==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-NOV-09 3KQW . 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) . 20532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 372 70.6 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 . 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 26.9 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 0 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 2 3 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 24 A A 0 0 94 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -44.4 34.9 53.7 32.1 2 25 A S > + 0 0 101 1,-0.2 3,-1.3 2,-0.2 4,-0.3 0.769 360.0 64.5 -70.7 -27.1 38.7 53.2 32.3 3 26 A A G > S+ 0 0 46 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.862 94.5 58.2 -65.1 -35.8 38.2 50.3 29.9 4 27 A Y G > S+ 0 0 13 1,-0.2 3,-0.6 -3,-0.2 -1,-0.3 0.495 87.6 78.5 -72.7 -1.4 37.0 52.6 27.1 5 28 A Q G < S+ 0 0 131 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.714 93.3 47.8 -80.7 -19.0 40.2 54.5 27.3 6 29 A R G < S+ 0 0 179 -3,-1.2 198,-0.7 -4,-0.3 197,-0.5 0.310 82.8 132.8 -98.9 7.1 42.1 51.9 25.3 7 30 A F B < -A 202 0A 7 -3,-0.6 195,-0.2 196,-0.2 75,-0.1 -0.476 43.5-157.0 -72.6 110.7 39.3 51.8 22.6 8 31 A E > - 0 0 84 193,-1.9 4,-1.8 -2,-0.5 3,-0.4 -0.788 3.2-157.8 -90.6 108.2 40.7 51.9 19.0 9 32 A P H > S+ 0 0 16 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.863 92.0 51.3 -52.9 -41.9 37.9 53.2 16.6 10 33 A R H > S+ 0 0 118 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.868 108.5 52.5 -65.6 -34.1 39.5 51.6 13.5 11 34 A A H > S+ 0 0 12 -3,-0.4 4,-1.6 2,-0.2 191,-0.3 0.845 111.1 46.9 -71.5 -32.0 39.7 48.3 15.3 12 35 A Y H X S+ 0 0 10 -4,-1.8 4,-1.5 189,-0.2 5,-0.4 0.952 113.9 46.9 -69.8 -50.4 36.0 48.5 16.1 13 36 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.4 0.921 114.9 47.7 -55.4 -45.5 35.1 49.5 12.5 14 37 A R H X S+ 0 0 174 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.869 111.5 50.1 -63.7 -38.0 37.3 46.8 11.1 15 38 A N H < S+ 0 0 24 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.727 128.6 17.2 -73.3 -25.6 35.8 44.1 13.5 16 39 A N H < S+ 0 0 20 -4,-1.5 -2,-0.2 -3,-0.4 -3,-0.2 0.576 128.7 40.2-125.0 -21.0 32.2 44.8 12.8 17 40 A Y H < S+ 0 0 7 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.358 101.9 69.6-123.2 4.7 31.8 46.8 9.7 18 41 A A S >X S- 0 0 27 -4,-0.6 4,-1.0 -5,-0.4 3,-0.6 -0.747 94.7 -26.4-112.1 164.4 34.3 45.2 7.4 19 42 A P T 34 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.202 