 2 4 A T > - 0 0 68 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.448 360.0-116.2-105.8 162.5 -2.4 5.6 10.2 3 5 A K H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.898 116.5 53.4 -56.3 -41.6 0.6 7.4 11.8 4 6 A E H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 109.0 48.3 -64.3 -40.5 0.9 4.7 14.4 5 7 A Q H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.888 109.0 54.1 -65.5 -38.2 1.1 2.0 11.7 6 8 A R H X S+ 0 0 74 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.870 107.2 51.2 -65.8 -35.9 3.7 4.1 9.9 7 9 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.951 111.3 46.8 -62.2 -52.1 5.8 4.2 13.0 8 10 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.912 112.5 50.6 -53.7 -45.1 5.6 0.5 13.5 9 11 A R H X S+ 0 0 92 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.921 108.7 51.7 -65.0 -40.1 6.5 -0.1 9.8 10 12 A Y H X S+ 0 0 36 -4,-2.3 4,-1.8 1,-0.2 5,-0.3 0.935 109.9 49.1 -62.9 -43.6 9.5 2.2 10.1 11 13 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.935 113.3 46.5 -57.4 -49.2 10.7 0.3 13.1 12 14 A Q H < S+ 0 0 88 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.848 115.2 46.5 -63.7 -35.6 10.3 -3.0 11.3 13 15 A Q H < S+ 0 0 137 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.801 129.8 20.7 -73.4 -28.0 12.0 -1.7 8.1 14 16 A N H < S+ 0 0 92 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.848 103.9 71.6-115.0 -47.6 14.9 -0.2 10.0 15 17 A A S < S- 0 0 19 -4,-2.4 8,-0.1 -5,-0.3 6,-0.0 -0.090 76.0-103.3 -78.7 174.0 15.6 -1.5 13.5 16 18 A K > - 0 0 131 3,-0.3 3,-1.8 88,-0.0 7,-0.2 -0.852 32.8-118.6 -99.2 123.7 17.0 -4.8 14.8 17 19 A P T 3 S+ 0 0 89 0, 0.0 87,-0.2 0, 0.0 86,-0.1 -0.316 99.8 20.6 -58.1 138.3 14.7 -7.5 16.3 18 20 A G T 3 S+ 0 0 50 85,-2.9 86,-0.2 84,-0.2 85,-0.1 0.458 99.2 105.2 85.2 1.8 15.6 -8.3 19.9 19 21 A D <> - 0 0 57 -3,-1.8 4,-1.6 84,-0.3 3,-0.4 -0.843 46.8-174.4-119.8 90.5 17.4 -4.9 20.4 20 22 A P H > S+ 0 0 25 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.860 83.7 55.4 -56.6 -38.9 15.3 -2.5 22.5 21 23 A Q H > S+ 0 0 82 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.901 106.0 51.8 -61.6 -39.9 17.7 0.4 22.1 22 24 A S H > S+ 0 0 20 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.882 109.2 51.2 -64.7 -34.5 17.5 0.1 18.3 23 25 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 -7,-0.2 -2,-0.2 0.947 110.9 47.0 -65.5 -49.0 13.7 0.2 18.5 24 26 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.918 112.5 50.3 -59.6 -43.6 13.7 3.4 20.6 25 27 A E H X S+ 0 0 118 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.889 109.1 51.4 -63.6 -39.7 16.2 5.1 18.3 26 28 A A H X S+ 0 0 10 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.914 111.4 47.3 -62.8 -44.2 14.2 4.2 15.2 27 29 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.939 112.7 48.6 -62.3 -45.9 11.0 5.7 16.8 28 30 A D H X S+ 0 0 22 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.900 112.6 49.1 -62.9 -40.2 12.9 8.9 17.9 29 31 A T H X S+ 0 0 50 -4,-2.5 4,-2.7 1,-0.2 5,-0.4 0.942 111.8 48.0 -63.5 -47.6 