==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 18-APR-06 2GPY . COMPND 2 MOLECULE: O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR U.A.RAMAGOPAL,PATSKOVSKY Y.V.,S.C.ALMO,S.K.BURLEY,NEW YORK S . 377 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18820.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 6.9 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 . 34 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 30.2 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 3 0 0 3 2 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 3 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 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A E > 0 0 162 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 134.6 55.2 28.6 29.3 2 6 A E H > + 0 0 144 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.790 360.0 53.3 -52.4 -39.3 54.8 25.6 31.7 3 7 A R H > S+ 0 0 224 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.977 114.3 41.3 -58.1 -57.1 52.7 27.6 34.2 4 8 A L H > S+ 0 0 46 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.901 115.9 49.8 -58.7 -44.4 50.2 28.7 31.5 5 9 A K H X S+ 0 0 82 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.893 107.8 53.4 -65.8 -38.6 50.2 25.3 29.8 6 10 A H H X S+ 0 0 121 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.940 112.9 45.7 -57.6 -47.0 49.6 23.4 33.1 7 11 A Y H < S+ 0 0 62 -4,-2.1 3,-0.4 1,-0.2 4,-0.3 0.931 116.3 43.2 -59.8 -51.4 46.6 25.7 33.7 8 12 A L H >< S+ 0 0 12 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.856 111.1 55.4 -69.7 -33.5 45.2 25.3 30.1 9 13 A E H >< S+ 0 0 65 -4,-3.0 3,-1.1 1,-0.2 -1,-0.2 0.720 95.8 64.6 -74.2 -20.2 45.8 21.6 30.0 10 14 A K T 3< S+ 0 0 119 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.624 92.9 66.3 -73.7 -10.8 43.8 20.9 33.2 11 15 A Q T < S+ 0 0 55 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.522 75.4 105.0 -87.1 -5.8 40.8 22.1 31.3 12 16 A I < - 0 0 27 -3,-1.1 3,-0.1 -4,-0.1 25,-0.1 -0.671 63.9-144.4 -82.0 114.3 40.8 19.2 28.8 13 17 A P - 0 0 82 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.276 28.9 -88.4 -74.7 162.5 38.0 16.7 29.6 14 18 A A - 0 0 85 1,-0.1 2,-0.2 6,-0.0 3,-0.1 -0.395 41.3-136.4 -64.9 142.6 38.5 12.9 29.1 15 19 A R - 0 0 41 1,-0.2 5,-0.1 -2,-0.1 -1,-0.1 -0.572 40.4 -69.2 -88.3 164.4 37.7 11.5 25.6 16 20 A D >> - 0 0 79 -2,-0.2 4,-2.3 1,-0.1 3,-0.6 -0.210 49.6-115.3 -38.0 135.2 35.7 8.3 24.9 17 21 A Q H 3> S+ 0 0 147 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.840 118.6 55.2 -48.8 -36.3 37.8 5.2 26.0 18 22 A Y H 3> S+ 0 0 84 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.867 107.8 48.4 -68.8 -38.5 37.9 4.2 22.3 19 23 A I H <> S+ 0 0 1 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.875 