==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-NOV-02 1N7I . COMPND 2 MOLECULE: PHENYLETHANOLAMINE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.M.MCMILLAN,J.ARCHBOLD,M.J.MCLEISH,J.M.CAINE,K.R.CRISCIONE, . 530 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 389 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 8.9 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 . 1 0.2 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 . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 3 0 0 0 1 2 1 7 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 1 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 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 0 125 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 43.1 34.0 51.6 36.6 2 23 A V T >> + 0 0 24 164,-0.3 3,-3.6 1,-0.3 4,-1.0 0.807 360.0 92.5 -56.8 -30.8 34.4 50.2 33.1 3 24 A A H 3> S+ 0 0 41 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.719 77.5 59.1 -33.2 -39.6 35.6 53.7 32.1 4 25 A S H <4 S+ 0 0 96 -3,-1.4 -1,-0.3 1,-0.2 4,-0.2 0.785 103.0 52.5 -67.3 -28.2 39.2 52.7 32.8 5 26 A A H X4 S+ 0 0 33 -3,-3.6 3,-1.1 -4,-0.2 -1,-0.2 0.816 102.3 57.3 -78.4 -32.6 39.0 49.9 30.2 6 27 A Y H >< S+ 0 0 1 -4,-1.0 3,-2.2 1,-0.2 -1,-0.2 0.736 85.4 81.0 -71.7 -20.1 37.7 52.2 27.4 7 28 A Q T 3< S+ 0 0 133 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.762 94.8 46.8 -58.0 -23.0 40.7 54.4 27.7 8 29 A R T < S+ 0 0 158 -3,-1.1 198,-0.6 -4,-0.2 197,-0.3 0.481 84.7 135.1 -95.0 -3.8 42.6 51.9 25.6 9 30 A F < - 0 0 6 -3,-2.2 195,-0.2 -4,-0.2 75,-0.1 -0.266 42.2-157.5 -53.3 110.8 39.7 51.7 23.1 10 31 A E > - 0 0 86 193,-1.9 4,-2.3 -2,-0.2 3,-0.4 -0.810 5.9-162.6 -96.5 108.0 41.0 51.9 19.5 11 32 A P H > S+ 0 0 14 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.851 89.3 54.6 -55.5 -40.4 38.3 53.1 17.0 12 33 A R H > S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 192,-0.1 0.883 112.8 42.4 -64.3 -38.5 40.2 51.8 13.9 13 34 A A H > S+ 0 0 18 -3,-0.4 4,-1.5 2,-0.2 191,-0.2 0.842 113.4 53.7 -76.3 -33.8 40.4 48.3 15.4 14 35 A Y H >X S+ 0 0 9 -4,-2.3 3,-1.3 189,-0.2 4,-1.1 0.995 109.2 46.4 -61.7 -62.2 36.8 48.5 16.6 15 36 A L H >X S+ 0 0 4 -4,-2.7 4,-3.7 1,-0.3 3,-1.1 0.893 112.0 53.7 -44.6 -47.6 35.4 49.4 13.2 16 37 A R H 3< S+ 0 0 176 -4,-1.6 4,-0.4 1,-0.3 -1,-0.3 0.779 106.6 51.1 -60.2 -31.9 37.5 46.6 11.7 17 38 A N H << S+ 0 0 32 -4,-1.5 -1,-0.3 -3,-1.3 -2,-0.2 0.606 128.2 18.3 -83.4 -13.1 36.1 44.0 14.0 18 39 A N H << S+ 0 0 20 -3,-1.1 -2,-0.2 -4,-1.1 -3,-0.2 0.559 126.7 