==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-MAY-09 3HCE . COMPND 2 MOLECULE: PHENYLETHANOLAMINE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.DRINKWATER,J.L.MARTIN . 527 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.5 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 2 0 0 0 1 1 3 6 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 1 3 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 . 4 1 0 1 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 24 A A > 0 0 101 0, 0.0 3,-1.7 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -39.1 34.9 51.6 32.4 2 25 A S G > + 0 0 104 1,-0.3 3,-1.4 2,-0.2 4,-0.1 0.664 360.0 75.4 -65.7 -14.4 38.6 52.5 32.5 3 26 A A G > S+ 0 0 33 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.819 82.2 66.3 -62.2 -32.2 38.8 49.7 30.0 4 27 A Y G < S+ 0 0 12 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.490 82.8 76.6 -69.4 -1.1 37.3 52.2 27.5 5 28 A Q G < S+ 0 0 145 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.497 97.8 43.4 -88.2 -2.7 40.5 54.2 27.9 6 29 A R S < S+ 0 0 161 -3,-1.7 198,-0.9 -4,-0.1 197,-0.6 0.417 84.1 131.9-117.4 -2.3 42.3 51.6 25.6 7 30 A F B -A 202 0A 11 -4,-0.3 195,-0.1 196,-0.2 75,-0.1 -0.199 43.9-153.3 -49.5 130.3 39.4 51.4 23.0 8 31 A E > - 0 0 75 193,-2.1 4,-2.3 1,-0.2 5,-0.2 -0.893 6.6-161.3-117.0 106.8 40.6 51.7 19.4 9 32 A P H > S+ 0 0 16 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.854 92.3 52.4 -56.8 -37.7 38.0 53.0 17.0 10 33 A R H > S+ 0 0 125 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.958 111.3 45.9 -62.5 -48.0 39.8 51.7 13.9 11 34 A A H > S+ 0 0 16 190,-0.2 4,-1.0 1,-0.2 191,-0.3 0.814 112.9 51.5 -66.4 -30.2 40.1 48.2 15.4 12 35 A Y H >X S+ 0 0 9 -4,-2.3 4,-1.1 189,-0.3 3,-0.6 0.971 111.0 46.0 -69.0 -52.6 36.4 48.3 16.4 13 36 A L H >X S+ 0 0 1 -4,-2.8 4,-3.9 1,-0.2 3,-1.4 0.963 112.9 50.7 -50.9 -57.5 35.2 49.3 13.0 14 37 A R H 3< S+ 0 0 176 -4,-2.6 4,-0.4 1,-0.3 -1,-0.2 0.767 112.0 49.2 -48.6 -31.2 37.4 46.7 11.3 15 38 A N H << S+ 0 0 26 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.655 128.3 18.3 -87.9 -17.5 36.0 44.0 13.7 16 39 A N H << S+ 0 0 19 -3,-1.4 -2,-0.2 -4,-1.1 -3,-0.2 0.542 129.8 38.2-134.6 -15.7 32.4 44.8 13.2 17 40 A Y S < S+ 0 0 3 -4,-3.9 -3,-0.2 -5,-0.3 -2,-0.1 0.002 101.2 68.0-134.2 29.7 32.0 46.8 10.0 18 41 A A S > S- 0 0 26 -4,-0.4 4,-2.1 -5,-0.2 3,-0.5 -0.854 94.6 -18.3-136.9 170.4 34.5 45.3 7.5 19 42 A P T 4 S+ 0 0 103 