==== 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 16-NOV-09 3KPJ . 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) . 20430.0 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 . 51 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 10.2 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 . 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 . 59 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 0 2 2 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 0 4 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 . 2 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 87 0, 0.0 3,-0.6 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -1.5 35.0 52.4 32.6 2 25 A S G > + 0 0 107 1,-0.2 3,-1.3 2,-0.2 4,-0.2 0.665 360.0 71.8 -72.0 -17.6 38.8 52.9 32.6 3 26 A A G > S+ 0 0 42 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.835 84.1 67.1 -65.6 -31.9 39.0 50.1 30.1 4 27 A Y G < S+ 0 0 9 -3,-0.6 3,-0.4 1,-0.3 -1,-0.3 0.580 83.6 76.1 -66.9 -7.1 37.5 52.4 27.5 5 28 A Q G < S+ 0 0 137 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.675 94.9 46.6 -81.4 -16.7 40.7 54.4 27.7 6 29 A R S < S+ 0 0 174 -3,-1.8 198,-0.6 -4,-0.2 197,-0.5 0.457 85.3 131.9 -95.5 -2.9 42.6 51.8 25.7 7 30 A F - 0 0 8 -3,-0.4 195,-0.2 -4,-0.3 75,-0.1 -0.308 42.4-160.4 -57.5 117.8 39.7 51.8 23.1 8 31 A E >> - 0 0 80 193,-2.3 4,-2.1 -2,-0.2 3,-0.5 -0.900 7.2-160.5-105.6 111.0 40.9 52.1 19.5 9 32 A P H 3> S+ 0 0 15 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.903 90.9 53.8 -55.0 -50.0 38.2 53.3 17.0 10 33 A R H 3> S+ 0 0 124 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.828 110.9 47.7 -57.8 -33.0 40.1 52.0 13.9 11 34 A A H <> S+ 0 0 17 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.896 113.7 47.0 -74.8 -39.7 40.3 48.6 15.5 12 35 A Y H X S+ 0 0 9 -4,-2.1 4,-2.0 189,-0.2 5,-0.3 0.979 112.5 48.2 -62.4 -59.0 36.6 48.6 16.5 13 36 A L H X S+ 0 0 1 -4,-3.2 4,-2.8 1,-0.2 5,-0.4 0.903 113.2 50.0 -45.0 -47.4 35.5 49.8 13.1 14 37 A R H X S+ 0 0 178 -4,-1.7 4,-0.7 -5,-0.3 -1,-0.2 0.893 110.8 49.2 -60.5 -43.3 37.7 47.1 11.5 15 38 A N H < S+ 0 0 28 -4,-2.1 6,-0.2 -3,-0.2 -1,-0.2 0.785 127.9 19.6 -65.8 -32.8 36.2 44.4 13.8 16 39 A N H < S+ 0 0 19 -4,-2.0 -2,-0.2 -3,-0.2 -3,-0.2 0.589 128.9 36.7-118.6 -17.7 32.6 45.2 13.2 17 40 A Y H < S+ 0 0 7 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.300 100.6 74.0-131.5 5.2 32.2 47.2 10.0 18 41 A A S X S- 0 0 26 -4,-0.7 4,-1.6 -5,-0.4 3,-0.5 -0.785 95.0 -30.4-109.0 160.8 