41.2-133.6 -15.4 32.5 44.8 13.4 19 40 A Y S < S+ 0 0 7 -4,-3.7 -3,-0.2 -5,-0.3 -2,-0.1 0.099 98.5 73.7-127.6 25.1 32.1 46.8 10.2 20 41 A A S >> S- 0 0 28 -4,-0.4 4,-2.1 -5,-0.2 3,-0.7 -0.859 92.6 -27.2-128.3 161.3 34.5 45.1 7.8 21 42 A P T 34 S+ 0 0 90 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.228 125.4 25.2 -50.7 140.9 34.1 41.8 6.0 22 43 A P T >4 S+ 0 0 60 0, 0.0 3,-1.4 0, 0.0 219,-0.1 -0.942 140.8 24.9 -78.7 -28.4 32.5 39.5 7.1 23 44 A R T <4 S+ 0 0 18 -3,-0.7 10,-0.6 1,-0.3 -6,-0.1 0.800 127.2 50.1 -64.7 -28.8 30.2 41.6 9.2 24 45 A G T 3< S+ 0 0 3 -4,-2.1 2,-0.8 -8,-0.1 -1,-0.3 0.076 82.1 101.0 -99.2 21.4 30.7 44.6 7.0 25 46 A D X - 0 0 62 -3,-1.4 3,-0.7 -5,-0.3 8,-0.1 -0.890 49.3-175.9-106.0 97.2 30.0 42.8 3.7 26 47 A L T 3 + 0 0 6 -2,-0.8 -1,-0.1 1,-0.2 5,-0.1 0.369 61.1 93.4 -78.4 7.1 26.5 43.9 3.0 27 48 A C T 3 S+ 0 0 105 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.916 73.8 65.4 -66.4 -46.0 26.3 41.7 -0.1 28 49 A N S X S- 0 0 80 -3,-0.7 3,-0.7 1,-0.1 5,-0.1 -0.734 75.4-151.6 -84.3 119.2 24.8 38.7 1.7 29 50 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.582 89.0 69.1 -62.3 -16.9 21.3 39.7 2.9 30 51 A N T 3 S+ 0 0 111 4,-0.1 2,-0.2 5,-0.0 -2,-0.1 -0.101 83.7 109.2 -96.1 36.4 21.4 37.3 5.8 31 52 A G S <> S- 0 0 7 -3,-0.7 4,-1.8 -5,-0.1 5,-0.1 -0.621 82.5-112.6-108.4 169.6 24.0 39.4 7.5 32 53 A V H > S+ 0 0 5 -2,-0.2 4,-2.9 2,-0.2 5,-0.3 0.898 114.8 55.9 -64.7 -41.5 24.1 41.6 10.6 33 54 A G H > S+ 0 0 2 -10,-0.6 4,-2.8 2,-0.2 5,-0.3 0.973 109.2 42.1 -54.7 -63.5 24.5 44.7 8.4 34 55 A P H > S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.874 116.3 52.5 -52.0 -41.6 21.5 44.2 6.1 35 56 A W H X S+ 0 0 6 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.980 111.3 42.0 -62.0 -59.7 19.4 43.2 9.2 36 57 A K H X S+ 0 0 8 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.936 117.4 48.7 -55.8 -46.6 20.2 46.3 11.4 37 58 A L H X S+ 0 0 3 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 0.922 110.9 50.9 -59.7 -42.7 19.9 48.6 8.4 38 59 A R H X S+ 0 0 38 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.840 108.3 51.3 -64.0 -35.4 16.6 46.9 7.4 39 60 A C H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.935 112.6 46.0 -65.9 -48.0 15.1 47.3 11.0 40 61 A L H X S+ 0 0 4 -4,-2.2 4,-2.2 -5,-0.2 5,-0.3 0.949 114.9 47.8 -58.5 -51.0 16.0 51.0 11.0 41 62 A A H X S+ 0 0 8 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.965 111.6 48.0 -54.6 -61.8 14.6 51.5 7.6 42 63 A Q H X S+ 0 0 78 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.852 