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.297 123.3 19.4 -59.7 150.0 34.3 41.9 6.0 20 43 A P T >4 S+ 0 0 64 0, 0.0 3,-1.3 0, 0.0 -4,-0.1 -0.944 139.1 28.1 -84.3 -27.4 32.7 39.5 6.9 21 44 A R T 34 S+ 0 0 14 -3,-0.5 10,-0.5 1,-0.3 -5,-0.1 0.738 129.8 46.9 -66.9 -18.6 30.2 41.3 9.1 22 45 A G T 3< S+ 0 0 4 -4,-2.1 2,-1.0 -8,-0.1 -1,-0.3 0.375 80.8 100.4-106.1 -1.6 30.6 44.3 6.9 23 46 A D < - 0 0 81 -3,-1.3 3,-0.4 -5,-0.4 8,-0.2 -0.818 56.0-170.6 -77.9 107.5 30.4 42.5 3.5 24 47 A L + 0 0 4 -2,-1.0 -1,-0.1 1,-0.2 5,-0.1 0.310 57.4 98.3 -88.3 10.3 26.8 43.5 3.0 25 48 A a + 0 0 20 1,-0.1 -1,-0.2 3,-0.1 359,-0.1 0.941 66.3 71.6 -70.8 -45.2 26.3 41.3 -0.0 26 49 A N S > S- 0 0 67 -3,-0.4 3,-1.9 1,-0.2 -1,-0.1 -0.582 72.0-152.6 -71.1 117.4 24.6 38.4 1.7 27 50 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.732 94.5 63.2 -62.5 -21.0 21.1 39.6 2.7 28 51 A N T 3 S+ 0 0 126 4,-0.1 2,-0.1 5,-0.0 -2,-0.1 0.189 84.5 106.7 -86.0 12.0 21.2 37.1 5.6 29 52 A G S <> S- 0 0 6 -3,-1.9 4,-1.7 -5,-0.1 -8,-0.1 -0.378 83.2-111.2 -87.7 171.8 24.1 39.0 7.1 30 53 A V H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.812 111.2 58.3 -79.5 -32.1 23.8 41.2 10.2 31 54 A G H > S+ 0 0 1 -10,-0.5 4,-2.4 2,-0.2 5,-0.3 0.955 108.4 45.3 -62.6 -51.7 24.4 44.5 8.4 32 55 A P H > S+ 0 0 4 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.976 111.4 53.9 -52.3 -51.6 21.4 44.0 6.2 33 56 A W H X S+ 0 0 32 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.911 111.3 44.9 -52.7 -45.4 19.3 42.9 9.1 34 57 A K H X S+ 0 0 11 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.996 115.6 45.8 -61.2 -58.4 20.1 46.0 11.1 35 58 A L H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.866 111.2 53.6 -52.3 -40.2 19.6 48.4 8.2 36 59 A R H X S+ 0 0 76 -4,-3.1 4,-3.7 -5,-0.3 5,-0.3 0.968 109.2 48.3 -63.4 -51.5 16.3 46.7 7.2 37 60 A C H X S+ 0 0 3 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.923 114.2 45.7 -49.9 -52.2 14.9 47.1 10.8 38 61 A L H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.944 117.6 44.9 -58.7 -46.3 15.8 50.7 10.9 39 62 A A H X S+ 0 0 6 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.919 112.3 48.8 -65.7 -51.5 14.4 51.3 7.4 40 63 A Q H X S+ 0 0 86 -4,-3.7 4,-0.5 -5,-0.2 -1,-0.2 0.928 112.2 52.3 -51.8 -47.4 11.2 49.3 7.9 41 64 A T H >< S+ 0 0 6 -4,-2.5 3,-1.2 -5,-0.3 5,-0.5 0.932 113.6 38.3 -61.4 -54.7 10.6 51.2 11.1 42 65 A F H >< S+ 0 0 3 -4,-2.2 3,-2.7 1,-0.2 5,-0.3 0.842 104.9 70.4 -62.5 -35.5 11.0 54.8 9.8 43 66 A A H 3< S+ 0 0 83 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.668 88.3 65.3 -57.6 -17.1 9.2 53.7 6.6 44 67 A T T << S- 0 0 63 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.692 97.7-145.1 -75.4 -22.4 6.1 53.5 8.8 45 68 A G S < S+ 0 0 41 -3,-2.7 -3,-0.1 -4,-0.3 -2,-0.1 0.618 70.2 111.8 66.7 15.3 6.4 57.2 9.3 46 69 A E + 0 0 113 -5,-0.5 2,-0.8 1,-0.2 -1,-0.1 0.553 65.8 71.7 -89.7 -10.1 5.1 57.0 12.9 47 70 A V S S+ 0 0 1 -6,-0.3 2,-0.3 -5,-0.3 -2,-0.2 -0.861 74.5 129.1-108.9 98.0 8.5 58.0 14.1 48 71 A S + 0 0 64 -2,-0.8 2,-0.3 105,-0.2 23,-0.1 -0.985 12.7 109.1-152.5 157.1 8.9 61.7 13.1 49 72 A G - 0 0 37 21,-1.4 23,-0.4 -2,-0.3 3,-0.1 -0.969 62.2 -80.4 171.2-155.4 9.9 65.1 14.4 50 73 A R S S+ 0 0 113 -2,-0.3 23,-2.9 1,-0.3 2,-0.3 0.784 99.8 38.0-109.6 -49.4 12.4 67.9 14.4 51 74 A T E +b 73 0B 6 21,-0.2 102,-1.2 100,-0.1 103,-0.5 -0.806 58.1 172.8-107.9 153.9 15.3 66.8 16.7 52 75 A L E -bc 74 154B 1 21,-1.9 23,-2.7 -2,-0.3 2,-0.4 -0.975 14.5-151.6-152.7 148.0 16.8 63.4 17.4 53 76 A I E -bc 75 155B 1 101,-1.8 103,-2.1 -2,-0.3 2,-0.6 -0.995 6.6-146.9-131.0 137.0 19.8 62.3 19.4 54 77 A D E -bc 76 156B 0 21,-3.3 23,-0.9 -2,-0.4 2,-0.6 -0.909 18.0-147.3-103.7 120.9 22.1 59.3 18.9 55 78 A I E S- c 0 157B 1 101,-2.5 103,-0.5 -2,-0.6 106,-0.1 -0.765 74.5 -5.9 -90.4 121.3 23.4 57.8 22.1 56 79 A G S S+ 0 0 2 -2,-0.6 -1,-0.2 101,-0.1 22,-0.2 0.970 71.4 172.5 65.1 55.0 26.9 56.3 22.1 57 80 A S > - 0 0 0 20,-3.3 3,-1.6 -3,-0.5 21,-0.2 0.822 13.3-175.9 -62.5 -33.2 27.5 56.6 18.4 58 81 A G T 3 - 0 0 0 19,-0.6 -1,-0.2 1,-0.2 29,-0.1 -0.374 63.6 -36.7 58.4-146.8 31.0 55.6 18.7 59 82 A P T 3 S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.189 115.5 100.5 -87.7 17.9 32.8 55.8 15.4 60 83 A T < + 0 0 0 -3,-1.6 27,-0.1 1,-0.1 26,-0.0 -0.816 40.0 176.3-118.9 151.7 29.8 54.6 13.4 61 84 A V > + 0 0 1 -2,-0.3 3,-2.3 467,-0.1 4,-0.4 0.470 59.5 94.5-120.3 -12.7 27.0 56.3 11.3 62 85 A Y G > S+ 0 0 2 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.789 75.7 67.4 -57.6 -31.4 24.9 53.5 9.9 63 86 A Q G 3 S+ 0 0 1 1,-0.3 -1,-0.3 -6,-0.1 4,-0.3 0.746 104.4 46.8 -65.9 -16.4 22.4 53.7 12.6 64 87 A L G <> S+ 0 0 0 -3,-2.3 4,-3.0 2,-0.1 -1,-0.3 0.524 84.2 92.7-102.7 -4.7 21.4 57.1 11.3 65 88 A L T <4 S+ 0 0 0 -3,-1.3 4,-0.3 -4,-0.4 -2,-0.1 0.966 95.5 31.4 -60.7 -65.7 21.1 56.5 7.5 66 89 A S T >4 S+ 0 0 3 -4,-0.4 3,-1.0 1,-0.2 -1,-0.2 0.898 121.1 58.7 -57.7 -35.7 