==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-DEC-00 1HNN . COMPND 2 MOLECULE: PHENYLETHANOLAMINE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.L.MARTIN,J.BEGUN,M.J.MCLEISH,J.M.CAINE,G.L.GRUNEWALD . 530 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20277.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 10.6 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 . 2 0.4 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 . 2 0.4 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 . 38 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 0 0 0 2 3 7 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 4 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 PARALLEL BRIDGES PER LADDER . 3 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 22 A A >> 0 0 115 0, 0.0 4,-0.8 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 34.4 34.6 51.2 35.9 2 23 A V H >> + 0 0 21 164,-0.3 4,-2.4 1,-0.2 3,-1.6 0.939 360.0 68.3 -63.1 -44.3 34.0 50.1 32.3 3 24 A A H 3> S+ 0 0 29 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.790 91.1 60.8 -42.5 -38.1 35.1 53.5 31.3 4 25 A S H X4 S+ 0 0 80 -3,-0.6 3,-0.9 1,-0.2 4,-0.4 0.930 109.0 41.4 -58.8 -45.2 38.6 52.5 32.4 5 26 A A H X< S+ 0 0 32 -3,-1.6 3,-1.9 -4,-0.8 -2,-0.2 0.906 108.8 60.4 -68.2 -41.0 38.6 49.7 29.8 6 27 A Y H >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.558 88.1 75.6 -63.6 -7.3 37.0 52.1 27.3 7 28 A Q T << S+ 0 0 123 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.850 96.6 46.1 -72.1 -32.6 40.1 54.2 27.7 8 29 A R T < S+ 0 0 136 -3,-1.9 198,-0.6 -4,-0.4 197,-0.5 0.356 84.1 136.5 -90.3 5.2 41.9 51.7 25.6 9 30 A F B < -A 204 0A 7 -3,-0.6 195,-0.2 196,-0.2 75,-0.1 -0.349 41.6-156.2 -58.6 120.1 39.1 51.6 23.0 10 31 A E > - 0 0 79 193,-2.3 4,-2.4 -2,-0.2 3,-0.3 -0.874 4.4-162.3-104.4 106.4 40.5 51.7 19.4 11 32 A P H > S+ 0 0 18 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.896 90.2 50.6 -51.7 -49.7 37.9 53.0 16.9 12 33 A R H > S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.875 113.1 47.5 -60.6 -36.3 39.6 51.7 13.8 13 34 A A H > S+ 0 0 16 -3,-0.3 4,-2.2 2,-0.2 191,-0.2 0.876 111.1 50.4 -72.5 -38.2 39.8 48.2 15.4 14 35 A Y H X S+ 0 0 8 -4,-2.4 4,-2.1 189,-0.2 5,-0.3 0.984 113.0 46.1 -61.8 -55.1 36.2 48.3 16.5 15 36 A L H X S+ 0 0 3 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.878 112.5 50.9 -53.1 -44.1 35.1 49.3 12.9 16 37 A R H X S+ 0 0 180 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.889 111.9 47.6 -63.4 -39.9 37.3 46.6 11.4 17 38 A N H < S+ 0 0 30 -4,-2.2 -2,-0.2 -3,-0.2 -1,-0.2 0.819 128.0 21.6 -72.9 -30.6 35.9 