34.8 45.7 7.7 19 42 A P T 4 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.180 122.6 26.0 -47.0 146.5 34.3 42.3 6.0 20 43 A P T >4 S+ 0 0 62 0, 0.0 3,-1.7 0, 0.0 -4,-0.1 -0.916 140.2 25.3 -83.8 -29.7 32.9 39.9 7.0 21 44 A R T 34 S+ 0 0 15 -3,-0.5 10,-0.3 1,-0.3 -5,-0.1 0.728 127.5 54.3 -64.1 -19.1 30.4 41.7 9.2 22 45 A G T 3< S+ 0 0 7 -4,-1.6 2,-0.6 -8,-0.2 -1,-0.3 0.505 79.8 102.0 -94.2 -8.5 31.0 44.6 6.9 23 46 A D < - 0 0 75 -3,-1.7 8,-0.3 -5,-0.3 3,-0.2 -0.695 47.8-177.2 -73.9 119.0 30.2 42.8 3.7 24 47 A L + 0 0 7 -2,-0.6 -1,-0.2 1,-0.2 5,-0.1 0.545 60.3 91.1 -98.6 -5.3 26.7 44.0 2.9 25 48 A a S S+ 0 0 18 1,-0.1 359,-0.2 3,-0.1 -1,-0.2 0.857 74.0 71.6 -58.8 -40.1 26.2 41.9 -0.2 26 49 A N > - 0 0 73 -3,-0.2 3,-1.5 1,-0.2 5,-0.1 -0.744 69.6-158.3 -85.0 119.8 24.7 39.0 1.8 27 50 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.768 88.9 65.8 -65.2 -32.2 21.2 40.0 2.9 28 51 A N T 3 S+ 0 0 126 4,-0.1 2,-0.1 -3,-0.1 -2,-0.1 0.353 86.0 107.1 -73.8 6.2 21.2 37.4 5.7 29 52 A G S <> S- 0 0 7 -3,-1.5 4,-1.8 -5,-0.1 5,-0.1 -0.332 82.1-113.6 -85.1 170.6 24.0 39.4 7.4 30 53 A V H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.813 111.8 54.8 -72.5 -32.5 24.0 41.5 10.5 31 54 A G H > S+ 0 0 2 -10,-0.3 4,-2.3 -8,-0.3 5,-0.2 0.982 110.3 43.4 -65.4 -59.3 24.7 44.8 8.6 32 55 A P H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.897 114.0 54.4 -52.5 -40.6 21.8 44.5 6.2 33 56 A W H X S+ 0 0 32 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.915 108.2 47.0 -60.2 -46.9 19.5 43.4 9.2 34 57 A K H X S+ 0 0 13 -4,-2.2 4,-1.8 1,-0.2 5,-0.2 0.972 114.0 48.3 -58.4 -50.2 20.4 46.4 11.3 35 58 A L H X S+ 0 0 2 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.872 109.0 53.1 -60.3 -41.5 19.8 48.8 8.3 36 59 A R H X S+ 0 0 75 -4,-2.5 4,-3.3 -5,-0.2 5,-0.3 0.947 105.8 53.6 -61.5 -47.7 16.4 47.1 7.4 37 60 A C H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.917 113.8 42.0 -49.7 -51.6 15.1 47.5 11.0 38 61 A L H X S+ 0 0 4 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.943 115.5 49.9 -63.0 -47.2 15.8 51.3 11.0 39 62 A A H X S+ 0 0 7 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.952 113.5 45.6 -55.5 -53.2 14.6 51.7 7.4 40 63 A Q H X S+ 0 0 77 -4,-3.3 4,-0.8 1,-0.2 -1,-0.2 0.891 111.5 52.0 -57.6 -44.9 11.3 49.9 8.1 41 64 A T H >< S+ 0 0 1 -4,-2.1 3,-1.2 -5,-0.3 5,-0.5 0.953 113.8 41.2 -64.1 -50.5 10.7 51.7 11.4 42 65 A F H >< S+ 0 0 3 -4,-2.4 3,-2.1 1,-0.3 -1,-0.2 0.853 104.3 67.8 -64.7 -35.3 11.1 55.2 9.9 43 66 A A