17.4 55.7 7.1 67 90 A A G >4 S+ 0 0 0 -4,-0.3 3,-2.9 1,-0.2 4,-0.4 0.946 85.2 71.8 -59.4 -53.0 16.8 58.0 10.0 68 91 A C G 3< S+ 0 0 0 -4,-3.0 3,-0.3 1,-0.3 -1,-0.2 0.549 86.8 67.8 -52.5 -10.3 18.2 61.3 8.8 69 92 A S G < S+ 0 0 43 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.1 0.526 102.3 44.7 -87.6 -3.8 15.4 61.9 6.3 70 93 A H S < S+ 0 0 58 -3,-2.9 -21,-1.4 1,-0.2 2,-0.4 0.428 109.6 52.7-115.6 -0.3 12.8 62.4 9.0 71 94 A F - 0 0 0 -4,-0.4 -21,-0.2 -3,-0.3 -1,-0.2 -0.966 56.5-163.9-140.3 118.8 14.6 64.7 11.5 72 95 A E S S+ 0 0 106 -23,-0.4 2,-0.6 -2,-0.4 -21,-0.2 0.812 81.4 53.1 -75.0 -28.3 16.2 68.0 10.5 73 96 A D E -b 51 0B 14 -23,-2.9 -21,-1.9 55,-0.1 2,-0.5 -0.892 69.1-179.7-114.5 106.6 18.4 68.4 13.7 74 97 A I E -bd 52 128B 0 53,-2.7 55,-1.5 -2,-0.6 56,-1.1 -0.901 9.6-164.5-112.8 125.2 20.5 65.4 14.5 75 98 A T E -bd 53 130B 0 -23,-2.7 -21,-3.3 -2,-0.5 2,-0.3 -0.903 5.7-162.1-107.9 125.7 22.8 65.2 17.6 76 99 A M E -bd 54 131B 0 54,-2.8 56,-3.6 -2,-0.5 2,-0.3 -0.800 11.6-171.9-103.8 150.5 25.5 62.6 17.8 77 100 A T E + d 0 132B 0 -23,-0.9 -20,-3.3 -2,-0.3 -19,-0.6 -0.990 13.7 168.5-141.3 145.1 27.2 61.6 21.0 78 101 A D E - d 0 133B 0 54,-1.8 56,-0.7 -2,-0.3 6,-0.1 -0.981 33.2-134.9-153.0 157.2 30.1 59.5 22.5 79 102 A F S S+ 0 0 79 -2,-0.3 2,-0.3 54,-0.2 -1,-0.1 0.804 86.6 66.8 -74.2 -31.6 31.9 59.0 25.7 80 103 A L S > S- 0 0 9 1,-0.1 4,-1.3 53,-0.0 5,-0.1 -0.634 70.2-142.6 -93.5 149.8 35.4 59.0 24.2 81 104 A E H > S+ 0 0 104 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.934 100.3 61.3 -68.2 -43.4 37.2 61.9 22.6 82 105 A V H > S+ 0 0 61 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.771 104.8 46.3 -59.8 -30.9 38.8 59.6 20.0 83 106 A N H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.927 108.1 54.4 -74.8 -45.6 35.5 58.5 18.6 84 107 A R H X S+ 0 0 43 -4,-1.3 4,-1.7 1,-0.3 -2,-0.2 0.840 110.1 51.3 -56.6 -30.0 34.1 62.0 18.4 85 108 A Q H X S+ 0 0 93 -4,-2.0 4,-1.9 2,-0.2 -1,-0.3 0.877 108.5 48.5 -72.2 -40.7 37.3 62.6 16.4 86 109 A E H X S+ 0 0 7 -4,-1.5 4,-1.4 2,-0.2 12,-0.2 0.943 110.2 51.8 -65.6 -46.8 36.7 59.7 14.1 87 110 A L H X S+ 0 0 2 -4,-3.1 4,-2.7 1,-0.2 3,-0.5 0.929 107.2 55.1 -52.9 -45.6 33.1 60.8 13.5 88 111 A G H X S+ 0 0 20 -4,-1.7 4,-2.6 -5,-0.3 6,-0.4 0.927 100.8 57.6 -52.8 -49.5 34.5 64.2 12.6 89 112 A R H <>S+ 0 0 70 -4,-1.9 5,-1.0 1,-0.2 8,-0.3 0.862 113.9 38.5 -52.1 -38.6 36.7 62.8 10.0 90 113 A W H ><5S+ 0 0 9 -4,-1.4 3,-0.6 -3,-0.5 -1,-0.2 