43.9 13.7 18 39 A N H < S+ 0 0 21 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.568 127.6 35.8-118.5 -8.4 32.3 44.8 13.2 19 40 A Y H < S+ 0 0 8 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.273 99.4 74.4-131.9 13.9 31.8 46.7 9.9 20 41 A A S >X S- 0 0 26 -4,-0.6 4,-1.5 -5,-0.3 3,-0.7 -0.843 92.7 -29.1-120.0 156.9 34.3 45.2 7.5 21 42 A P T 34 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.092 122.3 27.3 -44.0 145.0 33.9 41.7 5.9 22 43 A P T >4 S+ 0 0 63 0, 0.0 3,-1.1 0, 0.0 219,-0.1 -0.966 141.3 23.4 -78.0 -27.1 32.5 39.2 6.8 23 44 A R T <4 S+ 0 0 17 -3,-0.7 10,-0.5 1,-0.3 -5,-0.1 0.754 127.5 51.2 -70.8 -25.4 30.0 41.2 9.0 24 45 A G T 3< S+ 0 0 1 -4,-1.5 2,-1.1 -8,-0.2 -1,-0.3 0.285 81.5 106.9 -93.6 8.6 30.5 44.3 6.9 25 46 A D X + 0 0 67 -3,-1.1 3,-0.6 -5,-0.3 8,-0.2 -0.766 44.5 179.4 -89.3 98.0 29.8 42.4 3.7 26 47 A L T 3 + 0 0 8 -2,-1.1 -1,-0.2 1,-0.2 5,-0.1 0.548 59.2 90.3 -77.1 -8.2 26.4 43.6 2.7 27 48 A C T 3 S+ 0 0 114 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.899 73.5 73.0 -55.5 -43.7 26.2 41.5 -0.5 28 49 A N S X S- 0 0 71 -3,-0.6 3,-1.4 1,-0.1 5,-0.1 -0.604 73.3-150.1 -76.7 123.9 24.6 38.5 1.2 29 50 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.692 91.9 61.9 -67.6 -16.1 20.9 39.2 2.2 30 51 A N T 3 S+ 0 0 115 4,-0.1 2,-0.1 5,-0.0 -4,-0.0 0.394 83.7 103.2 -90.2 2.8 21.1 36.9 5.2 31 52 A G S <> S- 0 0 7 -3,-1.4 4,-1.9 -6,-0.1 5,-0.1 -0.323 82.8-109.7 -83.4 169.0 23.8 38.8 7.1 32 53 A V H > S+ 0 0 5 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.846 112.6 61.0 -62.2 -40.9 23.4 41.2 10.0 33 54 A G H > S+ 0 0 2 -10,-0.5 4,-2.4 2,-0.2 5,-0.3 0.967 108.1 41.5 -53.1 -59.7 24.1 44.3 8.0 34 55 A P H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.936 116.2 52.3 -53.4 -47.4 21.2 43.8 5.7 35 56 A W H X S+ 0 0 5 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.947 109.9 46.6 -53.1 -58.3 19.1 42.8 8.7 36 57 A K H X S+ 0 0 11 -4,-3.6 4,-2.4 1,-0.2 -1,-0.2 0.931 115.3 44.9 -51.0 -55.2 19.9 45.9 10.8 37 58 A L H X S+ 0 0 1 -4,-2.4 4,-3.2 1,-0.2 -1,-0.2 0.851 111.4 55.7 -60.1 -33.7 19.3 48.4 7.9 38 59 A R H X S+ 0 0 45 -4,-2.4 4,-2.6 -5,-0.3 5,-0.3 0.905 108.0 46.8 -66.5 -41.8 16.2 46.5 7.1 39 60 A C H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.914 115.8 45.9 -65.3 -43.4 14.8 46.9 10.6 40 61 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 -5,-0.2 5,-0.2 0.958 115.3 46.3 -64.1 -49.7 15.7 50.6 10.6 41 62 A A H X S+ 0 0 7 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.924 111.5 48.9 -59.2 -52.1 14.3 51.2 7.1 42 63 A Q H X S+ 0 0 79 -4,-2.6 4,-1.1 -5,-0.2 -1,-0.2 0.918 110.6 