111.6 52.6 -50.2 -40.5 11.3 49.7 8.2 43 64 A T H >< S+ 0 0 6 -4,-2.2 3,-1.7 -5,-0.2 4,-0.4 0.989 113.0 39.2 -63.6 -60.6 10.8 51.6 11.4 44 65 A F H >< S+ 0 0 3 -4,-2.2 3,-1.9 1,-0.3 5,-0.3 0.830 107.7 67.2 -58.8 -30.5 11.2 55.1 10.1 45 66 A A H 3< S+ 0 0 80 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.754 87.2 66.9 -61.6 -25.6 9.3 54.1 7.0 46 67 A T T << S- 0 0 60 -3,-1.7 -1,-0.3 -4,-0.8 -2,-0.2 0.736 101.9-138.8 -67.6 -20.3 6.2 53.7 9.1 47 68 A G S < S+ 0 0 47 -3,-1.9 -2,-0.1 -4,-0.4 -3,-0.1 0.984 73.7 108.4 59.2 60.4 6.4 57.4 9.5 48 69 A E + 0 0 103 -5,-0.3 2,-0.8 1,-0.1 -4,-0.1 0.288 62.1 74.1-137.6 -12.0 5.5 57.5 13.2 49 70 A V S S+ 0 0 2 -5,-0.3 2,-0.3 -6,-0.2 -1,-0.1 -0.906 72.4 135.8-107.8 98.3 9.0 58.4 14.4 50 71 A S + 0 0 68 -2,-0.8 2,-0.3 105,-0.2 23,-0.1 -0.999 11.6 102.9-150.8 148.1 9.1 62.1 13.4 51 72 A G - 0 0 34 21,-1.4 23,-0.4 -2,-0.3 3,-0.1 -0.957 62.7 -84.8 175.1-156.7 10.3 65.4 14.7 52 73 A R S S+ 0 0 118 -2,-0.3 23,-2.6 1,-0.3 2,-0.3 0.798 99.2 44.5-107.9 -54.8 12.9 68.2 14.8 53 74 A T E +a 75 0A 7 100,-0.2 102,-1.7 21,-0.2 103,-0.4 -0.751 59.4 175.7 -99.7 143.3 15.6 67.1 17.2 54 75 A L E -a 76 0A 0 21,-2.0 23,-2.0 -2,-0.3 2,-0.4 -0.993 11.6-157.3-143.2 140.9 17.1 63.6 17.5 55 76 A I E -ab 77 157A 7 101,-2.3 103,-1.8 -2,-0.3 2,-0.7 -0.982 5.0-154.9-126.8 134.7 20.0 62.4 19.7 56 77 A D E > -ab 78 158A 0 21,-3.0 23,-0.7 -2,-0.4 3,-0.6 -0.914 16.0-151.5-109.8 108.9 22.3 59.4 19.2 57 78 A I E 3 S+ b 0 159A 0 101,-1.8 103,-0.6 -2,-0.7 105,-0.1 -0.652 74.7 4.9 -83.5 131.1 23.7 58.1 22.5 58 79 A G T 3 S+ 0 0 0 -2,-0.4 102,-0.3 101,-0.1 22,-0.2 0.938 72.2 173.2 64.6 50.5 27.1 56.3 22.4 59 80 A S X - 0 0 0 20,-2.7 3,-1.0 -3,-0.6 21,-0.2 0.874 11.7-176.9 -55.7 -43.5 27.7 57.0 18.7 60 81 A G T 3 - 0 0 0 19,-0.7 2,-0.1 1,-0.2 -1,-0.1 -0.292 61.5 -43.2 68.1-163.1 31.2 55.6 18.8 61 82 A P T 3 S+ 0 0 4 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.028 113.6 99.1 -90.7 37.7 33.1 56.0 15.5 62 83 A T < - 0 0 0 -3,-1.0 27,-0.0 -2,-0.1 40,-0.0 -0.890 42.4-179.4-125.8 156.2 30.1 54.8 13.4 63 84 A V >> + 0 0 1 -2,-0.3 3,-3.4 2,-0.1 4,-0.5 0.617 59.7 98.1-121.1 -24.2 27.3 56.5 11.3 64 85 A Y T 34 S+ 0 0 2 1,-0.3 3,-0.4 2,-0.2 4,-0.4 0.672 75.2 70.0 -41.0 -27.9 25.1 53.6 10.0 65 86 A Q T 34 S+ 0 0 2 1,-0.2 -1,-0.3 -6,-0.1 4,-0.1 0.595 105.5 38.4 -71.3 -10.6 22.6 54.1 12.8 66 87 A L T <> S+ 0 0 0 -3,-3.4 4,-3.5 3,-0.1 5,-0.2 0.498 81.3 100.1-120.5 -2.1 21.5 57.4 11.3 67 88 A L T < S+ 0 0 2 -4,-0.5 4,-0.3 -3,-0.4 -2,-0.1 