108.5 53.2 -68.7 -39.3 39.4 7.6 21.4 20 24 A E H X S+ 0 0 39 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.860 108.1 51.2 -65.7 -34.7 42.0 7.4 24.1 21 25 A Q H X S+ 0 0 86 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.876 105.9 55.5 -67.1 -38.7 43.0 4.0 22.8 22 26 A X H X S+ 0 0 3 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.901 105.0 53.0 -56.8 -41.3 43.3 5.6 19.3 23 27 A E H X S+ 0 0 29 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.915 110.6 46.9 -60.9 -41.4 45.7 8.1 20.9 24 28 A R H X S+ 0 0 123 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.897 110.4 52.4 -67.6 -41.1 47.8 5.3 22.3 25 29 A E H X S+ 0 0 32 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.884 107.7 52.2 -58.5 -43.2 47.8 3.4 18.9 26 30 A A H <>S+ 0 0 2 -4,-2.3 5,-3.2 2,-0.2 -1,-0.2 0.879 112.3 45.1 -63.1 -41.7 49.0 6.6 17.1 27 31 A H H ><5S+ 0 0 167 -4,-1.7 3,-1.2 3,-0.2 -2,-0.2 0.948 114.9 48.1 -66.4 -49.2 51.9 6.9 19.6 28 32 A E H 3<5S+ 0 0 140 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.883 118.2 40.0 -56.0 -43.5 52.7 3.2 19.4 29 33 A Q T 3<5S- 0 0 85 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.261 111.5-117.7 -95.2 12.6 52.6 3.2 15.5 30 34 A Q T < 5 + 0 0 173 -3,-1.2 -3,-0.2 1,-0.2 -4,-0.1 0.862 60.2 153.3 50.5 44.0 54.4 6.6 15.2 31 35 A V < - 0 0 7 -5,-3.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.905 44.3-126.9 -99.2 111.2 51.4 8.2 13.5 32 36 A P + 0 0 101 0, 0.0 2,-0.3 0, 0.0 -5,-0.0 -0.315 35.2 171.0 -57.1 136.9 51.4 11.9 14.2 33 37 A I - 0 0 59 27,-0.1 3,-0.1 30,-0.1 27,-0.0 -0.961 41.2 -84.5-138.8 163.6 48.2 13.4 15.8 34 38 A X - 0 0 24 -2,-0.3 2,-0.0 1,-0.1 143,-0.0 -0.297 50.0-103.4 -66.3 147.8 47.5 16.8 17.2 35 39 A D > - 0 0 73 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.377 34.8-109.4 -67.4 152.8 48.4 17.4 20.8 36 40 A L H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.854 117.5 46.0 -56.0 -39.5 45.4 17.4 23.2 37 41 A L H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.936 112.7 48.9 -70.0 -45.5 45.5 21.1 23.8 38 42 A G H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.917 112.2 50.8 -58.0 -44.8 46.0 22.1 20.2 39 43 A X H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.908 108.1 50.0 -61.8 -45.1 43.1 19.8 19.3 40 44 A E H X S+ 0 0 24 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.915 112.4 49.8 -59.6 -42.7 40.7 21.3 22.0 41 45 A S H X S+ 0 0 12 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.944 111.5 47.4 -60.6 -48.7 41.6 24.8 20.6 42 46 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.907 110.9 51.3 -59.0 -44.9 40.9 23.8 17.0 43 47 A L H X S+ 0 0 5 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.882 109.9 50.9 -63.8 -35.9 37.6 22.1 17.9 44 48 A H H X S+ 0 0 1 