53.4 -56.7 -43.8 11.0 49.4 7.6 43 64 A T H >< S+ 0 0 5 -4,-1.8 3,-1.2 -5,-0.3 5,-0.5 0.972 112.5 40.0 -57.1 -60.4 10.4 51.3 10.9 44 65 A F H >< S+ 0 0 2 -4,-2.1 3,-1.7 1,-0.3 5,-0.2 0.823 108.0 64.9 -59.7 -31.9 10.9 54.8 9.5 45 66 A A H 3< S+ 0 0 79 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.781 85.4 70.5 -62.4 -28.8 8.9 53.9 6.4 46 67 A T T << S- 0 0 65 -3,-1.2 -1,-0.3 -4,-1.1 -2,-0.2 0.722 101.7-138.3 -60.6 -18.7 5.8 53.4 8.4 47 68 A G S < S+ 0 0 41 -3,-1.7 -2,-0.1 -4,-0.3 -3,-0.1 0.523 75.5 108.8 73.0 6.9 6.0 57.1 8.7 48 69 A E + 0 0 96 -5,-0.5 2,-1.1 1,-0.2 -4,-0.1 0.686 61.5 72.4 -87.0 -19.0 5.0 57.0 12.4 49 70 A V S S+ 0 0 2 -6,-0.3 2,-0.3 -5,-0.2 -1,-0.2 -0.713 72.2 131.1 -99.6 86.2 8.5 58.0 13.7 50 71 A S + 0 0 68 -2,-1.1 2,-0.3 105,-0.1 23,-0.1 -0.935 11.1 114.8-137.8 159.5 8.8 61.7 12.8 51 72 A G - 0 0 33 21,-1.2 23,-0.4 -2,-0.3 3,-0.1 -0.951 61.8 -89.8 174.0-158.8 9.8 65.0 14.3 52 73 A R S S+ 0 0 115 -2,-0.3 23,-3.0 1,-0.2 2,-0.4 0.734 99.4 44.3-111.0 -38.8 12.4 67.8 14.0 53 74 A T E +b 75 0B 10 21,-0.2 102,-1.4 100,-0.1 103,-0.7 -0.882 58.6 174.4-116.1 142.6 15.1 66.7 16.4 54 75 A L E -bc 76 156B 0 21,-2.1 23,-2.7 -2,-0.4 2,-0.4 -0.995 14.2-151.7-144.3 147.1 16.7 63.3 17.0 55 76 A I E -bc 77 157B 5 101,-1.8 103,-2.3 -2,-0.3 2,-0.6 -0.980 4.2-153.9-127.8 131.1 19.6 62.1 19.1 56 77 A D E -bc 78 158B 0 21,-3.1 23,-1.0 -2,-0.4 2,-0.5 -0.902 20.2-148.1-100.7 122.4 21.9 59.1 18.5 57 78 A I E S- c 0 159B 0 101,-2.6 103,-0.6 -2,-0.6 23,-0.1 -0.821 74.2 -3.7 -98.4 123.4 23.3 57.8 21.8 58 79 A G S S+ 0 0 0 -2,-0.5 102,-0.3 101,-0.1 -1,-0.3 0.985 73.3 176.8 61.7 56.0 26.8 56.3 22.0 59 80 A S > - 0 0 0 20,-3.9 3,-1.3 -3,-0.5 21,-0.2 0.841 14.8-170.5 -60.3 -33.5 27.2 56.7 18.2 60 81 A G T 3 - 0 0 0 19,-0.7 -1,-0.2 1,-0.2 29,-0.1 -0.459 59.2 -43.6 68.9-149.8 30.7 55.4 18.6 61 82 A P T 3 S+ 0 0 2 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.277 115.2 99.5 -97.4 15.9 32.6 55.8 15.3 62 83 A T < + 0 0 0 -3,-1.3 27,-0.1 1,-0.1 40,-0.0 -0.690 41.5 178.7-106.9 156.1 29.6 54.6 13.2 63 84 A V >> + 0 0 0 -2,-0.2 3,-2.0 2,-0.1 4,-0.5 0.442 58.7 97.5-128.9 -6.4 26.9 56.3 11.1 64 85 A Y G >4 S+ 0 0 1 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.793 75.9 67.4 -56.6 -31.7 24.8 53.4 9.6 65 86 A Q G 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.579 103.9 44.0 -68.4 -9.2 22.2 53.7 12.3 66 87 A L G <> S+ 0 0 0 -3,-2.0 4,-2.9 2,-0.1 -1,-0.2 0.490 83.9 99.8-110.6 -8.0 21.2 57.2 11.0 67 88 A L T << S+ 0 0 0 -3,-0.9 4,-0.3 -4,-0.5 -2,-0.1 0.870 96.5 27.1 -46.4 -54.3 21.1 56.3 7.3 68 89 A S T 4 S+ 0 0 5 -4,-0.4 3,-0.5 1,-0.1 -1,-0.3 0.708 118.4 64.2 -83.6 -20.3 17.4 55.8 7.0 69 90 A A T >> S+ 0 0 0 1,-0.2 3,-3.1 2,-0.2 4,-0.6 0.926 85.4 67.2 -69.2 -47.2 16.7 58.2 9.9 70 91 A C G >< S+ 0 0 0 -4,-2.9 3,-0.6 1,-0.3 -1,-0.2 0.755 88.3 70.8 -47.7 -27.0 18.1 61.4 8.4 71 92 A S G 34 S+ 0 0 51 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.784 106.9 35.9 -62.0 -26.3 15.2 61.3 5.9 72 93 A H G <4 S+ 0 0 52 -3,-3.1 -21,-1.2 -4,-0.2 2,-0.4 0.430 110.9 56.7-110.3 0.6 12.8 62.2 8.8 73 94 A F << - 0 0 0 -3,-0.6 -21,-0.2 -4,-0.6 -1,-0.2 -0.948 50.3-166.8-139.8 120.3 14.6 64.6 11.1 74 95 A E S S+ 0 0 105 -23,-0.4 2,-0.6 -2,-0.4 -21,-0.2 0.752 83.4 52.2 -73.5 -26.7 16.2 68.0 10.2 75 96 A D E S+b 53 0B 12 -23,-3.0 -21,-2.1 55,-0.1 2,-0.5 -0.930 70.8 178.2-116.0 109.3 18.2 68.4 13.4 76 97 A I E -bd 54 130B 0 53,-2.9 55,-2.4 -2,-0.6 56,-0.8 -0.944 10.5-166.7-118.0 130.1 20.4 65.4 14.3 77 98 A T E -bd 55 132B 0 -23,-2.7 -21,-3.1 -2,-0.5 2,-0.3 -0.951 5.9-161.8-116.1 123.6 22.7 65.1 17.3 78 99 A M E -bd 56 133B 0 54,-2.2 56,-2.6 -2,-0.5 2,-0.3 -0.784 14.2-168.2-104.0 149.5 25.3 62.4 17.5 79 100 A T E + d 0 134B 6 -23,-1.0 -20,-3.9 -2,-0.3 -19,-0.7 -0.912 17.7 161.6-142.2 160.9 26.9 61.4 20.7 80 101 A D - 0 0 0 54,-1.8 56,-0.2 -2,-0.3 6,-0.1 -0.784 35.2-135.3-177.5 138.6 29.7 59.5 22.5 81 102 A F S S+ 0 0 50 54,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.883 89.0 70.3 -59.1 -45.3 31.6 59.1 25.7 82 103 A L > - 0 0 12 1,-0.1 4,-1.9 53,-0.1 5,-0.1 -0.613 67.1-151.3 -84.0 133.8 35.0 58.8 24.1 83 104 A E H > S+ 0 0 118 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.908 96.4 64.9 -66.0 -40.4 36.6 61.8 22.4 84 105 A V H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 105.9 43.4 -48.4 -47.0 38.5 59.4 20.0 85 106 A N H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.963 108.9 54.8 -66.3 -51.4 35.2 58.3 18.6 86 107 A R H X S+ 0 0 46 -4,-1.9 4,-2.0 1,-0.3 -1,-0.2 0.847 112.5 47.3 -49.7 -34.1 33.7 61.8 18.3 87 108 A Q H X S+ 0 0 92 -4,-2.5 4,-1.7 2,-0.2 -1,-0.3 0.876 107.3 54.3 -75.2 -38.6 36.8 62.6 16.3 88 109 A E H X S+ 0 0 24 -4,-2.0 4,-0.9 -5,-0.3 12,-0.4 0.859 110.0 48.3 -63.7 -35.0 36.5 59.5 14.2 89 110 A L H >X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 3,-1.4 0.960 104.8 59.6 -67.2 -50.4 33.0 60.6 13.3 90 111 A G H 3X S+ 0 0 11 -4,-2.0 4,-3.1 1,-0.3 6,-0.3 0.841 97.6 59.8 -44.4 -43.7 34.2 64.1 12.5 91 112 A R H 3<>S+ 0 0 66 -4,-1.7 5,-3.0 1,-0.2 -1,-0.3 0.874 111.7 39.9 -54.7 -40.6 36.5 62.6 9.8 92 113 A W H <<5S+ 0 0 9 -3,-1.4 3,-0.5 -4,-0.9 -2,-0.2 0.885 114.9 51.1 -77.1 -41.6 33.5 61.2 8.0 93 114 A L H <5S+ 0 0 16 