0.847 101.3 26.9 -51.1 -42.7 21.4 56.8 7.5 68 89 A S T >4 S+ 0 0 6 -4,-0.4 3,-0.5 2,-0.1 4,-0.4 0.761 119.3 60.5 -91.4 -28.8 17.7 56.2 7.5 69 90 A A G >4 S+ 0 0 0 1,-0.2 3,-2.7 2,-0.2 4,-0.5 0.946 90.0 67.1 -63.3 -48.6 17.1 58.4 10.6 70 91 A C G >< S+ 0 0 0 -4,-3.5 3,-1.0 1,-0.3 -1,-0.2 0.772 88.6 69.3 -44.8 -34.0 18.5 61.6 9.1 71 92 A S G < S+ 0 0 49 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.826 104.5 40.1 -55.8 -33.6 15.6 61.7 6.6 72 93 A H G < S+ 0 0 61 -3,-2.7 -21,-1.4 -4,-0.4 2,-0.4 0.431 111.1 53.9-101.9 2.0 13.1 62.5 9.4 73 94 A F < - 0 0 0 -3,-1.0 -21,-0.2 -4,-0.5 -1,-0.1 -0.953 51.8-166.1-142.1 121.0 15.0 65.0 11.7 74 95 A E S S+ 0 0 99 -23,-0.4 2,-0.6 -2,-0.4 -21,-0.2 0.744 82.7 56.0 -73.1 -27.2 16.7 68.2 10.7 75 96 A D E S+a 53 0A 14 -23,-2.6 -21,-2.0 55,-0.1 2,-0.4 -0.913 70.3 177.7-113.7 108.5 18.6 68.6 14.0 76 97 A I E -ac 54 130A 0 53,-2.7 55,-2.7 -2,-0.6 56,-0.9 -0.918 14.4-161.8-117.9 137.6 20.9 65.7 14.9 77 98 A T E -ac 55 132A 1 -23,-2.0 -21,-3.0 -2,-0.4 2,-0.3 -0.952 4.6-162.5-119.4 115.6 23.3 65.3 17.8 78 99 A M E +ac 56 133A 0 54,-2.4 56,-2.4 -2,-0.5 2,-0.3 -0.663 19.1 179.2 -90.2 149.7 26.0 62.6 17.8 79 100 A T E + c 0 134A 7 -23,-0.7 -20,-2.7 -2,-0.3 -19,-0.7 -0.949 14.2 153.4-148.2 168.0 27.6 61.7 21.1 80 101 A D E - c 0 135A 0 54,-1.3 56,-0.9 -2,-0.3 6,-0.1 -0.799 41.0-121.5 170.3 151.0 30.2 59.4 22.9 81 102 A F S S+ 0 0 60 54,-0.2 2,-0.2 -2,-0.2 -1,-0.1 0.981 90.8 67.7 -66.4 -62.4 32.4 59.1 25.9 82 103 A L >> - 0 0 9 1,-0.1 4,-1.9 53,-0.1 3,-0.6 -0.427 66.2-151.9 -69.4 129.9 35.8 58.8 24.2 83 104 A E H 3> S+ 0 0 117 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.845 95.4 68.4 -68.0 -33.0 37.2 61.8 22.4 84 105 A V H 3> S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.877 105.6 41.9 -53.9 -37.0 39.1 59.5 20.1 85 106 A N H <> S+ 0 0 0 -3,-0.6 4,-3.2 2,-0.2 5,-0.3 0.963 110.9 53.4 -72.7 -53.1 35.7 58.4 18.7 86 107 A R H X S+ 0 0 38 -4,-1.9 4,-2.0 1,-0.3 -2,-0.2 0.872 112.5 48.1 -46.8 -40.3 34.3 62.0 18.6 87 108 A Q H X S+ 0 0 93 -4,-3.4 4,-2.1 2,-0.2 -1,-0.3 0.927 109.2 51.4 -67.0 -45.8 37.4 62.7 16.6 88 109 A E H X S+ 0 0 27 -4,-1.9 4,-0.9 -5,-0.3 12,-0.3 0.868 108.2 52.8 -60.9 -37.2 36.9 59.7 14.3 89 110 A L H >X S+ 0 0 2 -4,-3.2 4,-2.6 1,-0.2 3,-1.2 0.951 106.8 53.8 -62.3 -48.1 33.3 60.9 13.7 90 111 A G H 3X S+ 0 0 12 -4,-2.0 4,-3.5 1,-0.3 6,-0.4 0.918 98.5 60.4 -51.3 -53.1 34.6 64.3 12.7 91 112 A R H 3<>S+ 0 0 75 -4,-2.1 5,-1.7 1,-0.3 8,-0.3 0.797 113.3 40.5 -47.1 -32.2 37.0 62.9 10.1 92 113 A W H X<5S+ 