==== 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 30-DEC-05 2FIW . COMPND 2 MOLECULE: GCN5-RELATED N-ACETYLTRANSFERASE:AMINOTRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR Y.KIM,T.SKARINA,O.ONOPRIYENKO,A.SAVCHENKO,A.EDWARDS,A.JOACHI . 160 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 25.0 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 7 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 0 0 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 0 2 1 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 -2 A G 0 0 133 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.8 5.4 44.0 32.2 2 -1 A H - 0 0 161 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.962 360.0-100.4-138.0 153.0 7.8 41.1 32.8 3 0 A X - 0 0 170 -2,-0.3 2,-0.6 1,-0.1 0, 0.0 -0.480 31.8-134.4 -71.9 142.2 7.6 37.6 34.3 4 1 A V - 0 0 128 -2,-0.2 2,-0.2 0, 0.0 -1,-0.1 -0.893 21.2-146.8-101.6 117.8 8.9 37.2 37.9 5 2 A X - 0 0 78 -2,-0.6 2,-0.2 1,-0.1 93,-0.1 -0.511 11.2-121.7 -81.4 148.0 11.1 34.1 38.3 6 3 A S - 0 0 97 -2,-0.2 -1,-0.1 91,-0.1 0, 0.0 -0.530 30.9-116.4 -71.2 153.6 11.4 32.0 41.4 7 4 A T - 0 0 106 -2,-0.2 92,-0.1 95,-0.0 2,-0.1 -0.808 28.6-125.6 -91.2 132.5 14.9 31.8 42.9 8 5 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 61,-0.2 -0.432 25.2-105.5 -72.3 157.9 16.4 28.3 42.9 9 6 A A E -A 68 0A 61 59,-1.1 59,-2.8 -2,-0.1 2,-0.4 -0.568 35.3-153.6 -72.1 144.7 17.7 26.7 46.1 10 7 A L E +A 67 0A 56 57,-0.2 57,-0.2 -2,-0.2 66,-0.0 -0.973 17.6 170.7-124.5 138.1 21.5 26.5 46.3 11 8 A R E -A 66 0A 73 55,-1.8 55,-3.2 -2,-0.4 3,-0.1 -0.990 38.4 -91.9-143.1 150.3 23.5 24.0 48.2 12 9 A P E -A 65 0A 88 0, 0.0 2,-0.3 0, 0.0 53,-0.2 -0.198 50.8 -94.5 -59.6 151.9 27.2 23.2 48.4 13 10 A Y - 0 0 24 51,-2.6 51,-0.1 46,-0.1 52,-0.0 -0.509 41.3-161.1 -70.1 131.3 28.7 20.5 46.1 14 11 A L > - 0 0 74 -2,-0.3 3,-3.0 -3,-0.1 4,-0.2 -0.836 31.4-112.9-114.3 151.8 28.9 17.0 47.7 15 12 A P G > S+ 0 0 101 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.803 117.4 61.4 -51.8 -30.8 31.0 14.0 46.5 16 13 A E G 3 S+ 0 0 135 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.540 93.7 64.5 -71.6 -11.8 27.7 12.2 45.6 17 14 A D G <> S+ 0 0 15 -3,-3.0 4,-2.1 1,-0.2 -1,-0.3 0.381 70.6 105.9 -91.4 3.5 27.0 15.0 43.1 18 15 A A H <> S+ 0 0 33 -3,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.873 81.9 39.9 -51.6 -48.8 30.0 14.1 41.0 19 16 A A H > S+ 0 0 76 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.884 114.5 49.0 -74.6 -43.7 28.1 12.5 38.1 20 17 A V H > S+ 0 0 64 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.831 111.9 51.9 -65.3 -30.8 25.1 14.9 37.8 21 18 A T H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.900 