==== 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 3KPW . 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) . 20560.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 9.1 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 . 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 . 36 6.8 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 . 147 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 0 0 0 0 0 2 1 8 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 94 0, 0.0 3,-0.1 0, 0.0 205,-0.0 0.000 360.0 360.0 360.0 -83.2 35.1 52.8 32.1 2 25 A S > + 0 0 101 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.706 360.0 68.2 -73.6 -23.6 38.9 52.9 32.1 3 26 A A G > S+ 0 0 37 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.874 90.1 61.6 -62.4 -35.6 38.8 50.0 29.7 4 27 A Y G 3 S+ 0 0 9 1,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.498 86.1 77.5 -70.8 -0.1 37.3 52.4 27.1 5 28 A Q G < S+ 0 0 129 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.744 96.3 44.1 -84.1 -21.1 40.5 54.3 27.3 6 29 A R S < S+ 0 0 169 -3,-1.6 198,-0.6 -4,-0.3 197,-0.5 0.481 83.0 133.6 -95.0 -4.6 42.3 51.8 25.2 7 30 A F - 0 0 6 -4,-0.4 195,-0.2 196,-0.2 75,-0.1 -0.274 44.6-154.5 -53.7 113.2 39.4 51.6 22.7 8 31 A E > - 0 0 80 193,-2.3 4,-2.2 1,-0.2 3,-0.4 -0.826 4.3-159.4 -95.1 103.0 40.8 51.7 19.1 9 32 A P H > S+ 0 0 14 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.855 91.9 50.5 -46.1 -46.1 38.1 53.1 16.7 10 33 A R H > S+ 0 0 119 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.892 110.8 49.2 -66.9 -35.5 39.8 51.7 13.6 11 34 A A H > S+ 0 0 16 -3,-0.4 4,-1.9 2,-0.2 191,-0.2 0.866 111.4 50.1 -68.8 -33.4 40.1 48.2 15.2 12 35 A Y H X S+ 0 0 9 -4,-2.2 4,-1.5 189,-0.2 5,-0.3 0.960 112.9 45.3 -69.1 -48.8 36.4 48.4 16.2 13 36 A L H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 3,-0.4 0.925 113.9 49.9 -55.1 -49.8 35.4 49.4 12.6 14 37 A R H X S+ 0 0 181 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.886 112.3 48.8 -54.5 -41.3 37.6 46.7 11.2 15 38 A N H < S+ 0 0 27 -4,-1.9 -1,-0.2 -5,-0.2 6,-0.2 0.729 128.9 17.5 -73.5 -27.6 36.1 44.1 13.6 16 39 A N H < S+ 0 0 21 -4,-1.5 -2,-0.2 -3,-0.4 -3,-0.2 0.548 128.5 39.3-124.8 -13.0 32.5 44.9 12.9 17 40 A Y H < S+ 0 0 10 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.208 101.5 70.0-136.6 11.5 32.1 46.8 9.7 18 41 A A S >X S- 0 0 31 -4,-0.6 4,-1.1 -5,-0.3 3,-0.6 -0.872 94.5 -24.5-122.2 158.3 34.6 45.2 7.4 19 42 A P T 34 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.086 122.6 21.5 -44.9 144.4 34.3 41.6 5.9 20 43 A P T >4 S+ 0 0 67 0, 0.0 3,-1.9 0, 0.0 219,-0.1 -0.939 138.8 29.5 -81.5 -28.0 32.8 39.3 6.9 21 44 A R T <4 S+ 0 0 15 -3,-0.6 10,-0.5 1,-0.3 -5,-0.1 0.712 124.2 52.4 -62.8 -22.7 30.3 41.3 9.1 22 45 A G T 3< S+ 0 0 10 -4,-1.1 2,-0.8 -8,-0.2 -1,-0.3 0.365 76.8 113.8 -96.2 2.8 30.6 44.2 6.8 23 46 A D < - 0 0 73 -3,-1.9 3,-0.3 -5,-0.3 