121.8 23.8 -52.8 144.8 34.0 41.7 5.9 20 43 A P T >4 S+ 0 0 61 0, 0.0 3,-1.5 0, 0.0 -4,-0.1 -0.961 138.4 29.5 -84.0 -24.3 32.6 39.3 6.8 21 44 A R T <4 S+ 0 0 13 -3,-0.6 10,-0.4 1,-0.3 -5,-0.1 0.640 124.9 52.6 -69.2 -13.5 30.1 41.2 9.0 22 45 A G T 3< S+ 0 0 10 -4,-1.0 2,-0.9 -8,-0.1 -1,-0.3 0.256 75.5 109.8-108.7 8.5 30.4 44.1 6.5 23 46 A D < - 0 0 74 -3,-1.5 3,-0.3 -5,-0.3 8,-0.2 -0.779 45.1-175.3 -80.1 112.1 29.7 42.2 3.3 24 47 A L + 0 0 7 -2,-0.9 -1,-0.2 1,-0.2 5,-0.1 0.493 61.7 88.6 -87.8 0.4 26.4 43.6 2.4 25 48 A a S S+ 0 0 18 2,-0.1 359,-0.3 3,-0.0 -1,-0.2 0.887 74.3 67.1 -70.7 -40.8 25.9 41.3 -0.6 26 49 A N S > S- 0 0 78 -3,-0.3 3,-1.7 1,-0.1 -1,-0.0 -0.736 73.2-151.0 -82.0 123.6 24.3 38.3 1.2 27 50 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.582 92.4 66.0 -72.5 -9.4 20.8 39.4 2.4 28 51 A N T 3 S+ 0 0 123 4,-0.1 -4,-0.0 5,-0.0 -3,-0.0 0.459 81.3 103.1 -89.7 -4.5 21.1 36.9 5.3 29 52 A G S <> S- 0 0 8 -3,-1.7 4,-1.6 -6,-0.1 -8,-0.1 -0.264 84.3-111.1 -77.0 166.9 24.0 38.8 7.0 30 53 A V H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.829 111.8 61.5 -69.7 -32.6 23.7 41.0 10.0 31 54 A G H > S+ 0 0 2 -10,-0.4 4,-2.0 -8,-0.2 5,-0.2 0.972 106.8 41.7 -57.2 -59.5 24.4 44.2 8.0 32 55 A P H > S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.881 111.8 57.1 -59.6 -39.6 21.4 44.0 5.7 33 56 A W H X S+ 0 0 28 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.939 107.5 48.3 -53.9 -49.2 19.2 42.9 8.6 34 57 A K H X S+ 0 0 11 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.966 113.4 44.7 -56.7 -57.6 20.0 46.0 10.6 35 58 A L H X S+ 0 0 3 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.828 111.2 55.7 -57.1 -35.2 19.4 48.4 7.7 36 59 A R H X S+ 0 0 72 -4,-2.3 4,-3.2 -5,-0.2 5,-0.3 0.952 106.7 49.3 -63.6 -48.4 16.2 46.6 6.9 37 60 A C H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.914 114.8 44.5 -55.5 -46.8 14.9 47.1 10.4 38 61 A L H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.968 116.7 44.9 -64.1 -51.4 15.7 50.8 10.3 39 62 A A H X S+ 0 0 6 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.929 112.2 50.8 -59.5 -51.7 14.3 51.4 6.8 40 63 A Q H X S+ 0 0 77 -4,-3.2 4,-0.7 -5,-0.2 -1,-0.2 0.908 110.3 51.4 -51.7 -47.1 11.1 49.3 7.4 41 64 A T H >< S+ 0 0 3 -4,-2.0 3,-0.9 -5,-0.3 5,-0.5 0.916 112.9 42.5 -60.4 -48.8 10.4 51.3 10.6 42 65 A F H >< S+ 0 0 3 -4,-2.3 3,-2.2 1,-0.2 5,-0.3 0.858 104.1 66.2 -67.8 -33.5 10.8 54.8 9.0 43 66 A A H 3< S+ 0 0 86 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.720 