109.6 47.7 -70.1 -43.4 27.5 17.8 37.8 22 19 A A H X S+ 0 0 19 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.846 112.2 52.5 -64.8 -34.8 29.6 16.3 35.0 23 20 A A H X S+ 0 0 53 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.830 108.8 47.0 -69.5 -37.7 26.3 15.7 33.2 24 21 A I H X S+ 0 0 6 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.875 112.5 53.2 -68.8 -37.3 25.1 19.3 33.5 25 22 A F H X S+ 0 0 2 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.939 112.4 40.3 -65.8 -52.1 28.5 20.5 32.3 26 23 A V H X S+ 0 0 40 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.885 117.1 49.2 -68.7 -37.3 28.6 18.4 29.1 27 24 A A H X S+ 0 0 10 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.877 110.4 51.3 -69.4 -37.3 24.9 18.9 28.3 28 25 A S H X S+ 0 0 12 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.899 114.4 43.9 -61.4 -45.0 25.3 22.7 28.8 29 26 A I H X S+ 0 0 1 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.948 114.7 47.2 -66.4 -53.1 28.4 22.8 26.5 30 27 A E H < S+ 0 0 114 -4,-2.6 3,-0.2 1,-0.2 4,-0.2 0.957 123.8 31.7 -51.8 -54.1 26.9 20.5 23.7 31 28 A Q H < S+ 0 0 116 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.646 122.4 40.8 -87.7 -20.0 23.6 22.3 23.5 32 29 A L H < S+ 0 0 63 -4,-1.7 -1,-0.2 -5,-0.2 -3,-0.2 0.491 105.6 55.6-112.0 0.0 24.3 26.0 24.4 33 30 A T >X + 0 0 2 -4,-1.1 4,-1.9 -3,-0.2 3,-1.5 0.335 66.1 107.8-117.8 5.7 27.6 26.9 22.6 34 31 A A T 34 S+ 0 0 66 1,-0.3 -1,-0.1 -4,-0.2 5,-0.1 0.776 75.7 58.1 -62.1 -31.2 27.0 26.1 18.9 35 32 A D T 34 S+ 0 0 161 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.679 121.1 26.2 -76.3 -13.7 26.8 29.7 17.7 36 33 A D T <4 S+ 0 0 74 -3,-1.5 2,-0.4 1,-0.2 -2,-0.2 0.545 120.7 48.6-122.9 -11.2 30.3 30.5 19.1 37 34 A Y S < S- 0 0 8 -4,-1.9 -1,-0.2 114,-0.1 2,-0.1 -0.998 73.4-128.6-137.3 133.6 32.1 27.2 19.1 38 35 A S >> - 0 0 55 -2,-0.4 4,-2.3 -3,-0.1 3,-0.9 -0.366 38.8 -93.2 -77.2 159.0 32.5 24.5 16.4 39 36 A E H 3> S+ 0 0 134 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.747 124.9 45.4 -31.3 -48.4 31.9 20.8 16.9 40 37 A E H 3> S+ 0 0 114 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.815 110.0 53.1 -77.0 -36.5 35.5 19.9 17.8 41 38 A Q H <> S+ 0 0 39 -3,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.934 109.8 49.5 -60.7 -48.2 35.9 22.9 20.2 42 39 A Q H X S+ 0 0 30 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.839 109.5 52.7 -59.4 -36.4 32.8 21.7 22.1 43 40 A E H X S+ 0 0 130 -4,-1.3 4,-1.3 -5,-0.3 -1,-0.2 0.873 111.3 44.6 -70.0 -40.3 34.1 18.2 22.3 44 41 A A H < S+ 0 0 5 -4,-1.8 4,-0.2 2,-0.2 -2,-0.2 0.914 114.0 50.0 -68.8 -46.3 37.5 19.3 23.8 45 42 A W H >< S+ 