8,-0.2 -0.671 40.7-179.9 -74.1 112.2 29.8 42.2 3.6 24 47 A L + 0 0 8 -2,-0.8 -1,-0.2 1,-0.2 5,-0.1 0.590 60.4 85.3 -90.5 -7.7 26.6 43.7 2.6 25 48 A a S S+ 0 0 20 1,-0.1 359,-0.3 2,-0.1 -1,-0.2 0.868 77.3 69.7 -64.1 -39.9 26.1 41.6 -0.6 26 49 A N S > S- 0 0 78 -3,-0.3 3,-2.0 1,-0.1 -1,-0.1 -0.746 71.8-153.3 -87.1 116.2 24.4 38.7 1.3 27 50 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.667 90.0 67.4 -62.2 -20.7 20.9 39.7 2.5 28 51 A N T 3 S+ 0 0 123 4,-0.1 2,-0.1 5,-0.0 -3,-0.0 0.432 82.6 100.7 -83.4 0.7 21.2 37.1 5.3 29 52 A G S <> S- 0 0 6 -3,-2.0 4,-1.8 -6,-0.1 5,-0.1 -0.289 84.5-109.6 -81.5 170.5 24.0 39.0 7.1 30 53 A V H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.860 112.5 57.1 -67.5 -38.0 23.8 41.2 10.2 31 54 A G H > S+ 0 0 3 -10,-0.5 4,-2.6 -8,-0.2 5,-0.3 0.986 109.5 43.4 -57.3 -58.9 24.5 44.5 8.3 32 55 A P H > S+ 0 0 6 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.902 113.5 53.7 -53.8 -43.4 21.6 44.1 5.9 33 56 A W H X S+ 0 0 30 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.919 109.4 47.2 -58.4 -48.0 19.3 43.0 8.8 34 57 A K H X S+ 0 0 10 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.963 112.1 48.7 -59.2 -51.1 20.1 46.1 10.8 35 58 A L H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.861 110.3 54.2 -58.8 -32.5 19.6 48.5 7.8 36 59 A R H X S+ 0 0 71 -4,-2.2 4,-3.1 -5,-0.3 5,-0.3 0.941 106.3 49.4 -66.4 -47.1 16.3 46.7 7.2 37 60 A C H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.932 115.6 45.2 -57.2 -45.3 14.9 47.2 10.7 38 61 A L H X S+ 0 0 3 -4,-2.2 4,-2.2 -5,-0.2 5,-0.3 0.983 115.7 44.4 -62.8 -56.4 15.8 50.9 10.5 39 62 A A H X S+ 0 0 6 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.918 114.0 49.0 -54.9 -51.1 14.5 51.5 7.0 40 63 A Q H < S+ 0 0 78 -4,-3.1 4,-0.5 -5,-0.2 -1,-0.2 0.917 109.5 53.6 -56.9 -44.5 11.2 49.6 7.6 41 64 A T H ><>S+ 0 0 2 -4,-2.0 3,-1.2 -5,-0.3 5,-0.5 0.941 113.3 39.9 -60.3 -52.9 10.6 51.4 10.8 42 65 A F H ><5S+ 0 0 3 -4,-2.2 3,-2.1 1,-0.2 5,-0.3 0.813 104.7 68.3 -65.1 -29.9 10.9 54.9 9.4 43 66 A A T 3<5S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.629 85.4 71.7 -69.5 -8.7 9.0 53.9 6.2 44 67 A T T < 5S- 0 0 66 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.610 100.2-134.8 -75.7 -13.0 5.9 53.6 8.4 45 68 A G T < 5S+ 0 0 52 -3,-2.1 -2,-0.1 2,-0.1 -3,-0.1 0.698 78.8 107.3 63.0 21.3 5.8 57.4 8.7 46 69 A E < + 0 0 101 -5,-0.5 2,-0.7 1,-0.2 -4,-0.1 0.522 62.2 67.7-104.7 -5.8 5.2 57.0 12.4 47 70 A V S S+ 0 0 1 -5,-0.3 2,-0.3 -6,-0.2 -1,-0.2 -0.892 73.3 134.1-115.8 100.4 8.6 58.2 13.6 48 71 A S + 0 0 67 -2,-0.7 2,-0.3 105,-0.2 23,-0.1 -0.931 9.4 112.7-150.8 160.8 8.9 61.8 12.7 49 72 A G - 0 0 37 21,-0.9 23,-0.3 -2,-0.3 3,-0.1 -0.968 63.3 -86.3 156.2-172.7 9.9 65.2 14.1 50 73 A R S S+ 0 0 120 -2,-0.3 23,-2.6 1,-0.2 22,-0.4 0.758 99.3 40.5-102.7 -33.9 12.5 68.0 13.8 51 74 A T E +a 73 0A 6 21,-0.2 102,-1.3 20,-0.1 103,-0.8 -0.940 56.1 178.5-129.4 146.5 15.3 66.7 16.1 52 75 A L E -ab 74 154A 0 21,-2.3 23,-2.5 -2,-0.4 2,-0.4 -0.972 12.5-152.5-141.5 147.8 17.0 63.4 16.8 53 76 A I E -ab 75 155A 1 101,-1.7 103,-2.3 -2,-0.3 2,-0.6 -0.993 6.2-151.4-128.2 130.5 19.9 62.3 19.0 54 77 A D E > -ab 76 156A 0 21,-2.9 23,-0.8 -2,-0.4 2,-0.5 -0.899 18.7-148.8-100.5 118.8 22.1 59.3 18.4 55 78 A I T 3 S- 0 0 0 101,-2.9 103,-0.5 -2,-0.6 105,-0.1 -0.783 74.2 -1.7 -94.6 121.6 23.4 57.9 21.7 56 79 A G T 3 S+ 0 0 1 -2,-0.5 -1,-0.2 101,-0.1 22,-0.2 0.941 73.6 174.1 67.6 49.4 26.8 56.3 21.8 57 80 A S X - 0 0 0 20,-2.6 3,-1.4 -3,-0.5 21,-0.2 0.758 11.8-173.9 -57.5 -29.4 27.5 56.8 18.1 58 81 A G T 3 - 0 0 0 19,-0.5 -1,-0.2 1,-0.2 29,-0.2 -0.360 62.4 -42.4 55.5-142.7 31.0 55.5 18.3 59 82 A P T 3 S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.073 114.0 102.6-101.2 31.1 32.8 56.0 14.9 60 83 A T < + 0 0 0 -3,-1.4 27,-0.1 1,-0.1 40,-0.0 -0.909 38.7 174.8-123.6 145.7 29.8 54.8 12.9 61 84 A V >> + 0 0 0 -2,-0.3 3,-2.5 2,-0.1 4,-0.5 0.522 59.2 96.2-118.0 -10.8 27.1 56.5 10.8 62 85 A Y G >4 S+ 0 0 1 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.744 75.2 68.8 -54.6 -28.0 25.1 53.7 9.3 63 86 A Q G 34 S+ 0 0 1 1,-0.2 -1,-0.3 -6,-0.1 4,-0.1 0.492 102.6 43.6 -76.4 -2.4 22.6 53.9 12.0 64 87 A L G <> S+ 0 0 0 -3,-2.5 4,-3.0 2,-0.1 -1,-0.2 0.490 81.8 99.4-114.5 -7.2 21.3 57.2 10.8 65 88 A L T << S+ 0 0 0 -3,-0.8 4,-0.2 -4,-0.5 -2,-0.1 0.859 97.0 30.1 -53.5 -45.2 21.2 56.6 7.0 66 89 A S T >4 S+ 0 0 6 -4,-0.4 3,-0.9 1,-0.2 -1,-0.3 0.817 119.4 58.1 -80.7 -32.5 17.4 55.9 6.9 67 90 A A G >4 S+ 0 0 1 1,-0.2 3,-2.4 2,-0.1 4,-0.4 0.855 88.7 74.5 -63.0 -35.3 16.8 58.3 9.9 68 91 A C G 3< S+ 0 0 0 -4,-3.0 3,-0.4 1,-0.3 -1,-0.2 0.660 87.5 58.7 -64.9 -17.5 18.3 61.3 8.2 69 92 A S G < S+ 0 0 35 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.1 0.492 107.0 48.0 -89.5 -0.3 15.4 62.0 5.8 70 93 A H S < S+ 0 0 51 -3,-2.4 -21,-0.9 1,-0.2 2,-0.3 0.341 108.7 53.7-115.1 4.8 12.9 62.4 8.7 71 94 A F - 0 0 0 -3,-0.4 -1,-0.2 -4,-0.4 -21,-0.2 -0.945 53.1-168.2-148.0 121.1 14.9 64.8 11.0 72 95 A E S S+ 0 0 99 -22,-0.4 2,-0.6 -2,-0.3 -21,-0.2 0.744 82.6 48.7 -83.6 -25.5 16.4 68.1 10.1 73 96 A D E S+a 51 0A 13 -23,-2.6 -21,-2.3 55,-0.1 2,-0.5 -0.949 70.6 177.5-120.1 113.1 18.5 68.5 13.2 74 97 A I E -ac 52 128A 0 53,-2.5 55,-2.2 -2,-0.6 56,-1.0 -0.961 11.9-162.9-120.8 132.0 20.5 65.6 14.2 75 98 A T E -ac 53 130A 0 -23,-2.5 -21,-2.9 -2,-0.5 2,-0.3 -0.942 6.0-161.9-110.3 131.6 22.9 65.3 17.1 76 99 A M E -ac 54 131A 0 54,-2.8 56,-3.1 -2,-0.5 2,-0.3 -0.812 13.8-175.7-109.5 156.2 25.6 62.6 17.3 77 100 A T E + c 0 132A 0 -23,-0.8 -20,-2.6 -2,-0.3 -19,-0.5 -0.967 15.6 165.2-146.1 156.0 27.3 61.6 20.5 78 101 A D E - c 0 133A 0 54,-1.8 56,-0.7 -2,-0.3 6,-0.1 -0.913 37.4-129.1-165.8 160.7 30.0 59.5 22.1 79 102 A F S S+ 0 0 76 -2,-0.3 2,-0.4 54,-0.2 -1,-0.1 0.788 88.6 75.4 -74.0 -30.3 31.9 59.2 25.4 