14.4 9.3 14.4 30 32 A Y H X>S+ 0 0 20 -4,-2.6 4,-2.6 1,-0.2 5,-1.6 0.911 113.1 48.1 -57.8 -43.7 11.0 8.8 12.7 31 33 A C H <5S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.724 116.5 43.0 -77.1 -17.4 9.3 11.3 15.0 32 34 A T H <5S+ 0 0 97 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.810 126.3 28.6 -89.6 -36.9 12.0 13.9 14.6 33 35 A Q H <5S+ 0 0 135 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.738 133.5 17.9-100.5 -26.0 12.5 13.6 10.9 34 36 A K T <5S- 0 0 104 -4,-2.6 2,-0.3 -5,-0.4 -3,-0.2 0.824 122.0 -8.0-114.0 -65.5 9.1 12.5 9.5 35 37 A E < - 0 0 54 -5,-1.6 -1,-0.2 -32,-0.1 -2,-0.1 -0.964 62.9-122.6-147.0 125.7 6.0 12.9 11.7 36 38 A W - 0 0 105 -2,-0.3 2,-0.3 -4,-0.1 -4,-0.1 -0.270 32.6-179.5 -59.7 144.8 5.7 14.0 15.4 37 39 A A - 0 0 0 2,-0.1 2,-1.5 -6,-0.1 -6,-0.0 -0.989 38.5-106.7-147.7 158.4 4.0 11.6 17.7 38 40 A M + 0 0 83 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.137 63.4 139.1 -84.8 44.7 3.1 11.6 21.4 39 41 A N S S- 0 0 4 -2,-1.5 158,-0.2 1,-0.1 -2,-0.1 -0.512 70.1-108.6 -74.1 155.5 5.7 9.1 22.6 40 42 A V > - 0 0 1 -2,-0.2 4,-0.6 1,-0.1 5,-0.2 0.834 60.0-152.1 -61.2 -29.4 7.3 10.1 25.9 41 43 A G H > - 0 0 0 3,-0.2 4,-1.4 1,-0.1 -1,-0.1 -0.044 24.3 -69.9 86.6 174.2 10.5 10.8 23.9 42 44 A D H > S+ 0 0 69 2,-0.2 4,-1.9 3,-0.2 -1,-0.1 0.836 122.5 55.0 -78.8 -31.1 14.1 10.7 24.7 43 45 A A H > S+ 0 0 42 2,-0.2 4,-0.9 1,-0.2 3,-0.2 0.985 120.8 29.3 -68.8 -55.7 14.4 13.8 26.9 44 46 A K H X S+ 0 0 0 -4,-0.6 4,-2.7 151,-0.5 3,-0.3 0.832 115.6 65.2 -68.8 -31.4 11.7 12.6 29.4 45 47 A G H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.872 96.9 54.4 -59.0 -38.7 12.7 9.0 28.6 46 48 A Q H X S+ 0 0 115 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.869 108.8 48.9 -64.5 -34.8 16.1 9.5 30.1 47 49 A I H X S+ 0 0 35 -4,-0.9 4,-2.3 -3,-0.3 -2,-0.2 0.947 110.2 51.2 -68.9 -45.0 14.5 10.7 33.3 48 50 A M H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.917 108.1 52.7 -54.2 -44.5 12.2 7.7 33.3 49 51 A D H X S+ 0 0 17 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.915 109.2 48.8 -59.3 -43.9 15.2 5.5 32.9 50 52 A A H X S+ 0 0 59 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.883 112.8 47.6 -66.7 -38.7 16.9 7.0 35.9 51 53 A V H X S+ 0 0 4 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.915 111.4 50.2 -65.7 -45.9 13.8 6.7 38.1 52 54 A I H X S+ 0 0 2 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.927 111.8 47.9 -59.8 -45.3 13.3 3.0 37.1 53 55 A R H < S+ 0 0 159 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.880 110.2 53.5 -64.5 -35.4 16.9 2.2 37.9 54 56 A E H < S+ 0 0 125 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.907 118.8 31.4 -66.8 -39.7 16.7 3.9 41.2 55 57 A Y H < S- 0 0 76 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.686 83.4-153.6 -97.2 -19.6 13.6 2.1 42.5 56 58 A S < - 0 0 68 -4,-2.3 -3,-0.1 -5,-0.2 2,-0.1 0.927 21.6-156.6 45.0 61.3 14.0 -1.3 40.8 57 59 A P - 0 0 8 0, 0.0 22,-0.3 0, 0.0 3,-0.2 -0.388 19.6-157.8 -70.3 142.8 10.3 -2.0 40.8 58 60 A S S S+ 0 0 81 1,-0.3 