==== 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 TRANSFERASE 12-JAN-09 3FTC . COMPND 2 MOLECULE: DIMETHYLADENOSINE TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR C.TU,X.JI . 234 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12454.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 7.7 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 . 20 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0 0 2 0 2 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 1 1 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 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 12 A L 0 0 108 0, 0.0 2,-0.4 0, 0.0 89,-0.0 0.000 360.0 360.0 360.0 111.3 1.6 -2.8 -0.9 2 13 A L - 0 0 109 151,-0.0 2,-0.3 30,-0.0 151,-0.2 -0.682 360.0-160.5 -74.3 130.8 -0.2 -1.6 2.2 3 14 A V - 0 0 14 -2,-0.4 2,-0.0 1,-0.0 87,-0.0 -0.904 15.9-111.2-123.7 141.5 0.2 2.2 2.3 4 15 A S > - 0 0 34 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.311 26.8-115.6 -71.6 155.3 -0.2 4.6 5.2 5 16 A E H > S+ 0 0 94 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.882 116.6 54.8 -56.1 -39.9 -3.0 7.1 5.3 6 17 A G H > S+ 0 0 52 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.899 110.1 44.2 -61.4 -44.2 -0.5 10.0 5.1 7 18 A V H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.936 113.2 51.4 -68.2 -45.6 1.1 8.6 1.9 8 19 A L H X S+ 0 0 4 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.921 108.7 52.3 -55.2 -45.4 -2.3 7.9 0.4 9 20 A K H X S+ 0 0 91 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.894 109.0 49.4 -55.9 -44.4 -3.3 11.5 1.2 10 21 A K H X S+ 0 0 57 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.912 109.3 52.4 -59.8 -47.9 -0.2 12.9 -0.5 11 22 A I H X S+ 0 0 4 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.954 112.8 43.6 -52.3 -54.8 -0.9 10.8 -3.6 12 23 A A H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.897 111.8 55.3 -61.3 -40.5 -4.5 12.1 -3.9 13 24 A E H 3< S+ 0 0 123 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.881 99.3 60.6 -58.7 -40.8 -3.2 15.6 -3.2 14 25 A E H 3< 0 0 39 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.757 360.0 360.0 -62.8 -26.2 -0.8 15.4 -6.1 15 26 A L << 0 0 9 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.638 360.0 360.0 -67.4 360.0 -3.7 14.9 -8.5 16 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 17 28 A I 0 0 34 0, 0.0 2,-0.3 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 130.9 -8.5 17.2 -8.0 18 29 A E > - 0 0 129 -3,-0.1 3,-2.0 22,-0.1 25,-0.3 -0.895 360.0 -67.1-131.3 164.2 -11.1 19.8 -8.8 19 30 A E T 3 S+ 0 0 173 -2,-0.3 23,-0.2 1,-0.2 -1,-0.0 -0.212 120.1 25.9 -48.9 132.5 -14.9 19.8 -9.6 20 31 A G T 3 S+ 0 0 42 21,-0.5 -1,-0.2 1,-0.3 2,-0.2 0.305 87.0 137.3 93.3 -8.8 -15.5 18.1 -13.0 21 32 A N < - 0 0 9 -3,-2.0 22,-2.6 20,-0.3 23,-1.5 -0.467 44.7-147.0 -71.1 139.7 -12.4 15.9 -13.0 22 33 A T E -a 44 0A 27 62,-0.5 64,-2.4 21,-0.2 2,-0.4 -0.948 18.4-164.7-100.4 125.5 -12.5 12.3 -14.2 23 34 A V E -ab 45 86A 0 21,-2.7 23,-2.8 -2,-0.5 2,-0.5 -0.905 7.8-158.5-109.7 139.6 -10.0 10.2 -12.3 24 35 A V E -ab 46 87A 0 62,-3.1 64,-2.4 -2,-0.4 2,-0.6 -0.957 4.9-159.8-119.6 112.8 -9.0 6.7 -13.4 25 36 A E E -ab 47 88A 5 21,-3.4 23,-2.8 -2,-0.5 2,-1.4 -0.806 10.0-147.2 -93.5 121.5 -7.5 4.5 -10.7 26 37 A V E S+a 48 0A 2 62,-2.9 23,-0.1 -2,-0.6 2,-0.1 -0.642 73.8 10.3 -91.7 85.2 -5.4 1.6 -12.1 27 38 A G - 0 0 22 -2,-1.4 22,-0.2 21,-0.7 63,-0.1 -0.128 60.9-139.9 119.4 142.0 -6.0 -1.2 -9.6 28 39 A G + 0 0 0 19,-0.1 2,-0.4 -2,-0.1 3,-0.3 -0.144 46.2 143.4-125.1 38.5 -8.4 -1.6 -6.7 29 40 A G S S+ 0 0 34 1,-0.4 2,-0.1 61,-0.2 61,-0.1 -0.931 77.6 1.8-131.5 109.3 -6.3 -3.2 -4.0 30 41 A T S > S- 0 0 63 -2,-0.4 3,-1.3 24,-0.1 4,-0.5 0.709 75.1-135.8 -97.6 172.9 -7.1 -2.2 -1.5 31 42 A G T 3> S+ 0 0 6 -3,-0.3 4,-2.2 1,-0.3 5,-0.1 0.197 84.2 98.0 -68.2 18.6 -9.9 0.3 -1.6 32 43 A N H 3> S+ 0 0 59 2,-0.2 4,-1.9 -2,-0.2 -1,-0.3 0.902 87.0 43.5 -71.4 -42.1 -8.0 2.6 0.8 33 44 A L H <> S+ 0 0 6 -3,-1.3 4,-2.9 2,-0.2 5,-0.2 0.927 112.6 54.7 -64.3 -44.5 -6.7 4.7 -2.1 34 45 A T H > S+ 0 0 0 -4,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.933 108.2 48.2 -53.0 -48.1 -10.2 4.6 -3.6 35 46 A K H < S+ 0 0 130 -4,-2.2 -1,-0.2 1,-0.2 4,-0.2 0.909 112.2 48.6 -62.0 -41.2 -11.7 5.9 -0.3 36 47 A V H >< S+ 0 0 2 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.912 109.1 52.4 -67.1 -42.5 -9.1 8.7 -0.2 37 48 A L H >< S+ 0 0 0 -4,-2.9 3,-1.6 1,-0.3 5,-0.4 0.877 104.1 58.2 -57.3 -38.4 -9.7 9.7 -3.8 38 49 A L T 3< S+ 0 0 19 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.505 88.8 74.0 -76.6 -3.4 -13.4 9.9 -3.1 39 50 A Q T < S+ 0 0 123 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.335 89.5 76.9 -82.2 3.3 -12.6 12.5 -0.4 40 51 A H S < S- 0 0 55 -3,-1.6 2,-1.7 -22,-0.0 -22,-0.1 -0.832 97.7-104.9-114.4 158.0 -12.0 15.0 -3.3 41 52 A P + 0 0 71 0, 0.0 -21,-0.5 0, 0.0 -20,-0.3 -0.138 61.2 154.0 -78.0 44.4 -14.6 16.7 -5.4 42 53 A L - 0 0 5 -2,-1.7 -20,-0.2 -5,-0.4 3,-0.1 -0.294 43.8-142.1 -67.0 154.2 -14.1 14.5 -8.5 43 54 A K S S+ 0 0 143 -22,-2.6 2,-0.3 1,-0.3 -21,-0.2 0.880 82.1 1.5 -80.8 -46.3 -17.0 14.1 -11.0 44 55 A K E -a 22 0A 50 -23,-1.5 -21,-2.7 2,-0.0 2,-0.5 -0.994 57.6-157.1-148.0 139.2 -16.3 10.4 -11.7 45 56 A L E -ac 23 66A 0 20,-2.9 22,-2.7 -2,-0.3 2,-0.4 -0.952 9.7-166.1-117.3 110.0 -13.9 7.8 -10.5 46 57 A Y E -ac 24 67A 31 -23,-2.8 -21,-3.4 -2,-0.5 2,-0.5 -0.796 4.7-160.9 -87.5 134.2 -13.2 4.8 -12.8 47 58 A V E -ac 25 68A 0 20,-2.1 22,-2.9 -2,-0.4 2,-1.0 -0.971 6.5-152.6-116.5 115.5 -11.4 1.9 -11.1 48 59 A I E +ac 26 69A 3 -23,-2.8 -21,-0.7 -2,-0.5 2,-0.3 -0.764 41.2 140.1 -87.7 100.8 -9.8 -0.6 -13.5 49 60 A E + 0 0 25 20,-2.1 23,-0.1 -2,-1.0 -2,-0.1 -0.989 32.3 175.2-149.7 134.7 -9.8 -3.8 -11.5 50 61 A L + 0 0 101 -2,-0.3 -1,-0.1 20,-0.2 5,-0.1 0.715 48.7 111.8-106.8 -32.2 -10.4 -7.5 -12.4 51 62 A D > - 0 0 71 1,-0.1 4,-2.1 3,-0.1 5,-0.2 -0.225 60.7-144.4 -54.1 125.8 -9.7 -9.3 -9.1 52 63 A R H > S+ 0 0 189 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.843 97.6 46.4 -64.6 -38.1 -12.9 -10.7 -7.6 53 64 A E H > S+ 0 0 152 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.928 114.2 48.1 -70.4 -44.0 -12.0 -10.0 -4.0 54 65 A M H > S+ 0 0 65 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.811 110.2 52.5 -64.3 -33.9 -10.8 -6.5 -4.7 55 66 A V H X S+ 0 0 16 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.792 105.1 55.9 -74.1 -29.3 -14.0 -5.8 -6.7 56 67 A E H X S+ 0 0 96 -4,-1.3 4,-1.1 2,-0.2 -2,-0.2 0.919 104.7 52.7 -65.2 -45.3 -16.1 -7.0 -3.7 57 68 A N H < S+ 0 0 74 -4,-1.7 4,-0.3 1,-0.2 3,-0.3 0.857 109.2 49.7 -55.3 -39.6 -14.4 -4.4 -1.5 58 69 A L H >< S+ 0 0 2 -4,-1.2 3,-1.2 1,-0.2 -1,-0.2 0.806 100.0 66.0 -71.6 -30.6 -15.3 -1.7 -4.0 59 70 A K H 3< S+ 0 0 121 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.859 92.4 60.8 -60.0 -38.3 -18.9 -2.8 -4.1 60 71 A S T 3< S+ 0 0 103 -4,-1.1 2,-0.6 -3,-0.3 -1,-0.2 0.648 84.0 89.7 -66.7 -17.9 -19.5 -1.8 -0.5 61 72 A I < - 0 0 37 -3,-1.2 5,-0.1 -4,-0.3 -3,-0.0 -0.752 63.9-164.7 -79.7 119.0 -18.6 1.8 -1.3 62 73 A G + 0 0 81 -2,-0.6 2,-0.2 3,-0.0 -1,-0.1 0.265 36.6 137.6 -92.6 12.4 -22.0 3.4 -2.3 63 74 A D > - 0 0 53 1,-0.2 3,-1.6 2,-0.1 -2,-0.1 -0.424 50.2-145.2 -66.6 124.8 -20.6 6.6 -4.0 64 75 A E T 3 S+ 0 0 192 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.0 0.694 96.6 62.9 -60.5 -21.9 -22.5 7.3 -7.2 65 76 A R T 3 S+ 0 0 49 -21,-0.1 -20,-2.9 -23,-0.1 2,-0.5 0.604 84.4 92.9 -81.3 -14.6 -19.3 8.6 -8.8 66 77 A L E < +c 45 0A 27 -3,-1.6 2,-0.4 -22,-0.2 -20,-0.2 -0.715 47.2 173.6 -91.1 123.6 -17.5 5.3 -8.6 67 78 A E E -c 46 0A 85 -22,-2.7 -20,-2.1 -2,-0.5 2,-0.5 -0.976 19.7-147.1-131.0 120.0 -17.6 2.9 -11.5 68 79 A V E -c 47 0A 24 -2,-0.4 2,-0.5 -22,-0.2 -20,-0.2 -0.717 8.9-161.7 -87.2 128.0 -15.6 -0.3 -11.6 69 80 A I E -c 48 0A 20 -22,-2.9 -20,-2.1 -2,-0.5 2,-1.6 -0.958 13.2-142.8-109.1 122.0 -14.3 -1.5 -15.0 70 81 A N + 0 0 94 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.617 58.4 108.4 -86.5 80.9 -13.3 -5.1 -15.2 71 82 A E S S- 0 0 96 -2,-1.6 2,-0.7 5,-0.0 -2,-0.1 -0.945 75.2 -89.4-146.6 169.4 -10.3 -4.9 -17.5 72 83 A D >> - 0 0 66 -2,-0.3 3,-2.0 1,-0.1 4,-1.8 -0.724 25.6-155.1 -82.9 112.2 -6.5 -5.1 -17.5 73 84 A A T 34 S+ 0 0 10 -2,-0.7 -1,-0.1 1,-0.3 5,-0.1 0.695 93.4 62.7 -61.2 -18.5 -4.9 -1.7 -16.9 74 85 A S T 34 S+ 0 0 19 1,-0.2 -1,-0.3 28,-0.1 28,-0.1 0.650 119.8 23.2 -78.1 -15.5 -1.8 -2.9 -18.7 75 86 A K T <4 S+ 0 0 158 -3,-2.0 -2,-0.2 2,-0.0 -1,-0.2 0.478 93.3 115.4-124.9 -9.8 -3.8 -3.2 -22.0 76 87 A F < - 0 0 16 -4,-1.8 2,-1.2 1,-0.1 3,-0.1 -0.481 64.1-130.5 -75.8 129.7 -6.8 -1.0 -21.5 77 88 A P > - 0 0 67 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.654 22.2-171.0 -77.9 98.3 -7.2 2.0 -23.9 78 89 A F G >> S+ 0 0 0 -2,-1.2 3,-2.5 1,-0.3 4,-0.6 0.892 80.8 62.6 -56.8 -43.6 -7.9 4.8 -21.3 79 90 A a G 34 S+ 0 0 45 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.614 87.7 72.1 -60.5 -13.7 -8.7 7.4 -24.1 80 91 A S G <4 S+ 0 0 81 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.689 101.6 46.0 -71.9 -17.2 -11.7 5.2 -25.1 81 92 A L T <4 S- 0 0 49 -3,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.680 124.8 -13.2 -94.8 -25.8 -13.3 6.4 -21.8 82 93 A G < - 0 0 20 -4,-0.6 -1,-0.3 1,-0.1 3,-0.2 -0.975 47.0-122.6-176.6 157.1 -12.6 10.1 -21.9 83 94 A K S S+ 0 0 194 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.654 105.2 32.7 -85.4 -19.9 -10.8 13.0 -23.5 84 95 A E S S+ 0 0 104 26,-0.1 -62,-0.5 -3,-0.1 2,-0.4 -0.897 73.3 164.7-144.7 110.6 -9.3 14.2 -20.1 85 96 A L - 0 0 1 24,-2.8 27,-0.6 -2,-0.3 2,-0.6 -0.993 29.0-149.2-135.5 127.2 -8.3 11.7 -17.5 86 97 A K E -bd 23 112A 23 -64,-2.4 -62,-3.1 -2,-0.4 2,-0.3 -0.902 25.7-155.1 -92.7 123.3 -6.2 11.9 -14.3 87 98 A V E +bd 24 113A 0 25,-2.1 27,-2.2 -2,-0.6 2,-0.3 -0.773 18.4 169.5-107.7 139.0 -4.7 8.5 -13.8 88 99 A V E +bd 25 114A 0 -64,-2.4 -62,-2.9 -2,-0.3 2,-0.3 -0.995 3.0 151.1-146.6 148.2 -3.5 7.2 -10.4 