==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 27-SEP-10 3OZS . 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) . 11980.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 15 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.0 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 . 7 3.3 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 1 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 151 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 119.0 -32.6 37.1 23.4 2 4 A T > - 0 0 62 1,-0.1 4,-2.0 0, 0.0 5,-0.2 -0.651 360.0-110.4-107.0 164.6 -31.1 35.6 20.2 3 5 A K H > S+ 0 0 49 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.861 118.4 54.0 -54.7 -42.9 -32.1 32.8 17.9 4 6 A E H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 107.4 49.2 -65.1 -39.9 -29.3 30.6 19.1 5 7 A Q H > S+ 0 0 95 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.879 109.0 54.1 -66.5 -35.9 -30.4 31.0 22.7 6 8 A R H X S+ 0 0 78 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.864 106.9 51.2 -63.3 -38.1 -33.9 30.1 21.6 7 9 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.936 111.5 47.0 -64.5 -49.2 -32.6 26.9 20.0 8 10 A L H X S+ 0 0 17 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.942 112.4 49.2 -55.7 -50.2 -30.7 25.9 23.3 9 11 A R H X S+ 0 0 137 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.930 108.9 53.8 -60.7 -40.9 -33.7 26.7 25.5 10 12 A Y H X S+ 0 0 56 -4,-2.1 4,-1.8 1,-0.2 5,-0.3 0.924 110.5 47.1 -58.2 -45.4 -35.9 24.6 23.1 11 13 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 3,-0.3 0.940 110.3 51.1 -60.2 -50.0 -33.5 21.7 23.5 12 14 A Q H < S+ 0 0 69 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.867 116.2 43.5 -58.1 -34.9 -33.4 22.0 27.3 13 15 A Q H < S+ 0 0 137 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.728 128.8 21.4 -81.2 -24.4 -37.2 22.0 27.4 14 16 A N H < S+ 0 0 93 -4,-1.8 -3,-0.2 -3,-0.3 -2,-0.2 0.674 102.3 79.8-118.0 -25.9 -37.9 19.2 24.9 15 17 A A S < S- 0 0 12 -4,-3.0 8,-0.1 -5,-0.3 6,-0.0 -0.354 79.5-107.3 -88.9 166.4 -34.9 16.9 24.5 16 18 A K > - 0 0 134 3,-0.3 3,-2.0 -2,-0.1 7,-0.2 -0.839 36.9-114.1 -95.7 122.3 -33.9 14.1 26.8 17 19 A P T 3 S+ 0 0 92 0, 0.0 87,-0.2 0, 0.0 86,-0.1 -0.268 100.3 15.4 -56.7 138.1 -30.8 14.8 28.9 18 20 A G T 3 S+ 0 0 48 85,-3.1 86,-0.2 84,-0.2 85,-0.1 0.539 99.5 111.1 74.6 11.8 -27.9 12.6 28.0 19 21 A D <> - 0 0 56 -3,-2.0 4,-1.7 84,-0.3 -3,-0.3 -0.895 45.0-174.1-120.2 95.6 -29.6 11.5 24.7 20 22 A P H > S+ 0 0 26 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.897 85.2 54.8 -59.4 -39.7 -27.6 