25,-2.5 24,-0.1 2,-0.4 0.757 84.6 27.6 -86.7 -26.7 9.1 -5.6 40.6 59 61 A L E S-a 83 0A 32 23,-0.2 75,-2.1 2,-0.0 76,-1.5 -0.957 70.2-178.1-140.8 118.2 5.7 -4.8 39.3 60 62 A V E -ab 84 135A 0 23,-2.2 25,-2.9 -2,-0.4 2,-0.5 -0.934 11.3-156.6-116.8 138.3 4.9 -1.7 37.2 61 63 A L E -ab 85 136A 0 74,-2.2 76,-2.7 -2,-0.4 2,-0.4 -0.975 7.6-163.7-112.2 130.3 1.5 -0.6 35.9 62 64 A E E -ab 86 137A 0 23,-2.8 25,-2.7 -2,-0.5 2,-0.6 -0.958 6.3-155.0-112.5 132.4 1.4 1.7 32.8 63 65 A L E S+ab 87 138A 0 74,-2.8 76,-2.2 -2,-0.4 25,-0.1 -0.931 75.4 16.1-107.7 112.0 -1.8 3.6 32.0 64 66 A G - 0 0 9 23,-2.6 24,-0.2 -2,-0.6 -1,-0.2 0.732 58.2-173.3 90.5 99.9 -1.9 4.3 28.3 65 67 A A > + 0 0 3 22,-0.3 3,-2.3 1,-0.2 2,-0.6 0.821 11.7 174.6 -88.8 -37.5 0.5 2.5 26.0 66 68 A Y T 3 S- 0 0 26 1,-0.3 31,-0.4 2,-0.1 -1,-0.2 -0.486 79.5 -13.7 61.8-108.7 -0.1 4.3 22.7 67 69 A C T 3 S- 0 0 1 -2,-0.6 -1,-0.3 29,-0.1 33,-0.1 0.399 99.3-104.1-105.3 2.8 2.6 2.7 20.4 68 70 A G S <> S+ 0 0 0 -3,-2.3 4,-2.6 32,-0.1 5,-0.2 0.491 79.6 129.8 93.6 4.1 4.6 1.0 23.2 69 71 A Y H > S+ 0 0 2 -4,-0.3 4,-2.4 1,-0.2 5,-0.1 0.947 79.7 40.9 -57.0 -51.0 7.6 3.4 23.3 70 72 A S H > S+ 0 0 5 -5,-0.4 4,-2.6 1,-0.2 5,-0.3 0.864 112.6 56.4 -68.2 -31.2 7.4 3.8 27.1 71 73 A A H > S+ 0 0 0 -6,-0.3 4,-3.0 2,-0.2 5,-0.3 0.935 109.9 45.1 -64.6 -43.3 6.7 0.1 27.5 72 74 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.943 112.8 52.4 -61.8 -47.1 9.9 -0.8 25.6 73 75 A R H < S+ 0 0 5 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.910 117.6 35.9 -56.7 -47.2 11.8 1.9 27.6 74 76 A M H >X S+ 0 0 4 -4,-2.6 3,-1.8 1,-0.2 4,-0.5 0.927 114.0 54.2 -74.1 -44.3 10.7 0.5 31.0 75 77 A A H >< S+ 0 0 1 -4,-3.0 3,-1.0 1,-0.3 -2,-0.2 0.839 100.3 61.3 -66.3 -30.5 10.6 -3.2 30.2 76 78 A R T 3< S+ 0 0 45 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.685 106.8 47.0 -66.7 -16.0 14.2 -3.1 29.0 77 79 A L T <4 S+ 0 0 25 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.434 85.3 115.2-105.9 -3.8 15.4 -1.9 32.5 78 80 A L << - 0 0 14 -3,-1.0 3,-0.1 -4,-0.5 -20,-0.1 -0.400 68.0-117.7 -68.6 142.3 13.4 -4.5 34.6 79 81 A Q > - 0 0 122 -22,-0.3 3,-2.6 1,-0.2 -1,-0.1 -0.401 49.2 -73.6 -72.6 157.9 15.3 -7.0 36.6 80 82 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.248 124.8 19.0 -51.4 134.9 14.9 -10.7 35.8 81 83 A G T 3 S+ 0 0 58 1,-0.3 2,-0.1 -3,-0.1 -2,-0.0 0.192 96.7 119.8 86.7 -19.4 11.4 -11.8 37.1 82 84 A A < - 0 0 4 -3,-2.6 2,-0.3 -7,-0.1 -1,-0.3 -0.476 47.4-155.8 -79.1 157.8 10.0 -8.2 37.3 83 85 A R E -a 59 0A 100 -25,-2.5 -23,-2.2 -2,-0.1 2,-0.4 -0.954 16.9-148.0-140.7 150.9 7.0 -7.4 35.2 84 86 A L E -ac 60 110A 0 25,-2.6 27,-2.3 -2,-0.3 2,-0.5 -0.970 8.1-165.2-117.3 131.7 5.1 -4.6 33.5 85 87 A L E -ac 61 111A 15 -25,-2.9 -23,-2.8 -2,-0.4 2,-0.4 -0.980 12.9-171.3-108.1 131.5 1.3 -4.5 33.0 86 88 A T E -ac 62 112A 0 25,-2.8 27,-3.3 -2,-0.5 2,-0.5 -0.973 10.4-152.3-130.4 133.9 0.1 -1.9 30.5 87 89 A M E +ac 63 113A 4 -25,-2.7 -23,-2.6 -2,-0.4 2,-0.4 -0.891 16.6 172.2-106.5 132.2 -3.4 -0.9 29.8 88 90 A E - 0 0 17 25,-2.5 27,-0.4 -2,-0.5 