86.6 72.1 -61.4 -19.0 8.8 53.7 5.9 44 67 A T T << S- 0 0 62 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.718 98.6-138.0 -65.7 -21.2 5.8 53.3 8.2 45 68 A G S < S+ 0 0 46 -3,-2.2 -2,-0.1 -4,-0.2 -3,-0.1 0.567 77.4 104.9 71.8 11.7 5.7 57.1 8.3 46 69 A E + 0 0 100 -5,-0.5 2,-0.9 1,-0.2 -4,-0.1 0.546 61.6 71.2-100.2 -10.0 5.0 57.0 12.1 47 70 A V S S+ 0 0 2 -6,-0.3 2,-0.3 -5,-0.3 -1,-0.2 -0.771 74.0 136.2-104.7 86.6 8.5 58.1 13.3 48 71 A S + 0 0 64 -2,-0.9 2,-0.3 105,-0.1 23,-0.1 -0.860 10.9 104.1-134.0 162.3 8.5 61.7 12.2 49 72 A G - 0 0 36 21,-0.9 23,-0.4 -2,-0.3 3,-0.1 -0.989 64.6 -83.1 157.0-162.2 9.5 65.1 13.6 50 73 A R S S+ 0 0 116 -2,-0.3 23,-2.5 1,-0.3 2,-0.4 0.767 97.3 38.1-112.7 -39.1 12.1 67.8 13.5 51 74 A T E +b 73 0B 7 21,-0.2 102,-1.9 20,-0.1 103,-0.7 -0.934 56.6 178.1-126.7 146.5 14.9 66.8 15.8 52 75 A L E -bc 74 154B 1 21,-2.3 23,-2.3 -2,-0.4 2,-0.4 -0.990 12.3-153.1-143.2 146.1 16.6 63.5 16.5 53 76 A I E -bc 75 155B 1 101,-1.5 103,-2.5 -2,-0.3 2,-0.6 -0.987 6.1-151.6-125.9 133.5 19.5 62.3 18.7 54 77 A D E > -bc 76 156B 0 21,-2.9 23,-1.0 -2,-0.4 2,-0.6 -0.902 19.0-146.1-102.6 120.7 21.8 59.3 18.2 55 78 A I T 3 S- 0 0 0 101,-3.2 103,-0.5 -2,-0.6 106,-0.1 -0.788 75.0 -4.2 -97.4 118.3 23.1 57.9 21.5 56 79 A G T 3 S+ 0 0 1 -2,-0.6 -1,-0.3 101,-0.1 102,-0.3 0.965 72.4 174.7 65.8 54.8 26.6 56.4 21.6 57 80 A S X - 0 0 0 20,-3.0 3,-1.8 -3,-0.5 21,-0.2 0.744 13.5-172.8 -61.3 -26.2 27.1 56.8 17.9 58 81 A G T 3 - 0 0 0 19,-0.6 -1,-0.2 1,-0.2 29,-0.1 -0.372 62.1 -41.6 57.6-144.2 30.7 55.6 18.2 59 82 A P T 3 S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.016 114.5 102.9-100.1 26.4 32.5 56.0 14.9 60 83 A T < + 0 0 0 -3,-1.8 27,-0.0 1,-0.1 40,-0.0 -0.852 38.7 174.9-118.4 150.5 29.5 54.8 12.8 61 84 A V > + 0 0 1 -2,-0.3 3,-2.7 2,-0.1 4,-0.4 0.569 59.2 94.3-122.6 -18.1 26.9 56.5 10.7 62 85 A Y G > S+ 0 0 2 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.773 75.5 69.8 -49.2 -34.6 24.8 53.6 9.1 63 86 A Q G 3 S+ 0 0 2 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.583 103.8 43.1 -65.1 -8.1 22.3 53.8 11.9 64 87 A L G <> S+ 0 0 0 -3,-2.7 4,-2.8 2,-0.1 -1,-0.3 0.430 82.9 99.5-112.6 -3.1 21.1 57.2 10.6 65 88 A L T <4 S+ 0 0 0 -3,-1.5 4,-0.2 -4,-0.4 -2,-0.1 0.893 96.7 28.3 -56.4 -47.8 21.1 56.5 6.8 66 89 A S T >4 S+ 0 0 4 -4,-0.4 3,-0.6 1,-0.2 -1,-0.3 0.714 119.3 59.6 -82.2 -24.7 17.3 55.9 6.6 67 90 A A G >4 S+ 0 0 0 1,-0.2 3,-2.7 2,-0.1 4,-0.5 0.900 87.0 73.9 -71.6 -38.4 