0 0 25 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.960 115.8 42.2 -53.3 -57.3 35.8 21.6 26.2 46 43 A A H >< S+ 0 0 13 -4,-2.5 3,-2.1 1,-0.3 -1,-0.2 0.748 96.6 77.6 -61.4 -28.0 33.3 18.9 27.4 47 44 A S G >< S+ 0 0 21 -4,-1.3 3,-1.5 1,-0.3 4,-0.5 0.593 72.8 83.3 -66.1 -7.3 36.0 16.2 27.5 48 45 A A G < S+ 0 0 35 -3,-1.3 3,-0.5 1,-0.3 -1,-0.3 0.808 83.2 59.1 -65.1 -27.0 37.1 17.7 30.8 49 46 A A G < S+ 0 0 10 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.509 87.2 81.4 -77.8 -4.4 34.4 15.7 32.5 50 47 A D S < S+ 0 0 127 -3,-1.5 2,-1.6 1,-0.2 -1,-0.2 0.901 79.9 63.1 -65.4 -49.7 36.2 12.5 31.1 51 48 A D S > S- 0 0 91 -4,-0.5 4,-2.8 -3,-0.5 5,-0.2 -0.669 76.3-174.0 -79.0 88.1 38.8 12.4 33.8 52 49 A E H > S+ 0 0 159 -2,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.860 76.2 48.6 -55.5 -46.1 36.3 11.9 36.6 53 50 A A H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.881 116.1 43.4 -62.2 -41.3 38.6 12.1 39.6 54 51 A K H > S+ 0 0 143 2,-0.2 4,-1.6 -3,-0.2 -2,-0.2 0.820 113.0 51.2 -79.5 -36.0 40.2 15.4 38.3 55 52 A F H X S+ 0 0 7 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.943 114.8 44.6 -60.2 -48.8 36.9 16.9 37.3 56 53 A A H X S+ 0 0 23 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.886 110.4 54.9 -63.8 -40.2 35.6 16.1 40.8 57 54 A A H X S+ 0 0 55 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.861 105.0 52.8 -61.7 -37.5 38.8 17.4 42.5 58 55 A R H < S+ 0 0 89 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.913 115.4 42.0 -64.3 -41.8 38.5 20.8 40.8 59 56 A L H >< S+ 0 0 0 -4,-1.4 3,-1.2 1,-0.2 5,-0.3 0.929 115.6 46.3 -66.9 -51.3 34.9 21.1 42.1 60 57 A S H 3< S+ 0 0 87 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.726 111.9 51.6 -71.5 -22.5 35.6 19.7 45.6 61 58 A G T 3< S+ 0 0 69 -4,-1.6 -1,-0.3 -5,-0.2 2,-0.2 0.375 110.4 56.2 -96.8 1.8 38.7 21.9 46.1 62 59 A Q S < S- 0 0 29 -3,-1.2 2,-0.9 -4,-0.1 18,-0.2 -0.561 103.4 -88.4-114.3-178.2 36.8 25.1 45.1 63 60 A L E + B 0 79A 69 16,-2.6 16,-2.8 -2,-0.2 2,-0.5 -0.843 57.1 178.3 -96.6 100.9 33.7 26.7 46.4 64 61 A T E - B 0 78A 9 -2,-0.9 -51,-2.6 -5,-0.3 2,-0.4 -0.911 12.2-169.3-117.1 123.2 31.0 24.9 44.3 65 62 A L E -AB 12 77A 25 12,-2.4 12,-2.1 -2,-0.5 2,-0.5 -0.868 10.0-148.1-112.8 144.3 27.3 25.5 44.6 66 63 A I E -AB 11 76A 1 -55,-3.2 -55,-1.8 -2,-0.4 2,-0.4 -0.954 9.7-143.5-113.8 126.3 24.5 23.5 43.0 67 64 A A E -AB 10 75A 0 8,-2.9 7,-3.0 -2,-0.5 8,-1.0 -0.756 21.9-167.1 -87.3 131.3 21.2 25.1 41.9 68 65 A T E -AB 9 73A 14 -59,-2.8 -59,-1.1 -2,-0.4 2,-0.4 -0.868 18.6-168.4-117.3 149.6 18.1 22.9 42.4 69 66 A L E > S- B 0 72A 28 3,-2.1 3,-2.7 -2,-0.3 -2,-0.0 -0.978 89.7 -8.9-132.2 132.2 14.5 23.0 41.2 70 67 