28,-0.1 -0.946 16.3-168.3-145.2 112.5 -4.5 0.4 26.4 89 91 A I + 0 0 98 -2,-0.4 27,-0.2 25,-0.2 -1,-0.1 0.771 69.2 81.7 -74.0 -29.4 -8.2 1.0 25.6 90 92 A N > - 0 0 65 1,-0.2 4,-2.3 25,-0.1 5,-0.2 -0.688 69.7-150.9 -84.5 120.4 -7.7 1.5 21.8 91 93 A P H > S+ 0 0 78 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.875 94.2 52.5 -61.6 -37.6 -7.5 -1.9 20.1 92 94 A D H > S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.920 112.4 45.1 -64.1 -43.4 -5.3 -0.6 17.2 93 95 A C H > S+ 0 0 15 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.855 109.3 55.9 -67.1 -36.0 -2.8 0.9 19.7 94 96 A A H X S+ 0 0 9 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.910 110.0 46.3 -64.2 -39.7 -2.9 -2.3 21.8 95 97 A A H X S+ 0 0 47 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.893 112.3 49.5 -67.9 -41.6 -2.0 -4.3 18.8 96 98 A I H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.945 111.9 49.7 -61.2 -44.5 0.8 -1.9 17.7 97 99 A T H X S+ 0 0 0 -4,-2.9 4,-2.4 -31,-0.4 5,-0.2 0.922 110.2 49.6 -60.5 -46.3 2.2 -2.0 21.3 98 100 A Q H X S+ 0 0 67 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.936 113.3 46.7 -59.1 -44.6 2.2 -5.8 21.4 99 101 A Q H X S+ 0 0 77 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.850 110.0 53.7 -66.2 -36.6 4.0 -6.0 18.0 100 102 A M H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.924 112.0 44.0 -62.7 -44.3 6.5 -3.3 19.1 101 103 A L H X>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-0.7 0.867 112.1 53.1 -69.6 -38.3 7.3 -5.3 22.3 102 104 A N H ><5S+ 0 0 77 -4,-2.4 3,-1.2 -5,-0.2 -2,-0.2 0.946 109.9 48.5 -57.5 -48.5 7.5 -8.6 20.3 103 105 A F H 3<5S+ 0 0 37 -4,-2.5 -85,-2.9 1,-0.3 -84,-0.3 0.918 111.0 50.3 -61.8 -42.3 9.9 -7.0 17.9 104 106 A A H 3<5S- 0 0 1 -4,-2.1 -1,-0.3 -87,-0.2 -2,-0.2 0.598 112.2-120.7 -70.3 -12.4 12.0 -5.7 20.7 105 107 A G T <<5S+ 0 0 41 -3,-1.2 3,-0.3 -4,-0.7 -3,-0.2 0.677 83.3 112.8 79.6 18.7 12.1 -9.1 22.3 106 108 A L >>< + 0 0 13 -5,-2.3 3,-2.0 1,-0.2 4,-0.5 0.290 32.6 108.9-104.6 5.5 10.5 -7.9 25.5 107 109 A Q G >4 S+ 0 0 70 -6,-0.7 3,-0.7 1,-0.3 -1,-0.2 0.777 71.1 62.9 -59.6 -24.2 7.1 -9.7 25.3 108 110 A D G 34 S+ 0 0 128 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.669 106.2 45.8 -76.2 -13.4 8.0 -12.1 28.1 109 111 A K G <4 S+ 0 0 53 -3,-2.0 -25,-2.6 -26,-0.1 2,-0.4 0.473 108.3 62.5-103.1 -7.4 8.2 -9.2 30.6 110 112 A V E << -c 84 0A 10 -3,-0.7 2,-0.5 -4,-0.5 -25,-0.2 -0.949 54.6-161.7-129.5 140.8 5.0 -7.3 29.6 111 113 A T E -c 85 0A 63 -27,-2.3 -25,-2.8 -2,-0.4 2,-0.7 -0.989 14.3-157.4-117.2 122.7 1.3 -8.0 29.6 112 114 A I E -c 86 0A 22 -2,-0.5 2,-0.6 -27,-0.2 -25,-0.2 -0.882 7.7-163.0-102.7 113.2 -0.7 -5.7 27.3 113 115 A L E -c 87 0A 15 -27,-3.3 -25,-2.5 -2,-0.7 2,-1.1 -0.879 9.3-148.3-100.4 119.6 -4.3 -5.5 28.4 114 116 A N + 0 0 91 -2,-0.6 2,-0.3 -27,-0.2 -25,-0.2 -0.720 60.4 76.2 -88.3 97.0 -6.7 -4.1 25.8 115 117 A G S S- 0 0 19 -2,-1.1 2,-0.3 -27,-0.4 -25,-0.1 -0.960 86.0 -62.4-179.7 174.2 -9.4 -2.3 27.8 116 118 A A >> - 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