H 3< S+ 0 0 84 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.692 88.5 66.6 -57.5 -21.8 9.2 54.2 6.8 44 67 A T T << S- 0 0 63 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.803 98.4-145.1 -65.7 -29.5 6.1 53.9 9.1 45 68 A G S < S+ 0 0 45 -3,-2.1 -3,-0.1 -4,-0.4 -2,-0.1 0.872 71.6 108.2 63.7 38.3 6.5 57.7 9.4 46 69 A E + 0 0 101 -5,-0.5 2,-0.8 1,-0.1 -4,-0.1 0.459 63.5 73.6-113.4 -16.3 5.3 57.6 13.0 47 70 A V S S+ 0 0 1 -6,-0.3 2,-0.3 -5,-0.2 -2,-0.2 -0.895 75.4 124.1 -96.1 107.8 8.8 58.3 14.3 48 71 A S + 0 0 60 -2,-0.8 2,-0.3 105,-0.2 23,-0.1 -0.989 14.7 115.0-163.6 160.6 9.2 62.0 13.4 49 72 A G - 0 0 34 21,-1.3 23,-0.3 -2,-0.3 3,-0.1 -0.981 63.8 -78.5 163.2-164.8 10.1 65.4 14.7 50 73 A R S S+ 0 0 114 -2,-0.3 23,-2.8 21,-0.2 22,-0.4 0.852 101.8 39.4 -95.9 -43.1 12.6 68.2 14.6 51 74 A T E +a 73 0A 7 21,-0.2 102,-1.4 20,-0.1 103,-0.9 -0.858 55.9 178.2-118.9 148.1 15.4 67.0 16.8 52 75 A L E -ab 74 154A 0 21,-2.2 23,-2.6 -2,-0.3 2,-0.4 -0.994 12.5-153.1-144.1 142.5 17.1 63.6 17.4 53 76 A I E -ab 75 155A 0 101,-1.7 103,-2.2 -2,-0.3 2,-0.8 -0.982 6.7-149.6-123.9 127.3 20.0 62.5 19.6 54 77 A D E > -ab 76 156A 0 21,-3.4 23,-1.2 -2,-0.4 2,-0.6 -0.846 17.9-151.3 -95.2 109.1 22.3 59.6 19.0 55 78 A I E 3 S+ b 0 157A 0 101,-2.6 103,-0.5 -2,-0.8 105,-0.1 -0.705 74.1 0.3 -83.8 117.2 23.5 58.2 22.3 56 79 A G T 3 S+ 0 0 2 -2,-0.6 102,-0.3 101,-0.1 -1,-0.2 0.952 72.5 171.7 77.2 51.3 26.9 56.5 22.3 57 80 A S X - 0 0 0 20,-3.3 3,-1.6 -3,-0.6 21,-0.2 0.790 11.6-176.9 -63.7 -32.5 27.7 57.0 18.6 58 81 A G T 3 - 0 0 0 19,-0.5 -1,-0.2 1,-0.2 29,-0.1 -0.360 64.9 -37.7 56.9-141.8 31.2 55.8 18.8 59 82 A P T 3 S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.151 115.2 100.4 -96.4 22.9 33.0 56.1 15.5 60 83 A T < + 0 0 0 -3,-1.6 27,-0.1 1,-0.1 26,-0.0 -0.839 39.2 175.5-122.0 151.5 29.9 55.1 13.5 61 84 A V > + 0 0 0 -2,-0.3 3,-2.9 467,-0.1 4,-0.4 0.530 61.2 96.0-120.7 -18.1 27.2 56.9 11.5 62 85 A Y G > S+ 0 0 2 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.774 74.2 68.8 -49.2 -33.2 25.3 54.0 10.0 63 86 A Q G 3 S+ 0 0 1 1,-0.2 -1,-0.3 -6,-0.1 4,-0.2 0.671 104.5 43.7 -66.0 -9.7 22.7 54.2 12.8 64 87 A L G <> S+ 0 0 0 -3,-2.9 4,-2.6 1,-0.1 -1,-0.2 0.459 80.4 100.0-114.1 -1.6 21.5 57.5 11.4 65 88 A L T <4 S+ 0 0 0 -3,-1.2 4,-0.1 -4,-0.4 -2,-0.1 0.874 96.0 30.0 -56.2 -45.3 21.4 56.9 7.6 66 89 A S T >4 S+ 0 0 5 -4,-0.4 3,-0.9 1,-0.2 -1,-0.2 0.796 118.2 59.8 -83.5 -29.1 17.6 56.3 7.4 67 90 A A G >> S+ 0 0 0 1,-0.2 3,-2.6 -4,-0.2 4,-0.6 