A Q T 3 S- 0 0 183 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 0.811 131.2 -60.7 41.8 38.7 12.1 20.6 43.0 71 68 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.3 -62,-0.0 -3,-0.0 0.562 112.0 123.6 70.1 8.8 15.3 19.2 44.5 72 69 A V E < -B 69 0A 66 -3,-2.7 -3,-2.1 2,-0.0 -1,-0.2 -0.899 68.6-117.1 -98.8 127.7 16.7 18.3 41.0 73 70 A P E +B 68 0A 29 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.468 42.2 163.1 -63.9 127.9 20.1 19.8 40.2 74 71 A V E + 0 0 0 -7,-3.0 17,-2.7 1,-0.4 2,-0.3 0.307 60.8 0.3-128.1 -0.3 19.8 22.1 37.2 75 72 A G E -BC 67 90A 0 -8,-1.0 -8,-2.9 15,-0.3 -1,-0.4 -0.940 54.7-161.7 178.8 157.7 23.0 24.2 37.4 76 73 A F E -BC 66 89A 0 13,-2.2 13,-2.7 -2,-0.3 2,-0.3 -0.990 0.9-167.3-152.0 158.6 26.2 24.8 39.2 77 74 A A E -BC 65 88A 0 -12,-2.1 -12,-2.4 -2,-0.3 2,-0.4 -0.985 8.7-150.8-146.6 158.6 29.0 27.4 39.7 78 75 A S E -BC 64 87A 0 9,-2.4 8,-2.4 -2,-0.3 9,-1.4 -0.986 4.5-155.0-141.1 124.2 32.4 27.4 41.2 79 76 A L E -BC 63 85A 1 -16,-2.8 -16,-2.6 -2,-0.4 2,-0.4 -0.871 13.5-158.5 -95.7 126.5 34.6 30.0 42.8 80 77 A K E > - C 0 84A 112 4,-3.1 4,-2.2 -2,-0.5 3,-0.2 -0.900 57.8 -32.0-100.7 135.5 38.3 29.5 42.7 81 78 A G T 4 S- 0 0 37 -2,-0.4 -18,-0.1 1,-0.2 -2,-0.0 -0.075 110.3 -40.7 57.4-153.9 40.5 31.2 45.2 82 79 A P T 4 S+ 0 0 60 0, 0.0 -1,-0.2 0, 0.0 34,-0.2 0.881 135.2 11.1 -71.2 -38.1 39.3 34.7 46.5 83 80 A D T 4 S+ 0 0 45 -3,-0.2 37,-3.2 36,-0.1 2,-0.6 0.217 89.9 109.8-138.0 15.0 38.1 36.2 43.2 84 81 A H E < -Cd 80 120A 84 -4,-2.2 -4,-3.1 35,-0.2 2,-1.2 -0.875 48.9-151.9-103.7 120.7 37.8 33.7 40.2 85 82 A I E +Cd 79 121A 7 35,-3.3 37,-0.6 -2,-0.6 -6,-0.2 -0.762 26.7 173.3 -78.5 100.3 34.5 32.6 38.8 86 83 A D E + 0 0 43 -8,-2.4 2,-0.3 -2,-1.2 -1,-0.2 0.825 55.9 14.1 -82.3 -35.3 35.9 29.3 37.6 87 84 A X E +C 78 0A 3 -9,-1.4 -9,-2.4 -3,-0.2 2,-0.3 -0.999 47.6 170.4-150.4 141.3 32.7 27.6 36.4 88 85 A L E +C 77 0A 35 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.852 17.6 160.6-151.5 110.8 29.1 28.4 35.5 89 86 A Y E -C 76 0A 28 -13,-2.7 -13,-2.2 -2,-0.3 2,-0.4 -0.946 14.3-174.1-142.9 114.1 26.9 25.8 33.8 90 87 A V E -C 75 0A 16 -2,-0.4 -15,-0.3 -15,-0.3 5,-0.1 -0.894 38.7-104.3-103.6 138.2 23.1 25.6 33.7 91 88 A H > - 0 0 42 -17,-2.7 3,-2.0 -2,-0.4 4,-0.2 -0.344 29.5-121.9 -58.6 139.9 21.4 22.6 32.2 92 89 A P G > S+ 0 0 16 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.792 111.3 59.2 -57.8 -30.1 20.1 23.4 28.7 93 90 A D G 3 S+ 0 0 105 1,-0.2 -2,-0.1 -19,-0.0 -19,-0.0 0.585 110.5 42.5 -72.1 -8.6 16.6 22.4 29.7 94 91 A Y G < S+ 0 0 64 -3,-2.0 3,-0.5 -20,-0.2 5,-0.4 0.195 80.5 125.0-127.2 17.3 16.6 25.1 32.5 95 92 A V < + 0 0 65 -3,-0.8 -20,-0.0 1,-0.2 -4,-0.0 -0.305 64.1 37.4 -75.6 160.8 18.2 28.2 30.9 96 93 A G S S+ 0 0 80 1,-0.1 -1,-0.2 -2,-0.0 0, 0.0 0.745 88.3 101.7 69.2 26.3 16.4 31.6 31.0 97 94 A R S S- 0 0 104 -3,-0.5 -2,-0.1 -92,-0.0 -91,-0.1 0.118 100.4-103.0-126.8 17.2 15.0 30.9 34.5 98 95 A D S > S+ 0 0 79 -91,-0.1 4,-1.8 -93,-0.1 5,-0.1 0.669 85.8 126.2 58.3 23.1 17.5 33.1 36.5 99 96 A V H > S+ 0 0 2 -5,-0.4 4,-2.6 2,-0.2 5,-0.2 0.959 74.5 48.1 -66.6 -51.7 19.4 30.0 37.6 100 97 A G H > S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.913 112.6 48.9 -52.0 -49.3 22.7 31.5 36.3 101 98 A T H > S+ 0 0 27 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.906 110.6 49.5 -59.4 -47.4 22.0 34.8 38.0 102 99 A T H X S+ 0 0 17 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.931 113.0 48.3 -56.9 -47.1 21.1 33.2 41.4 103 100 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.925 113.5 45.6 -60.9 -47.7 24.4 31.2 41.2 104 101 A I H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.883 108.4 55.4 -69.1 -40.3 26.6 34.1 40.3 105 102 A D H X S+ 0 0 84 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.902 108.0 51.3 -52.8 -43.8 25.0 36.4 43.0 106 103 A A H X S+ 0 0 23 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.905 109.3 49.8 -62.3 -40.7 25.9 33.6 45.6 107 104 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.871 110.3 49.6 -66.6 -39.4 29.5 33.6 44.3 108 105 A E H X S+ 0 0 25 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.883 111.9 47.9 -66.2 -39.2 29.9 37.4 44.6 109 106 A K H X S+ 0 0 173 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.945 114.3 47.8 -62.6 -48.0 28.5 37.4 48.1 110 107 A L H < S+ 0 0 64 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.844 114.7 45.7 -58.8 -40.7 30.9 34.6 49.0 111 108 A A H ><>S+ 0 0 0 -4,-2.2 3,-1.3 2,-0.2 5,-1.0 0.877 110.9 51.1 -76.7 -40.7 33.8 36.4 47.4 112 109 A G H ><5S+ 0 0 35 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.948 106.3 56.4 -56.6 -47.8 33.0 39.8 49.0 113 110 A A T 3<5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.488 104.9 55.1 -63.5 -2.7 32.9 38.0 52.4 114 111 A R T < 5S- 0 0 130 -3,-1.3 -1,-0.3 -32,-0.2 -2,-0.2 0.072 125.1 -95.9-115.8 19.4 36.4 36.8 51.6 115 112 A G T < 5S+ 0 0 54 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 -0.132 74.0 146.4 97.0 -37.2 38.0 40.2 51.0 116 113 A A < + 0 0 14 -5,-1.0 -1,-0.2 -34,-0.2 3,-0.1 0.101 21.4 173.8 -45.9 139.0 37.8 40.2 47.2 117 114 A L S S+ 0 0 128 1,-0.3 43,-3.6 42,-0.1 2,-0.5 0.627 72.5 44.1-115.3 -28.7 37.2 43.6 45.6 118 115 A I E S- E 0 159A 91 41,-0.2 -1,-0.3 39,-0.0 41,-0.2 -0.932 70.9-159.7-126.8 102.2 37.5 42.6 42.0 119 116 A L E - 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