12.9 21.7 21 23 A Q H > S+ 0 0 68 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.911 106.8 51.9 -60.7 -41.0 -30.2 11.7 19.2 22 24 A S H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.880 108.2 51.0 -59.9 -40.8 -32.9 13.5 21.1 23 25 A V H X S+ 0 0 0 -4,-1.7 4,-2.5 -7,-0.2 5,-0.2 0.942 111.0 48.3 -63.6 -47.2 -30.9 16.7 21.0 24 26 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.941 111.5 50.0 -61.2 -44.9 -30.4 16.5 17.3 25 27 A E H X S+ 0 0 105 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.904 110.0 50.5 -62.1 -37.9 -34.0 15.8 16.7 26 28 A A H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.914 111.1 48.3 -66.6 -43.4 -35.1 18.8 18.8 27 29 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.939 112.4 49.0 -60.7 -47.6 -32.8 21.1 17.0 28 30 A D H X S+ 0 0 20 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.898 111.3 49.4 -60.3 -41.9 -34.0 19.9 13.6 29 31 A T H X S+ 0 0 51 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.933 112.0 48.1 -60.7 -47.9 -37.7 20.3 14.7 30 32 A Y H X>S+ 0 0 24 -4,-2.5 4,-2.9 1,-0.2 5,-1.5 0.929 115.3 43.7 -62.8 -44.7 -37.1 23.8 15.9 31 33 A C H <5S+ 0 0 3 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.771 115.5 48.7 -74.1 -24.5 -35.3 24.9 12.8 32 34 A T H <5S+ 0 0 80 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.894 126.2 25.1 -74.7 -41.2 -37.7 23.2 10.4 33 35 A Q H <5S+ 0 0 141 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.760 133.5 20.3 -97.3 -31.8 -40.8 24.6 12.1 34 36 A K T <5S+ 0 0 141 -4,-2.9 2,-0.3 -5,-0.3 -3,-0.2 0.830 120.9 0.2-114.2 -53.9 -39.9 27.9 13.8 35 37 A E < - 0 0 47 -5,-1.5 -1,-0.2 -32,-0.0 -2,-0.1 -0.919 64.5-123.1-149.9 122.1 -36.6 29.6 12.6 36 38 A W + 0 0 103 -2,-0.3 2,-0.3 -4,-0.1 -4,-0.1 -0.316 36.0 177.2 -53.6 140.8 -34.2 28.6 9.9 37 39 A A - 0 0 0 2,-0.1 2,-1.4 -6,-0.1 -2,-0.0 -0.986 40.0-107.5-148.5 155.1 -30.6 28.2 11.2 38 40 A M + 0 0 99 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.169 64.7 136.8 -77.3 42.6 -27.3 27.1 9.6 39 41 A N - 0 0 3 -2,-1.4 158,-0.2 1,-0.1 -2,-0.1 -0.655 68.1-114.4 -77.6 154.9 -26.9 23.7 11.2 40 42 A V > - 0 0 2 -2,-0.3 4,-0.5 1,-0.1 5,-0.2 0.845 54.1-149.4 -64.5 -27.1 -25.8 21.0 8.8 41 43 A G H > - 0 0 2 1,-0.2 4,-1.4 3,-0.1 -1,-0.1 -0.147 25.0 -69.4 82.0 173.7 -29.2 19.3 9.2 42 44 A D H > S+ 0 0 63 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.833 122.8 55.7 -76.5 -34.1 -30.3 15.7 9.0 43 45 A A H > S+ 0 0 48 2,-0.2 4,-0.9 1,-0.2 3,-0.2 0.974 119.8 30.8 -65.6 -56.7 -29.8 15.1 5.3 44 46 A K H X S+ 0 0 30 -4,-0.5 4,-2.5 151,-0.4 3,-0.2 0.853 115.1 64.5 -66.3 -31.4 -26.2 16.1 5.2 45 47 A G H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.898 96.8 55.0 -59.2 -38.8 -25.8 14.9 8.7 46 48 A Q H X S+ 0 0 111 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.849 108.1 49.9 -64.2 -33.4 -26.6 11.3 7.7 47 49 A I H X S+ 0 0 44 -4,-0.9 4,-2.5 -3,-0.2 -2,-0.2 0.940 109.5 50.2 -70.5 -45.0 -23.7 11.5 5.2 48 50 A M H X S+ 0 0 6 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.920 109.0 53.0 -51.9 -45.7 -21.4 12.9 7.9 49 51 A D H X S+ 0 0 12 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.918 109.1 49.3 -59.4 -42.7 -22.4 9.9 10.1 50 52 A A H X S+ 0 0 60 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.916 112.7 46.8 -68.9 -37.6 -21.6 7.4 7.4 51 53 A V H X S+ 0 0 8 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.953 112.3 49.4 -69.5 -43.0 -18.2 9.0 6.8 52 54 A I H X S+ 0 0 3 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.927 111.5 49.9 -58.1 -47.1 -17.3 9.2 10.5 53 55 A R H < S+ 0 0 152 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.889 109.3 52.9 -61.5 -38.7 -18.3 5.5 10.9 54 56 A E H < S+ 0 0 127 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.937 119.4 31.1 -64.2 -43.6 -16.1 4.5 7.9 55 57 A Y H < S- 0 0 114 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.631 83.5-154.2 -91.8 -18.7 -13.0 6.2 9.2 56 58 A S < - 0 0 68 -4,-2.4 -3,-0.1 -5,-0.2 -4,-0.1 0.887 23.2-154.6 45.9 53.5 -13.4 5.8 12.9 57 59 A P - 0 0 6 0, 0.0 22,-0.3 0, 0.0 3,-0.2 -0.378 21.3-159.8 -66.9 145.0 -11.2 8.9 13.6 58 60 A S S S+ 0 0 78 1,-0.3 25,-2.5 24,-0.1 2,-0.4 0.697 84.6 30.0 -87.7 -26.1 -9.4 9.2 16.9 59 61 A L E S+a 83 0A 17 23,-0.2 75,-2.3 2,-0.0 76,-1.4 -0.948 70.2 179.7-142.1 113.7 -8.9 12.9 16.6 60 62 A V E -ab 84 135A 0 23,-2.4 25,-2.8 -2,-0.4 2,-0.5 -0.942 12.4-157.6-116.2 138.8 -11.3 15.2 14.8 61 63 A L E -ab 85 136A 0 74,-2.2 76,-2.6 -2,-0.4 2,-0.5 -0.982 8.4-164.9-111.5 124.6 -11.0 19.1 14.3 62 64 A E E -ab 86 137A 1 23,-2.8 25,-2.9 -2,-0.5 2,-0.7 -0.942 6.6-157.3-105.0 130.2 -14.2 21.0 13.6 63 65 A L E S+ab 87 138A 3 74,-2.9 76,-2.3 -2,-0.5 25,-0.1 -0.938 76.0 27.8-104.5 109.2 -13.9 24.6 12.3 64 66 A G - 0 0 9 23,-2.4 -1,-0.2 -2,-0.7 24,-0.2 0.831 56.0-179.7 107.6 83.0 -17.2 26.3 13.1 65 67 A A > + 0 0 4 22,-0.8 3,-2.5 1,-0.2 2,-0.6 0.897 15.4 165.6 -80.5 -40.7 -19.2 25.1 16.1 66 68 A Y T 3 S- 0 0 32 1,-0.3 31,-0.4 2,-0.1 -1,-0.2 -0.503 79.7 -13.2 61.4-111.0 -22.1 27.5 15.8 67 69 A C T 3 S- 0 0 0 -2,-0.6 -1,-0.3 29,-0.1 33,-0.1 0.354 100.1-104.0-102.3 -1.3 -24.8 25.9 18.2 68 70 A G S <> S+ 0 0 0 -3,-2.5 4,-2.7 -4,-0.1 5,-0.2 0.512 79.7 