0.856 85.4 75.7 -67.1 -37.7 17.0 58.6 10.3 68 91 A C G 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 3,-0.2 0.614 87.3 61.2 -59.0 -15.2 18.5 61.8 8.8 69 92 A S G <4 S+ 0 0 34 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.1 0.533 105.0 46.8 -90.0 -2.1 15.5 62.4 6.5 70 93 A H T <4 S+ 0 0 51 -3,-2.6 -21,-1.3 1,-0.2 2,-0.4 0.477 110.3 48.5-116.0 -7.6 13.0 62.7 9.3 71 94 A F < - 0 0 0 -4,-0.6 -1,-0.2 -3,-0.2 -21,-0.2 -0.989 55.4-165.6-139.0 124.8 14.8 65.1 11.7 72 95 A E S S+ 0 0 100 -22,-0.4 2,-0.7 -2,-0.4 -21,-0.2 0.807 82.2 56.5 -81.3 -30.5 16.5 68.4 10.7 73 96 A D E S+a 51 0A 12 -23,-2.8 -21,-2.2 55,-0.1 2,-0.5 -0.886 70.9 178.9-105.9 106.7 18.5 68.8 13.9 74 97 A I E -ac 52 128A 0 53,-2.7 55,-2.2 -2,-0.7 56,-1.0 -0.925 9.1-167.3-115.3 130.8 20.7 65.8 14.6 75 98 A T E -ac 53 130A 1 -23,-2.6 -21,-3.4 -2,-0.5 2,-0.3 -0.948 2.5-164.0-117.4 129.1 23.0 65.5 17.6 76 99 A M E -ac 54 131A 0 54,-2.5 56,-3.7 -2,-0.4 2,-0.3 -0.817 12.0-177.8-111.9 150.9 25.7 62.8 18.0 77 100 A T E + c 0 132A 0 -23,-1.2 -20,-3.3 -2,-0.3 -19,-0.5 -0.957 11.3 164.8-143.7 157.6 27.5 61.9 21.2 78 101 A D E - c 0 133A 0 54,-1.9 56,-1.2 -2,-0.3 -2,-0.0 -0.953 37.6-124.6-164.2 167.4 30.1 59.7 22.7 79 102 A F S S+ 0 0 65 -2,-0.3 2,-0.3 54,-0.3 -1,-0.1 0.900 88.8 67.2 -77.5 -45.2 32.2 59.2 25.8 80 103 A L > - 0 0 9 1,-0.1 4,-1.4 53,-0.1 3,-0.4 -0.579 66.9-146.6 -89.9 140.1 35.7 59.2 24.2 81 104 A E H > S+ 0 0 107 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.921 99.4 63.3 -61.2 -44.9 37.3 62.2 22.4 82 105 A V H > S+ 0 0 64 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.799 103.7 48.7 -53.6 -33.0 39.0 59.8 20.0 83 106 A N H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.906 109.0 50.5 -72.4 -44.6 35.6 58.8 18.6 84 107 A R H X S+ 0 0 41 -4,-1.4 4,-3.0 1,-0.2 -2,-0.2 0.885 111.5 49.8 -62.1 -37.9 34.3 62.3 18.2 85 108 A Q H X S+ 0 0 87 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.887 110.1 50.8 -65.5 -37.2 37.5 63.1 16.3 86 109 A E H X S+ 0 0 9 -4,-1.3 4,-0.8 -5,-0.3 12,-0.3 0.868 112.0 46.6 -69.8 -37.0 36.8 60.0 14.2 87 110 A L H >X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 3,-0.9 0.930 110.0 53.7 -65.2 -48.1 33.3 61.2 13.6 88 111 A G H 3X S+ 0 0 16 -4,-3.0 4,-3.0 1,-0.3 6,-0.3 0.929 101.9 59.4 -50.6 -50.1 34.6 64.7 12.8 89 112 A R H 3<>S+ 0 0 71 -4,-2.5 5,-2.0 1,-0.2 -1,-0.3 0.784 113.9 36.5 -51.8 -33.8 37.0 63.2 10.2 90 113 A W H X<5S+ 0 0 7 -3,-0.9 3,-1.2 -4,-0.8 -1,-0.2 0.836 113.9 55.3 -88.6 -37.3 34.0 61.7 8.3 