0.815 113.3 55.3 -85.5 -28.2 33.8 61.3 8.2 91 114 A L H 3<5S+ 0 0 15 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.862 115.9 37.7 -68.1 -34.1 31.4 64.2 8.8 92 115 A Q T 3<5S- 0 0 133 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.257 108.5-120.8-101.8 10.6 33.8 66.7 7.3 93 116 A E T < 5 + 0 0 145 -3,-0.6 -3,-0.2 -5,-0.2 -4,-0.1 0.702 57.5 164.1 58.5 20.0 35.0 64.4 4.5 94 117 A E > < - 0 0 94 -5,-1.0 3,-0.9 -6,-0.4 2,-0.2 0.091 45.0 -68.7 -59.8 175.2 38.5 64.8 5.9 95 118 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.516 114.3 17.8 -71.3 136.1 41.4 62.4 5.1 96 119 A G T 3 S+ 0 0 55 -2,-0.2 -6,-0.1 1,-0.2 -7,-0.1 0.646 81.8 159.4 81.9 17.1 41.4 58.9 6.3 97 120 A A < - 0 0 33 -3,-0.9 2,-0.3 -8,-0.3 -1,-0.2 -0.149 48.0 -99.7 -61.2 162.7 37.7 58.7 7.1 98 121 A F - 0 0 31 -12,-0.2 2,-1.0 -39,-0.1 -1,-0.1 -0.669 36.7-115.5 -84.0 147.9 36.0 55.3 7.3 99 122 A N + 0 0 99 -2,-0.3 3,-0.3 1,-0.2 4,-0.2 -0.719 42.0 163.2 -93.5 102.4 34.2 54.2 4.2 100 123 A W >> + 0 0 2 -2,-1.0 4,-2.3 1,-0.2 3,-1.3 0.431 44.2 108.6 -94.4 2.0 30.5 53.9 5.0 101 124 A S H 3> S+ 0 0 17 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.862 72.7 55.4 -51.8 -44.4 29.5 53.9 1.3 102 125 A M H 3> S+ 0 0 39 -3,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.872 112.3 46.6 -61.2 -28.7 28.5 50.2 1.2 103 126 A Y H <> S+ 0 0 2 -3,-1.3 4,-3.1 2,-0.2 -2,-0.2 0.963 110.0 50.5 -72.6 -52.0 26.2 50.9 4.1 104 127 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.927 110.0 53.5 -50.5 -49.2 24.7 54.1 2.5 105 128 A Q H X S+ 0 0 11 -4,-3.1 4,-3.1 2,-0.2 -1,-0.2 0.910 110.8 43.7 -49.6 -50.8 24.1 52.0 -0.7 106 129 A H H X S+ 0 0 16 -4,-1.6 4,-3.1 1,-0.2 5,-0.3 0.886 108.9 58.5 -70.9 -31.9 22.2 49.3 1.2 107 130 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.949 113.2 39.8 -53.0 -46.4 20.4 52.0 3.0 108 131 A C H X>S+ 0 0 1 -4,-2.5 4,-1.2 -5,-0.2 5,-0.5 0.870 112.9 54.4 -75.2 -38.3 19.3 53.2 -0.4 109 132 A L H <5S+ 0 0 15 -4,-3.1 -1,-0.2 -5,-0.2 273,-0.2 0.934 114.0 42.1 -54.9 -48.5 18.7 49.8 -1.7 110 133 A I H <5S+ 0 0 55 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.864 108.6 55.1 -73.8 -44.3 16.4 48.9 1.2 111 134 A E H <5S- 0 0 43 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.791 91.5-151.2 -62.4 -26.3 14.4 52.1 1.4 112 135 A G T <5 + 0 0 50 -4,-1.2 -3,-0.1 -5,-0.2 -4,-0.1 0.785 56.6 124.8 63.4 30.7 13.6 51.7 -2.3 113 136 A K S > - 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