0 0 11 -3,-1.2 3,-1.1 -4,-0.9 -1,-0.3 0.872 114.6 49.7 -85.4 -41.0 33.9 61.5 8.4 93 114 A L H 3<5S+ 0 0 14 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.949 118.9 39.4 -60.3 -47.8 31.6 64.5 9.0 94 115 A Q T 3<5S- 0 0 125 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.185 107.8-121.8 -89.0 16.3 34.3 66.9 7.6 95 116 A E T < 5 + 0 0 147 -3,-1.1 -3,-0.2 -5,-0.2 -4,-0.1 0.817 57.6 165.0 46.0 36.1 35.4 64.6 4.8 96 117 A E > < - 0 0 93 -5,-1.7 3,-1.2 -6,-0.4 -1,-0.1 -0.068 42.3 -55.8 -75.0 175.5 38.9 64.7 6.4 97 118 A P T 3 S- 0 0 115 0, 0.0 -1,-0.2 0, 0.0 -6,-0.0 -0.252 115.6 -1.8 -58.5 137.4 41.9 62.5 5.7 98 119 A G T 3 S+ 0 0 75 1,-0.1 -6,-0.1 -3,-0.1 3,-0.1 0.733 83.8 168.5 54.9 31.0 41.6 58.7 6.2 99 120 A A < - 0 0 34 -3,-1.2 2,-0.4 -8,-0.3 -1,-0.1 -0.199 45.7 -88.9 -65.3 166.0 38.0 58.9 7.3 100 121 A F - 0 0 49 -12,-0.3 2,-0.8 -39,-0.1 -1,-0.1 -0.638 40.2-119.6 -81.0 134.6 36.2 55.5 7.5 101 122 A N + 0 0 110 -2,-0.4 3,-0.2 1,-0.1 4,-0.2 -0.616 35.8 170.0 -79.6 110.2 34.4 54.4 4.3 102 123 A W >> + 0 0 2 -2,-0.8 4,-2.9 1,-0.2 3,-0.5 0.298 42.9 112.1-100.1 8.5 30.7 54.0 4.9 103 124 A S H 3> S+ 0 0 20 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.925 73.6 53.4 -42.9 -67.2 29.7 53.6 1.2 104 125 A M H 3> S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.832 115.6 43.4 -39.3 -43.3 28.7 50.0 1.4 105 126 A Y H <> S+ 0 0 5 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.935 113.1 48.9 -71.8 -48.3 26.4 51.0 4.3 106 127 A S H X S+ 0 0 1 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.919 114.0 47.9 -56.7 -46.9 25.0 54.2 2.7 107 128 A Q H X S+ 0 0 79 -4,-3.1 4,-3.1 1,-0.2 -1,-0.2 0.933 111.3 48.1 -61.2 -49.7 24.3 52.3 -0.6 108 129 A H H X S+ 0 0 30 -4,-1.9 4,-2.6 -5,-0.4 -1,-0.2 0.825 110.1 55.2 -63.1 -28.9 22.5 49.4 1.1 109 130 A A H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.912 111.2 43.0 -68.6 -41.9 20.5 52.0 3.1 110 131 A C H X>S+ 0 0 12 -4,-2.1 4,-1.1 2,-0.2 5,-0.5 0.886 111.9 55.2 -70.4 -39.2 19.4 53.6 -0.1 111 132 A L H ><5S+ 0 0 126 -4,-3.1 3,-0.6 1,-0.2 -2,-0.2 0.970 114.8 38.7 -54.9 -57.2 18.8 50.2 -1.7 112 133 A I H 3<5S+ 0 0 51 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.873 110.4 56.6 -63.7 -43.9 16.5 49.2 1.2 113 134 A E H 3<5S- 0 0 53 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.743 90.1-159.1 -62.4 -18.5 14.8 52.5 1.6 114 135 A G T <<5 + 0 0 58 -4,-1.1 -3,-0.1 -3,-0.6 -1,-0.1 0.746 50.0 128.6 45.6 32.3 13.9 52.1 -2.0 115 136 A K S - 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