132.4 92.3 8.2 -23.0 22.6 18.5 69 71 A Y H > S+ 0 0 2 -4,-0.4 4,-2.4 1,-0.2 5,-0.1 0.954 79.6 38.4 -56.6 -52.8 -25.3 20.5 16.1 70 72 A S H > S+ 0 0 3 -5,-0.4 4,-2.7 2,-0.2 5,-0.3 0.840 113.3 57.8 -68.6 -32.0 -22.4 19.0 14.2 71 73 A A H > S+ 0 0 0 -6,-0.3 4,-2.8 2,-0.2 5,-0.3 0.934 110.3 43.3 -62.2 -41.1 -20.3 18.6 17.4 72 74 A V H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.929 113.8 52.7 -65.8 -45.8 -23.2 16.5 18.9 73 75 A R H < S+ 0 0 4 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.927 118.3 34.5 -55.5 -47.2 -23.5 14.6 15.6 74 76 A M H >< S+ 0 0 4 -4,-2.7 3,-1.7 1,-0.2 4,-0.5 0.925 114.9 54.0 -76.7 -46.4 -19.8 13.7 15.4 75 77 A A H >< S+ 0 0 1 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.857 100.0 62.0 -63.2 -34.6 -19.0 13.2 19.1 76 78 A R T 3< S+ 0 0 58 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.659 107.3 46.6 -63.5 -18.1 -21.9 10.7 19.6 77 79 A L T < S+ 0 0 29 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.417 86.0 112.7-103.8 0.0 -20.1 8.4 17.0 78 80 A L < - 0 0 15 -3,-1.4 3,-0.1 -4,-0.5 -20,-0.1 -0.484 67.3-121.2 -75.9 143.9 -16.6 8.6 18.4 79 81 A Q > - 0 0 120 -22,-0.3 3,-2.0 1,-0.2 -1,-0.1 -0.256 49.3 -68.3 -72.7 163.4 -15.1 5.5 20.0 80 82 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.332 123.2 15.4 -56.7 132.0 -14.0 5.5 23.6 81 83 A G T 3 S+ 0 0 72 1,-0.3 -2,-0.0 -3,-0.1 2,-0.0 0.134 93.8 125.9 89.7 -17.5 -10.9 7.8 24.1 82 84 A A < - 0 0 8 -3,-2.0 2,-0.4 -7,-0.1 -1,-0.3 -0.321 48.0-145.4 -70.7 158.1 -11.3 9.6 20.8 83 85 A R E -a 59 0A 75 -25,-2.5 -23,-2.4 -3,-0.1 2,-0.4 -0.971 13.9-157.6-131.2 143.1 -11.5 13.4 20.9 84 86 A L E -ac 60 110A 0 25,-2.5 27,-2.3 -2,-0.4 2,-0.5 -0.980 8.9-166.2-116.0 128.0 -13.3 16.2 19.0 85 87 A L E -ac 61 111A 0 -25,-2.8 -23,-2.8 -2,-0.4 2,-0.5 -0.971 9.3-167.5-106.6 129.2 -11.7 19.7 19.1 86 88 A T E -ac 62 112A 0 25,-2.6 27,-2.8 -2,-0.5 2,-0.4 -0.991 8.3-149.4-128.3 126.8 -14.1 22.4 17.9 87 89 A M E +ac 63 113A 8 -25,-2.9 -23,-2.4 -2,-0.5 -22,-0.8 -0.811 20.0 169.7 -96.5 128.2 -13.1 26.0 17.0 88 90 A E E - c 0 114A 18 25,-2.8 27,-0.7 -2,-0.4 6,-0.1 -0.957 18.6-169.2-143.4 116.0 -15.5 28.8 17.5 89 91 A I S S+ 0 0 77 -2,-0.4 27,-0.1 25,-0.2 -1,-0.1 0.823 73.1 79.2 -79.4 -27.0 -14.4 32.5 17.3 90 92 A N > - 0 0 63 1,-0.2 4,-2.3 25,-0.1 5,-0.2 -0.671 68.9-156.3 -83.3 116.1 -17.7 33.8 18.6 91 93 A P H > S+ 0 0 84 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.825 92.9 55.8 -68.3 -24.3 -17.8 33.5 22.5 92 94 A D H > S+ 0 0 119 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.934 111.1 44.8 -67.9 -44.6 -21.6 33.5 22.6 