91 114 A L H 3<5S+ 0 0 15 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.905 115.7 38.8 -60.4 -40.1 31.6 64.6 8.9 92 115 A Q T 3<5S- 0 0 124 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.232 110.2-120.8 -98.3 13.6 34.1 67.1 7.4 93 116 A E T < 5 + 0 0 141 -3,-1.2 -3,-0.2 -5,-0.2 -4,-0.1 0.855 56.7 167.4 52.1 37.3 35.2 64.7 4.7 94 117 A E > < - 0 0 91 -5,-2.0 3,-1.0 -6,-0.3 2,-0.2 -0.066 42.6 -67.9 -74.9 177.1 38.7 65.0 6.1 95 118 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.2 0, 0.0 -6,-0.0 -0.506 117.7 16.2 -66.3 131.7 41.8 62.8 5.4 96 119 A G T 3 S+ 0 0 56 -2,-0.2 -6,-0.1 1,-0.2 -7,-0.1 0.732 83.7 161.0 79.6 22.7 41.6 59.2 6.6 97 120 A A < - 0 0 35 -3,-1.0 2,-0.2 -8,-0.2 -1,-0.2 -0.380 45.7-104.3 -68.8 156.4 37.9 59.2 7.1 98 121 A F - 0 0 34 -12,-0.3 2,-0.9 -39,-0.1 -1,-0.1 -0.614 33.0-114.7 -79.9 146.3 36.3 55.8 7.3 99 122 A N + 0 0 99 -2,-0.2 3,-0.3 1,-0.2 4,-0.1 -0.717 42.0 163.3 -90.6 102.8 34.4 54.7 4.3 100 123 A W >> + 0 0 1 -2,-0.9 4,-2.2 1,-0.2 3,-1.3 0.405 45.1 108.7 -92.0 2.1 30.7 54.4 5.1 101 124 A S H 3> S+ 0 0 11 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.760 72.1 56.0 -59.3 -33.9 29.7 54.4 1.4 102 125 A M H 3> S+ 0 0 56 -3,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.878 112.1 45.3 -62.0 -36.4 28.7 50.7 1.3 103 126 A Y H <> S+ 0 0 7 -3,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.902 112.3 50.3 -74.5 -41.9 26.3 51.4 4.2 104 127 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.941 110.7 50.8 -57.6 -48.4 25.0 54.6 2.5 105 128 A Q H X S+ 0 0 9 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.916 111.0 48.2 -56.2 -46.2 24.5 52.6 -0.7 106 129 A H H X S+ 0 0 16 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.888 107.8 52.9 -67.9 -38.6 22.5 49.9 1.1 107 130 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.946 110.7 48.3 -59.2 -45.1 20.3 52.3 3.0 108 131 A C H X>S+ 0 0 1 -4,-2.3 4,-1.1 1,-0.2 5,-0.7 0.921 111.7 51.6 -60.6 -40.1 19.4 53.9 -0.3 109 132 A L H <5S+ 0 0 19 -4,-2.2 3,-0.3 -5,-0.2 -2,-0.2 0.958 114.1 42.4 -56.5 -54.4 18.8 50.4 -1.7 110 133 A I H <5S+ 0 0 53 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.878 111.2 50.9 -64.7 -46.4 16.5 49.5 1.2 111 134 A E H <5S- 0 0 33 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.733 95.0-153.1 -68.1 -19.6 14.4 52.7 1.5 112 135 A G T <5 + 0 0 54 -4,-1.1 -3,-0.1 -5,-0.3 -2,-0.1 0.895 51.9 128.9 49.6 54.9 13.9 52.2 -2.2 113 136 A K S - 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