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.910 108.4 50.6 -66.4 -42.2 36.6 25.3 19.7 45 49 A L H X S+ 0 0 2 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.900 111.3 50.0 -60.7 -40.5 37.4 27.5 16.7 46 50 A L H X S+ 0 0 1 -4,-2.3 4,-1.4 1,-0.2 3,-0.3 0.908 106.3 53.8 -66.6 -42.9 35.3 25.2 14.6 47 51 A K H < S+ 0 0 54 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.870 107.9 52.3 -58.5 -33.6 32.4 25.4 17.0 48 52 A X H < S+ 0 0 12 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.799 109.4 47.7 -69.9 -34.0 32.6 29.2 16.7 49 53 A A H < S- 0 0 16 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.670 96.8-149.5 -79.9 -20.6 32.5 29.1 12.9 50 54 A A < - 0 0 78 -4,-1.4 -3,-0.2 -5,-0.1 2,-0.1 0.915 21.9-169.7 52.1 56.4 29.5 26.7 13.0 51 55 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.464 27.1-166.3 -79.5 150.0 30.3 24.8 9.8 52 56 A A S S+ 0 0 54 1,-0.3 24,-2.7 23,-0.1 2,-0.4 0.695 80.7 36.5 -92.7 -30.0 27.9 22.3 8.2 53 57 A R E -a 76 0A 47 22,-0.2 71,-1.8 2,-0.0 72,-1.4 -0.984 64.1-177.5-133.9 127.4 30.6 20.9 5.8 54 58 A I E -ab 77 125A 0 22,-2.5 24,-2.7 -2,-0.4 2,-0.5 -0.979 9.9-161.6-125.8 134.7 34.3 20.2 6.4 55 59 A L E -ab 78 126A 1 70,-2.7 72,-2.8 -2,-0.4 2,-0.4 -0.965 13.1-172.3-112.8 127.3 36.9 18.9 4.0 56 60 A E E -ab 79 127A 3 22,-2.9 24,-2.4 -2,-0.5 2,-0.6 -0.973 13.3-149.7-120.1 135.3 40.1 17.6 5.5 57 61 A I E S+ab 80 128A 10 70,-2.8 72,-0.5 -2,-0.4 24,-0.1 -0.911 77.2 29.7-106.7 117.6 43.2 16.5 3.6 58 62 A G - 0 0 14 22,-3.2 23,-0.3 -2,-0.6 -1,-0.2 0.843 58.9-172.6 100.5 74.7 45.2 13.7 5.3 59 63 A T > + 0 0 3 21,-1.2 3,-2.3 47,-0.2 5,-0.3 0.799 13.6 176.1 -60.4 -38.1 43.0 11.4 7.3 60 64 A A T 3 S- 0 0 12 1,-0.3 30,-0.3 20,-0.2 -1,-0.2 -0.393 76.8 -20.1 52.6-125.7 45.8 9.4 8.9 61 65 A I T 3 S- 0 0 1 28,-0.1 -1,-0.3 29,-0.1 32,-0.2 0.320 100.0-100.5 -94.7 14.4 44.0 7.0 11.3 62 66 A G S <> S+ 0 0 0 -3,-2.3 4,-2.6 31,-0.1 5,-0.2 0.497 82.5 131.2 87.9 5.8 40.9 9.2 11.5 63 67 A Y H > S+ 0 0 5 -4,-0.3 4,-2.8 1,-0.2 5,-0.2 0.929 75.2 41.1 -56.7 -52.7 41.6 10.9 14.8 64 68 A S H > S+ 0 0 18 -5,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.900 115.7 50.7 -65.5 -40.9 41.0 14.5 13.6 65 69 A A H > S+ 0 0 0 -6,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.916 113.8 45.2 -63.4 -43.3 37.9 13.6 11.6 66 70 A I H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.935 112.2 50.5 -66.4 -48.1 36.4 11.7 14.5 67 71 A R H X S+ 0 0 21 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.914 114.1 46.3 -54.6 -45.6 37.2 14.4 17.0 68 72 A X H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.930 111.4 49.8 -63.4 -46.1 35.5 17.0 14.7 69 73 A A H < S+ 0 0 0 -4,-2.4 6,-0.2 1,-0.2 -1,-0.2 0.868 113.4 47.3 -62.1 -38.6 32.5 14.8 14.0 70 74 A Q H < S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.867 113.8 46.3 -72.3 -34.1 32.0 14.3 17.7 71 75 A A H < S+ 0 0 25 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.738 121.4 39.0 -76.5 -23.7 32.4 18.0 18.6 72 76 A L >< + 0 0 17 -4,-1.9 3,-2.0 -5,-0.2 -1,-0.3 -0.766 69.5 178.5-128.2 77.9 30.1 19.1 15.7 73 77 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.653 81.6 47.7 -63.1 -17.8 27.3 16.5 15.7 74 78 A E T 3 S+ 0 0 174 -23,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.261 94.9 94.5-103.9 8.7 25.4 18.3 12.8 75 79 A A < - 0 0 1 -3,-2.0 2,-0.4 -6,-0.2 -22,-0.2 -0.669 64.0-142.8 -91.9 155.4 28.5 18.7 10.6 76 80 A T E -a 53 0A 55 -24,-2.7 -22,-2.5 -2,-0.3 2,-0.4 -0.952 13.8-153.4-116.7 141.9 29.6 16.3 7.8 77 81 A I E -ac 54 103A 2 25,-3.3 27,-3.2 -2,-0.4 2,-0.5 -0.921 10.2-166.6-113.7 135.1 33.3 15.6 7.2 78 82 A V E -ac 55 104A 5 -24,-2.7 -22,-2.9 -2,-0.4 2,-0.4 -0.998 18.5-174.9-113.8 124.8 34.9 14.5 4.0 79 83 A S E -ac 56 105A 0 25,-2.9 27,-3.2 -2,-0.5 2,-0.5 -0.988 14.0-148.2-127.5 133.1 38.5 13.3 4.7 80 84 A I E -ac 57 106A 4 -24,-2.4 -22,-3.2 -2,-0.4 -21,-1.2 -0.895 16.1-178.8-106.0 128.3 41.1 12.3 2.1 81 85 A E - 0 0 5 25,-2.8 27,-0.4 -2,-0.5 28,-0.1 -0.978 17.1-160.5-133.3 118.1 43.7 9.6 2.8 82 86 A R + 0 0 131 -2,-0.4 2,-0.2 25,-0.2 27,-0.2 0.960 69.0 59.9 -43.4 -73.3 46.5 8.3 0.6 83 87 A D > - 0 0 46 25,-0.1 4,-3.6 1,-0.1 5,-0.1 -0.477 66.5-141.2 -94.0 141.1 47.5 4.9 2.0 84 88 A E H > S+ 0 0 109 2,-0.2 4,-5.3 1,-0.2 5,-0.1 0.820 98.8 52.3 -65.6 -43.8 45.4 1.8 2.4 85 89 A R H > S+ 0 0 178 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 119.6 35.7 -62.9 -45.2 46.8 0.6 5.8 86 90 A R H > S+ 0 0 57 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.927 121.2 49.7 -70.4 -44.3 46.2 4.0 7.5 87 91 A Y H X S+ 0 0 41 -4,-3.6 4,-2.6 1,-0.2 -2,-0.2 0.935 110.8 49.6 -57.8 -47.5 43.1 4.3 5.3 88 92 A E H X S+ 0 0 70 -4,-5.3 4,-1.9 2,-0.2 -1,-0.2 0.909 112.3 46.4 -58.0 -50.4 42.0 0.8 6.4 89 93 A E H X S+ 0 0 31 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.947 112.7 51.0 -50.4 -54.9 42.5 1.6 10.1 90 94 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 -30,-0.3 5,-0.2 0.885 107.3 53.0 -53.6 -46.7 40.7 4.9 9.8 91 95 A H H X S+ 0 0 69 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.930 111.0 46.8 -56.2 -47.7 37.7 3.2 8.1 92 96 A K H X S+ 0 0 121 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.900 111.7 49.9 -64.1 -41.8 37.4 0.7 11.0 93 97 A H H X S+ 0 0 10 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.907 111.5 48.8 -63.1 -43.7 37.7 3.5 13.7 94 98 A V H ><>S+ 0 0 2 -4,-2.6 5,-2.6 -5,-0.2 3,-0.6 0.959 114.6 45.8 -58.3 -50.7 35.0 5.5 11.9 95 99 A K H ><5S+ 0 0 102 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.873 105.7 60.7 -59.9 -38.2 32.7 2.4 11.7 96 100 A A H 3<5S+ 0 0 57 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.829 108.8 42.8 -58.4 -36.7 33.4 1.5 15.3 97 101 A L T <<5S- 0 0 37 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.319 115.9-114.0 -95.4 7.1 31.9 4.8 16.5 98 102 A G T < 5S+ 0 0 48 -3,-1.6 3,-0.3 -4,-0.2 -3,-0.2 0.776 77.9 129.0 67.0 31.4 29.0 4.6 14.1 99 103 A L >>< + 0 0 13 -5,-2.6 4,-1.7 -6,-0.2 3,-1.4 0.319 25.0 108.7-103.6 11.0 30.2 7.6 12.2 100 104 A E T 34 S+ 0 0 92 -6,-0.3 3,-0.3 1,-0.3 -1,-0.2 0.874 78.8 54.3 -50.7 -44.8 30.2 6.3 8.6 101 105 A S T 34 S+ 0 0 109 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.682 117.1 35.4 -71.2 -19.5 27.2 8.5 7.7 102 106 A R T <4 S+ 0 0 48 -3,-1.4 -25,-3.3 1,-0.2 2,-0.5 0.500 114.5 56.1-111.6 -9.0 28.9 11.7 8.9 103 107 A I E < -c 77 0A 4 -4,-1.7 2,-0.7 -3,-0.3 -1,-0.2 -0.963 66.0-165.2-125.5 113.8 32.5 11.0 7.9 104 108 A E E -c 78 0A 77 -27,-3.2 -25,-2.9 -2,-0.5 2,-0.6 -0.879 9.3-157.0 -98.6 114.1 33.2 10.2 4.3 105 109 A L E -c 79 0A 20 -2,-0.7 2,-0.5 -27,-0.2 -25,-0.2 -0.796 5.1-159.7 -94.1 122.4 36.6 8.7 3.8 106 110 A L E -c 80 0A 18 -27,-3.2 -25,-2.8 -2,-0.6 2,-0.5 -0.890 15.1-127.2-107.3 131.5 38.1 9.1 0.4 107 111 A F - 0 0 104 -2,-0.5 -25,-0.2 -27,-0.2 2,-0.1 -0.996 52.4 -37.2-118.9 118.6 40.9 6.8 -0.8 108 112 A G S S+ 0 0 11 -2,-0.5 2,-1.1 -27,-0.4 -25,-0.1 -0.807 92.1 38.9-150.4 -52.3 43.2 7.9 -1.8 109 113 A D > - 0 0 83 1,-0.2 3,-3.2 -27,-0.2 4,-0.2 -0.578 43.8-156.1 -79.1 101.1 45.3 10.3 -3.8 110 114 A A G > S+ 0 0 5 -2,-1.1 3,-0.8 1,-0.3 4,-0.4 0.651 89.3 70.7 -43.5 -22.6 43.7 13.8 -3.2 111 115 A L G 3 S+ 0 0 32 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.770 106.6 34.1 -72.0 -27.1 45.3 14.8 -6.5 112 116 A Q G < S+ 0 0 173 -3,-3.2 -1,-0.2 1,-0.1 -2,-0.2 0.047 108.0 68.7-116.4 26.4 42.9 12.6 -8.5 113 117 A L S <> S+ 0 0 23 -3,-0.8 4,-2.6 -4,-0.2 3,-0.2 0.391 73.9 87.1-112.2 -4.3 39.9 13.1 -6.2 114 118 A G H > S+ 0 0 9 -4,-0.4 4,-1.5 1,-0.2 -2,-0.1 0.769 83.7 57.1 -71.8 -27.0 39.4 16.8 -7.1 115 119 A E H 4 S+ 0 0 144 2,-0.2 4,-0.3 1,-0.1 -1,-0.2 0.861 110.8 44.0 -68.3 -41.4 37.2 15.9 -10.1 116 120 A K H >4 S+ 0 0 99 1,-0.2 3,-2.0 -3,-0.2 4,-0.3 0.973 113.9 50.3 -61.9 -56.4 34.9 14.0 -7.8 117 121 A L H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.738 94.5 69.5 -62.3 -26.5 34.9 16.7 -5.1 118 122 A E T 3< S+ 0 0 120 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.677 95.4 57.9 -71.3 -11.7 34.1 19.6 -7.4 119 123 A L T < S+ 0 0 153 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.473 91.1 91.7 -88.0 -7.1 30.6 18.1 -7.8 120 124 A Y S < S- 0 0 41 -3,-1.8 3,-0.1 -4,-0.3 2,-0.0 -0.480 93.1 -95.8 -76.2 158.2 30.1 18.3 -4.1 121 125 A P - 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