93 95 A C H > S+ 0 0 16 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.862 110.7 54.7 -62.2 -42.1 -21.7 30.5 20.1 94 96 A A H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.907 109.2 47.6 -62.9 -40.8 -18.9 28.8 22.1 95 97 A A H X S+ 0 0 58 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.910 112.2 48.6 -66.8 -43.2 -21.0 29.0 25.2 96 98 A I H X S+ 0 0 12 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.910 110.7 51.5 -59.1 -49.1 -24.1 27.7 23.5 97 99 A T H X S+ 0 0 0 -4,-2.7 4,-2.7 -31,-0.4 5,-0.2 0.930 108.7 50.6 -55.2 -42.4 -22.2 24.8 22.0 98 100 A Q H X S+ 0 0 62 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.938 112.0 47.7 -63.5 -41.9 -20.7 23.8 25.5 99 101 A Q H X S+ 0 0 86 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.868 110.9 51.2 -66.7 -35.2 -24.2 23.9 26.9 100 102 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.944 112.6 45.7 -67.4 -45.6 -25.6 21.8 24.0 101 103 A L H X>S+ 0 0 1 -4,-2.7 5,-2.8 2,-0.2 4,-0.8 0.880 112.3 51.8 -61.0 -39.3 -22.8 19.2 24.5 102 104 A N H ><5S+ 0 0 62 -4,-2.5 3,-1.1 -5,-0.2 -2,-0.2 0.936 109.0 49.9 -64.1 -47.2 -23.3 19.2 28.3 103 105 A F H 3<5S+ 0 0 40 -4,-2.6 -85,-3.1 1,-0.3 -84,-0.3 0.922 111.2 49.5 -58.3 -42.9 -27.0 18.6 27.8 104 106 A A H 3<5S- 0 0 1 -4,-2.2 -1,-0.3 -87,-0.2 -2,-0.2 0.612 112.3-119.1 -72.7 -11.2 -26.3 15.7 25.4 105 107 A G T <<5S+ 0 0 42 -3,-1.1 3,-0.3 -4,-0.8 -3,-0.2 0.659 83.8 114.2 79.9 20.6 -23.8 14.1 27.8 106 108 A L >>< + 0 0 17 -5,-2.8 3,-1.7 -6,-0.2 4,-0.7 0.377 32.5 109.1-108.2 9.2 -20.9 14.5 25.3 107 109 A Q G >4 S+ 0 0 68 -6,-0.7 3,-0.6 1,-0.3 -1,-0.2 0.751 70.3 61.2 -61.2 -27.6 -18.8 17.0 27.2 108 110 A D G 34 S+ 0 0 150 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.808 106.1 46.8 -74.1 -21.1 -16.0 14.6 28.1 109 111 A K G <4 S+ 0 0 48 -3,-1.7 -25,-2.5 -26,-0.1 2,-0.4 0.590 105.8 68.6 -90.6 -11.4 -15.2 13.9 24.4 110 112 A V E << -c 84 0A 9 -4,-0.7 2,-0.5 -3,-0.6 -25,-0.2 -0.866 54.2-166.3-126.8 139.0 -15.2 17.5 23.2 111 113 A T E -c 85 0A 51 -27,-2.3 -25,-2.6 -2,-0.4 2,-0.5 -0.993 16.5-146.6-122.3 121.2 -12.9 20.5 23.7 112 114 A I E -c 86 0A 20 -2,-0.5 2,-0.6 -27,-0.2 -25,-0.2 -0.785 7.5-160.0 -89.2 127.0 -14.1 23.9 22.7 113 115 A L E -c 87 0A 1 -27,-2.8 -25,-2.8 -2,-0.5 2,-0.9 -0.961 4.1-159.2-109.2 114.3 -11.5 26.3 21.4 114 116 A N E +c 88 0A 94 -2,-0.6 2,-0.3 -27,-0.2 -25,-0.2 -0.821 51.7 66.9 -97.3 99.8 -12.6 30.0 21.6 115 117 A G S S- 0 0 20 -2,-0.9 2,-0.3 -27,-0.7 -25,-0.1 -0.985 84.8 -59.5 171.4 176.6 -10.5 32.0 19.3 116 118 A A >> - 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