89 100 A G E - d 0 115A 2 25,-1.8 27,-2.3 -2,-0.3 2,-1.0 -0.861 46.9-128.1-177.5 146.6 -2.4 3.9 -8.9 90 101 A N E - d 0 116A 33 -2,-0.3 -61,-0.2 25,-0.2 27,-0.1 -0.877 50.5-147.5 -91.7 101.0 -0.4 2.0 -6.4 91 102 A L - 0 0 9 25,-2.3 27,-0.1 -2,-1.0 5,-0.1 -0.639 5.6-127.6 -87.4 127.8 1.3 -0.2 -9.0 92 103 A P >> - 0 0 72 0, 0.0 4,-1.6 0, 0.0 3,-1.2 -0.413 27.7-117.2 -65.1 146.2 2.3 -3.9 -8.3 93 104 A Y T 34 S+ 0 0 173 1,-0.3 4,-0.4 2,-0.2 -2,-0.0 0.763 109.1 55.1 -59.9 -32.9 6.0 -4.6 -9.2 94 105 A N T 34 S+ 0 0 112 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.735 122.2 25.9 -75.5 -20.2 5.2 -7.2 -12.0 95 106 A V T <> S+ 0 0 46 -3,-1.2 4,-2.9 2,-0.1 5,-0.2 0.456 91.2 98.9-120.2 -4.8 2.9 -4.9 -14.0 96 107 A A H X S+ 0 0 1 -4,-1.6 4,-2.4 1,-0.2 5,-0.2 0.911 87.4 46.1 -52.6 -50.0 4.1 -1.4 -13.1 97 108 A S H > S+ 0 0 53 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.901 114.0 48.6 -62.0 -41.2 6.3 -1.0 -16.2 98 109 A L H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.873 111.4 49.7 -67.7 -39.8 3.5 -2.3 -18.5 99 110 A I H X S+ 0 0 8 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.918 111.6 48.3 -63.5 -44.2 0.9 0.0 -16.9 100 111 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.929 110.9 50.9 -63.1 -45.2 3.1 3.1 -17.3 101 112 A E H X S+ 0 0 16 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.923 110.7 49.9 -54.3 -47.6 3.8 2.2 -20.9 102 113 A N H X S+ 0 0 13 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.862 105.6 55.6 -61.1 -38.7 0.1 1.9 -21.5 103 114 A T H < S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.930 107.2 51.6 -58.5 -43.2 -0.6 5.3 -19.9 104 115 A V H >< S+ 0 0 0 -4,-2.0 3,-2.4 1,-0.3 -2,-0.2 0.886 101.8 57.4 -62.9 -43.4 1.9 6.8 -22.4 105 116 A Y H 3< S+ 0 0 61 -4,-2.0 3,-0.4 1,-0.3 -1,-0.3 0.854 110.8 48.0 -51.7 -33.2 0.1 5.2 -25.4 106 117 A N T >< S+ 0 0 15 -4,-1.2 3,-1.9 -3,-0.4 4,-0.4 0.048 73.9 124.3 -97.1 23.7 -2.9 7.1 -24.0 107 118 A K G X + 0 0 12 -3,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.792 59.2 73.0 -54.5 -31.1 -1.0 10.4 -23.6 108 119 A D G 3 S+ 0 0 116 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.687 112.0 26.7 -58.7 -20.3 -3.5 12.3 -25.8 109 120 A a G < S+ 0 0 5 -3,-1.9 -24,-2.8 1,-0.1 -1,-0.3 0.274 106.1 81.7-126.3 9.0 -6.1 12.1 -22.9 110 121 A V < + 0 0 0 -3,-1.0 -24,-0.1 -4,-0.4 -1,-0.1 -0.839 40.4 165.8-121.8 95.1 -3.9 11.9 -19.8 111 122 A P S S+ 0 0 42 0, 0.0 59,-2.9 0, 0.0 2,-0.3 0.709 73.6 17.6 -72.6 -25.6 -2.6 15.3 -18.7 112 123 A L E +dE 86 169A 23 -27,-0.6 -25,-2.1 57,-0.2 2,-0.3 -0.993 59.3 178.7-154.3 135.8 -1.5 14.0 -15.3 113 124 A A E -dE 87 168A 0 55,-2.0 55,-3.3 -2,-0.3 2,-0.4 -0.995 8.9-163.4-140.7 141.6 -0.7 10.6 -13.7 114 125 A V E +dE 88 167A 0 -27,-2.2 -25,-1.8 -2,-0.3 2,-0.4 -0.987 18.2 177.8-125.8 121.0 0.5 9.9 -10.2 115 126 A F E -dE 89 166A 0 51,-2.7 51,-2.6 -2,-0.4 2,-0.5 -0.968 28.3-145.1-128.9 142.3 2.0 6.4 -9.4 116 127 A M E +dE 90 165A 1 -27,-2.3 -25,-2.3 -2,-0.4 2,-0.3 -0.898 40.3 156.2 -94.9 129.3 3.5 4.6 -6.5 117 128 A V E - 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0 0 33 -2,-0.3 3,-2.0 20,-0.1 20,-0.2 -0.338 30.2-109.4 -65.2 151.6 28.0 0.6 -29.9 197 208 A L G >> S+ 0 0 0 18,-2.7 4,-3.1 1,-0.3 3,-2.5 0.820 114.7 71.2 -55.7 -35.8 25.3 2.5 -31.8 198 209 A R G 34 S+ 0 0 102 15,-2.6 -1,-0.3 1,-0.3 5,-0.3 0.780 95.3 53.9 -41.5 -39.6 27.2 1.9 -35.1 199 210 A K G <4 S+ 0 0 141 -3,-2.0 -1,-0.3 14,-0.2 -2,-0.2 0.441 119.4 31.4 -83.6 -1.9 26.1 -1.8 -34.9 200 211 A K T <4 S+ 0 0 49 -3,-2.5 -2,-0.2 1,-0.4 -1,-0.1 0.633 122.1 37.3-122.2 -37.4 22.4 -0.9 -34.6 201 212 A I S < S- 0 0 18 -4,-3.1 -1,-0.4 12,-0.1 2,-0.2 -0.937 94.4 -95.3-122.2 143.0 21.9 2.4 -36.5 202 213 A P >> - 0 0 72 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.423 31.9-132.6 -58.9 128.2 23.6 3.4 -39.8 203 214 A E H 3> S+ 0 0 71 -5,-0.3 4,-2.9 1,-0.3 5,-0.2 0.829 104.4 57.6 -50.2 -44.3 26.7 5.5 -39.1 204 215 A E H 3> S+ 0 0 128 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.828 107.9 47.3 -57.9 -38.1 25.7 8.1 -41.7 205 216 A L H <> S+ 0 0 35 -3,-1.0 4,-1.4 2,-0.2 -2,-0.2 0.911 111.2 50.6 -70.4 -45.3 22.4 8.7 -39.9 206 217 A L H <>S+ 0 0 0 -4,-2.0 5,-2.9 1,-0.2 3,-0.4 0.922 110.5 50.2 -55.9 -46.4 24.0 8.9 -36.5 207 218 A K H ><5S+ 0 0 125 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.899 107.8 53.1 -59.7 -41.7 26.5 11.5 -37.9 208 219 A E H 3<5S+ 0 0 140 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.775 108.9 49.8 -65.5 -28.5 23.6 13.5 -39.3 209 220 A A T 3<5S- 0 0 6 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.413 119.7-110.9 -87.4 -0.6 21.9 13.6 -35.9 210 221 A G T < 5S+ 0 0 60 -3,-1.4 2,-0.4 -4,-0.3 -3,-0.2 0.825 71.5 141.7 70.7 34.5 25.2 14.7 -34.2 211 222 A I < - 0 0 11 -5,-2.9 -1,-0.3 -6,-0.1 -2,-0.1 -0.898 58.1-115.6-111.1 135.5 25.6 11.4 -32.4 212 223 A N > - 0 0 71 -2,-0.4 3,-2.0 1,-0.2 -15,-0.3 -0.568 19.4-146.6 -65.0 116.3 29.0 9.6 -31.9 213 224 A P T 3 S+ 0 0 24 0, 0.0 -15,-2.6 0, 0.0 -14,-0.2 0.777 98.7 51.8 -57.7 -27.5 28.8 6.3 -33.8 214 225 A D T 3 S+ 0 0 89 -17,-0.2 2,-0.1 -18,-0.1 -2,-0.1 0.300 87.4 114.5 -94.5 9.6 30.9 4.6 -31.2 215 226 A A < - 0 0 2 -3,-2.0 -18,-2.7 -19,-0.1 2,-0.3 -0.386 63.1-131.4 -71.5 151.6 28.7 5.8 -28.3 216 227 A R > - 0 0 75 -20,-0.2 3,-2.3 -19,-0.1 4,-0.4 -0.707 34.1-102.1 -92.8 160.8 26.7 3.3 -26.2 217 228 A V G > S+ 0 0 4 -24,-0.4 3,-1.1 -22,-0.4 -23,-0.1 0.774 118.9 72.3 -54.5 -26.1 23.0 4.1 -25.6 218 229 A E G 3 S+ 0 0 123 -25,-0.2 -1,-0.3 1,-0.2 -87,-0.1 0.799 90.8 58.8 -58.3 -28.3 24.1 5.4 -22.1 219 230 A Q G < S+ 0 0 121 -3,-2.3 -1,-0.2 -7,-0.1 -2,-0.2 0.727 84.1 103.3 -76.1 -22.7 25.7 8.4 -23.7 220 231 A L < - 0 0 21 -3,-1.1 2,-0.2 -4,-0.4 -9,-0.0 -0.323 55.9-153.7 -70.4 138.8 22.5 9.7 -25.4 221 232 A S > - 0 0 56 -2,-0.1 4,-1.4 1,-0.1 3,-0.1 -0.506 35.8 -99.4 -94.6 174.6 20.5 12.6 -24.0 222 233 A L H > S+ 0 0 35 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.934 124.4 53.7 -61.0 -47.2 16.7 13.1 -24.6 223 234 A E H > S+ 0 0 118 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.813 101.3 61.8 -54.6 -36.1 17.4 15.6 -27.4 224 235 A D H > S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.944 101.6 50.5 -58.7 -49.7 19.6 13.0 -29.1 225 236 A F H X S+ 0 0 6 -4,-1.4 4,-2.5 -3,-0.3 -1,-0.2 0.875 113.0 46.7 -53.6 -40.6 16.7 10.6 -29.5 226 237 A F H X S+ 0 0 27 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.867 108.4 54.6 -72.9 -37.9 14.6 13.4 -31.1 227 238 A K H < S+ 0 0 87 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.890 115.7 39.7 -60.8 -41.2 17.4 14.5 -33.4 228 239 A L H >X S+ 0 0 1 -4,-2.1 3,-0.7 -5,-0.2 4,-0.6 0.890 113.4 54.0 -75.2 -42.5 17.6 10.9 -34.8 229 240 A Y H >X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 3,-1.3 0.883 100.4 58.5 -65.7 -37.8 13.9 10.2 -34.8 230 241 A R H 3< S+ 0 0 162 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.791 101.5 59.6 -62.5 -24.2 12.9 13.2 -36.9 231 242 A L H <4 S+ 0 0 46 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.737 115.8 30.2 -71.5 -25.3 15.3 11.9 -39.6 232 243 A I H << S+ 0 0 79 -3,-1.3 2,-0.2 -4,-0.6 -2,-0.2 0.545 86.2 117.2-113.6 -9.3 13.4 8.6 -40.0 233 244 A E < - 0 0 32 -4,-1.7 -57,-0.0 1,-0.1 -4,-0.0 -0.434 68.0-117.7 -69.5 129.5 9.8 9.5 -39.1 234 245 A D 0 0 107 -2,-0.2 -57,-0.1 1,-0.1 -1,-0.1 -0.271 360.0 360.0 -66.9 148.4 7.5 8.9 -42.2 235 246 A S 0 0 147 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.414 360.0 360.0 -91.5 360.0 5.7 11.9 -43.7