16.6 58.2 9.5 68 91 A C G 3< S+ 0 0 0 -4,-2.8 3,-0.4 1,-0.3 -1,-0.2 0.635 86.6 61.0 -62.6 -18.6 18.1 61.3 8.0 69 92 A S G < S+ 0 0 34 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.1 0.431 106.3 49.7 -84.5 3.2 15.3 61.9 5.5 70 93 A H S < S+ 0 0 50 -3,-2.7 -21,-0.9 1,-0.2 2,-0.4 0.475 107.3 51.8-114.3 -7.2 12.8 62.3 8.4 71 94 A F - 0 0 0 -4,-0.5 -1,-0.2 -3,-0.4 -21,-0.2 -0.964 54.4-164.6-140.2 119.9 14.6 64.7 10.7 72 95 A E S S+ 0 0 103 -2,-0.4 2,-0.5 -23,-0.4 -21,-0.2 0.760 83.7 49.1 -75.6 -25.4 16.0 68.1 9.8 73 96 A D E S-b 51 0B 15 -23,-2.5 -21,-2.3 55,-0.1 2,-0.4 -0.950 70.5-178.9-119.4 114.3 18.1 68.5 12.9 74 97 A I E -bd 52 128B 0 53,-2.8 55,-2.3 -2,-0.5 56,-1.2 -0.925 10.1-166.1-117.4 135.7 20.3 65.6 13.9 75 98 A T E -bd 53 130B 0 -23,-2.3 -21,-2.9 -2,-0.4 2,-0.3 -0.972 6.3-163.3-118.2 125.4 22.6 65.3 16.9 76 99 A M E -bd 54 131B 1 54,-2.6 56,-2.9 -2,-0.5 2,-0.3 -0.821 13.1-169.7-107.0 151.7 25.2 62.6 17.2 77 100 A T E + d 0 132B 0 -23,-1.0 -20,-3.0 -2,-0.3 -19,-0.6 -0.958 15.9 165.1-137.8 153.3 26.9 61.7 20.4 78 101 A D E - d 0 133B 0 54,-2.0 56,-0.8 -2,-0.3 6,-0.1 -0.939 35.7-133.7-161.8 158.4 29.6 59.7 22.0 79 102 A F S S+ 0 0 63 -2,-0.3 2,-0.3 54,-0.2 -1,-0.1 0.903 87.3 72.4 -68.7 -42.6 31.5 59.3 25.3 80 103 A L > - 0 0 7 1,-0.1 4,-1.5 53,-0.1 5,-0.1 -0.559 66.9-148.3 -87.8 138.1 35.0 59.2 23.6 81 104 A E H > S+ 0 0 99 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.927 99.8 57.4 -58.9 -49.7 36.9 62.1 22.0 82 105 A V H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.872 106.6 48.3 -54.7 -43.6 38.5 59.8 19.4 83 106 A N H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.880 108.4 54.0 -63.0 -41.2 35.1 58.5 18.1 84 107 A R H X S+ 0 0 44 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.856 110.7 48.0 -62.0 -33.2 33.9 62.1 17.8 85 108 A Q H X S+ 0 0 91 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.922 107.5 53.4 -72.4 -44.2 37.0 62.8 15.7 86 109 A E H X S+ 0 0 8 -4,-2.5 4,-1.0 1,-0.2 12,-0.4 0.874 110.5 49.0 -58.6 -36.3 36.4 59.7 13.5 87 110 A L H >X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 3,-0.5 0.924 107.0 55.6 -63.9 -47.5 32.9 61.0 12.9 88 111 A G H 3X S+ 0 0 19 -4,-1.9 4,-2.9 1,-0.2 6,-0.3 0.934 102.0 56.9 -49.9 -52.7 34.2 64.4 12.0 89 112 A R H 3<>S+ 0 0 65 -4,-2.4 5,-2.7 1,-0.2 -1,-0.2 0.826 112.6 40.5 -49.8 -39.9 36.4 63.0 9.4 90 113 A W H X<5S+ 0 0 6 -4,-1.0 3,-1.2 -3,-0.5 -1,-0.2 0.883 114.3 50.9 -81.2 -38.6 33.5 61.4 7.6 91 114 A L H 3<5S+ 0 0 20 