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.911 121.3 33.3 -62.5 -43.4 31.2 64.2 8.6 94 115 A Q T <5S- 0 0 132 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.333 110.7-119.7 -94.7 5.7 33.9 66.7 7.3 95 116 A E T 5 + 0 0 141 -3,-0.5 -3,-0.2 -5,-0.2 -4,-0.1 0.881 51.9 172.6 56.6 43.0 35.2 64.2 4.7 96 117 A E > < - 0 0 92 -5,-3.0 3,-1.3 -6,-0.3 -1,-0.1 -0.226 40.8 -76.5 -75.3 168.0 38.7 64.3 6.3 97 118 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -6,-0.0 -0.419 115.5 18.7 -68.1 139.6 41.6 62.0 5.3 98 119 A G T 3 S+ 0 0 71 1,-0.2 -6,-0.1 -2,-0.1 3,-0.1 0.481 85.0 155.1 81.7 1.9 41.4 58.5 6.6 99 120 A A < - 0 0 34 -3,-1.3 2,-0.2 -8,-0.3 -1,-0.2 -0.088 52.0 -93.1 -55.6 163.2 37.7 58.6 7.3 100 121 A F - 0 0 46 -12,-0.4 2,-0.8 -39,-0.1 -1,-0.1 -0.555 34.5-120.9 -81.0 148.0 35.8 55.3 7.3 101 122 A N + 0 0 111 -2,-0.2 3,-0.3 1,-0.1 4,-0.1 -0.787 34.4 169.8 -93.6 107.1 34.2 54.2 4.1 102 123 A W > + 0 0 1 -2,-0.8 4,-2.8 1,-0.2 3,-0.4 0.225 40.7 116.3 -98.9 14.6 30.4 53.7 4.6 103 124 A S H > S+ 0 0 17 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.901 72.4 53.4 -47.7 -54.5 29.6 53.2 0.9 104 125 A M H > S+ 0 0 75 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.900 114.6 43.5 -50.6 -43.2 28.4 49.6 1.2 105 126 A Y H > S+ 0 0 4 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.901 113.3 48.6 -71.8 -43.1 26.0 50.7 4.0 106 127 A S H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.964 113.3 50.3 -59.7 -50.5 24.8 53.9 2.3 107 128 A Q H X S+ 0 0 75 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.927 111.3 45.2 -52.2 -54.9 24.2 52.0 -0.9 108 129 A H H X S+ 0 0 34 -4,-2.2 4,-2.9 -5,-0.3 5,-0.3 0.844 108.6 56.8 -62.3 -33.7 22.2 49.2 0.7 109 130 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.917 108.9 48.7 -63.1 -39.6 20.1 51.7 2.7 110 131 A C H X S+ 0 0 12 -4,-2.1 4,-2.2 2,-0.2 5,-0.4 0.910 110.3 50.6 -64.7 -43.5 19.2 53.2 -0.7 111 132 A L H < S+ 0 0 130 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.970 113.8 43.5 -58.3 -56.3 18.3 49.7 -2.1 112 133 A I H < S+ 0 0 54 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.878 112.6 53.3 -58.6 -40.8 16.0 48.9 0.8 113 134 A E H < S- 0 0 61 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.917 89.0-154.8 -64.8 -41.9 14.4 52.3 0.8 114 135 A G < + 0 0 62 -4,-2.2 -3,-0.1 -5,-0.1 -4,-0.1 0.753 53.7 123.2 76.2 25.8 13.5 52.2 -2.9 115 136 A K S S- 0 0 79 -5,-0.4 3,-0.1 2,-0.1 -4,-0.1 0.190 82.0-115.9-100.6 15.9 13.4 56.0 -3.7 116 137 A G + 0 0 79 -6,-0.3 2,-0.2 1,-0.2 -5,-0.1 0.721 63.8 156.0 58.2 20.3 15.9 55.5 -6.4 117 138 A E - 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