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.890 116.8 41.8 -61.7 -36.5 31.1 64.3 8.0 92 115 A Q T 3<5S- 0 0 127 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.168 109.2-121.3 -98.1 15.2 33.7 66.7 6.6 93 116 A E T < 5 + 0 0 142 -3,-1.2 -3,-0.2 -5,-0.1 -4,-0.1 0.826 57.0 164.0 46.9 39.3 34.9 64.4 3.8 94 117 A E > < - 0 0 94 -5,-2.7 3,-0.9 -6,-0.3 2,-0.2 -0.098 43.8 -77.2 -79.1 177.7 38.4 64.5 5.3 95 118 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.580 114.2 21.9 -77.9 141.6 41.4 62.2 4.6 96 119 A G T 3 S+ 0 0 56 1,-0.2 2,-0.2 -2,-0.2 -6,-0.1 0.723 85.9 154.0 75.1 22.0 41.4 58.8 6.2 97 120 A A < - 0 0 31 -3,-0.9 -1,-0.2 -8,-0.2 2,-0.1 -0.497 51.9-101.0 -75.0 151.5 37.6 58.8 6.7 98 121 A F - 0 0 30 -12,-0.4 2,-0.9 -2,-0.2 -1,-0.1 -0.476 33.3-120.9 -69.9 146.7 35.8 55.5 6.9 99 122 A N + 0 0 100 1,-0.1 3,-0.3 -2,-0.1 4,-0.1 -0.797 40.1 163.7 -95.1 103.1 34.1 54.5 3.7 100 123 A W >> + 0 0 2 -2,-0.9 4,-1.8 1,-0.2 3,-1.8 0.440 42.5 109.4 -93.2 -0.6 30.4 54.0 4.4 101 124 A S H 3> S+ 0 0 14 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.787 71.8 57.3 -56.8 -34.7 29.4 54.1 0.8 102 125 A M H 3> S+ 0 0 61 -3,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.868 110.9 46.5 -56.3 -37.5 28.5 50.3 0.6 103 126 A Y H <> S+ 0 0 9 -3,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.855 111.5 49.7 -75.0 -40.3 26.0 51.0 3.4 104 127 A S H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.944 110.4 51.3 -59.3 -50.0 24.6 54.1 1.8 105 128 A Q H X S+ 0 0 5 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.907 111.2 48.4 -55.5 -42.5 24.1 52.2 -1.4 106 129 A H H X S+ 0 0 13 -4,-1.6 4,-3.1 2,-0.2 -1,-0.2 0.864 107.3 53.0 -71.7 -35.0 22.3 49.5 0.5 107 130 A A H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.924 112.2 47.6 -61.7 -42.1 20.0 51.9 2.3 108 131 A C H X>S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 5,-0.5 0.929 112.9 48.4 -63.7 -46.2 19.1 53.3 -1.1 109 132 A L H <5S+ 0 0 16 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.960 116.8 42.4 -51.8 -56.8 18.6 49.8 -2.5 110 133 A I H <5S+ 0 0 58 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.906 111.4 52.5 -62.8 -47.9 16.4 48.8 0.5 111 134 A E H <5S- 0 0 35 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.834 91.5-155.0 -62.2 -32.9 14.4 52.0 0.7 112 135 A G T <5 + 0 0 56 -4,-1.8 -3,-0.1 -5,-0.2 -4,-0.1 0.869 53.2 125.2 64.6 42.4 13.6 51.7 -3.0 113 136 A K S > - 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