80 103 A L > - 0 0 9 1,-0.1 4,-2.0 -3,-0.1 5,-0.2 -0.709 64.8-151.7 -96.9 133.0 35.3 59.1 23.5 81 104 A E H > S+ 0 0 110 -2,-0.4 4,-2.6 2,-0.2 5,-0.2 0.918 100.4 56.0 -56.1 -47.4 37.2 62.0 22.0 82 105 A V H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.880 107.7 48.5 -59.2 -38.8 38.8 59.6 19.4 83 106 A N H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 110.9 50.0 -65.9 -41.6 35.4 58.4 18.3 84 107 A R H X S+ 0 0 43 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.876 110.4 51.2 -62.7 -36.1 34.2 62.0 18.0 85 108 A Q H X S+ 0 0 87 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.897 107.6 52.4 -67.0 -38.9 37.3 62.8 15.9 86 109 A E H X S+ 0 0 9 -4,-2.0 4,-1.1 1,-0.2 12,-0.3 0.877 107.2 52.1 -68.2 -36.8 36.7 59.8 13.7 87 110 A L H X S+ 0 0 2 -4,-2.0 4,-3.3 1,-0.2 3,-0.5 0.904 107.4 52.6 -60.4 -43.8 33.1 61.0 13.0 88 111 A G H X S+ 0 0 17 -4,-1.7 4,-2.8 1,-0.3 6,-0.5 0.868 100.5 61.6 -62.6 -37.7 34.4 64.4 12.0 89 112 A R H <>S+ 0 0 67 -4,-1.7 5,-1.4 1,-0.2 8,-0.3 0.879 114.8 34.8 -57.5 -35.5 36.8 62.8 9.6 90 113 A W H ><5S+ 0 0 8 -4,-1.1 3,-1.1 -3,-0.5 -2,-0.2 0.852 115.6 53.2 -85.8 -38.8 33.7 61.5 7.8 91 114 A L H 3<5S+ 0 0 18 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.895 117.2 39.6 -62.4 -35.0 31.4 64.4 8.4 92 115 A Q T 3<5S- 0 0 127 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.270 108.3-122.6 -95.2 8.8 34.0 66.8 6.9 93 116 A E T < 5 + 0 0 144 -3,-1.1 -3,-0.2 -5,-0.1 -4,-0.1 0.786 57.0 167.1 48.2 31.9 35.0 64.4 4.1 94 117 A E > < - 0 0 88 -5,-1.4 3,-1.2 -6,-0.5 2,-0.2 -0.030 41.3 -67.5 -68.9 173.4 38.5 64.7 5.6 95 118 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.400 114.8 11.8 -69.0 134.5 41.6 62.5 4.9 96 119 A G T 3 S+ 0 0 61 1,-0.2 -6,-0.1 -2,-0.2 3,-0.1 0.514 85.5 160.3 81.8 5.3 41.6 58.9 6.0 97 120 A A < - 0 0 30 -3,-1.2 -1,-0.2 -8,-0.3 2,-0.1 -0.141 49.1 -95.7 -53.1 151.8 37.9 58.9 6.8 98 121 A F - 0 0 32 -12,-0.3 2,-0.9 -39,-0.1 -1,-0.1 -0.470 36.7-120.3 -66.5 144.7 36.1 55.5 7.0 99 122 A N + 0 0 100 1,-0.1 3,-0.3 -2,-0.1 4,-0.1 -0.792 39.8 164.9 -95.0 100.4 34.4 54.5 3.8 100 123 A W >> + 0 0 3 -2,-0.9 4,-1.9 1,-0.2 3,-1.8 0.450 41.9 111.0 -90.8 0.1 30.6 54.1 4.5 101 124 A S H 3> S+ 0 0 14 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.785 70.8 58.6 -55.6 -34.2 29.6 54.1 0.9 102 125 A M H 3> S+ 0 0 58 -3,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.895 110.4 44.4 -57.3 -39.7 28.6 50.4 0.8 103 126 A Y H <> S+ 0 0 7 -3,-1.8 4,-3.1 2,-0.2 5,-0.2 0.907 111.9 51.6 -72.6 -46.3 26.1 51.1 3.6 104 127 A S H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.940 111.0 49.3 -47.4 -51.8 24.8 54.3 2.0 105 128 A Q H X S+ 0 0 5 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.905 112.6 47.3 -60.7 -41.3 24.2 52.3 -1.2 106 129 A H H X S+ 0 0 15 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.873 108.3 52.6 -72.6 -37.8 22.4 49.6 0.6 107 130 A A H X S+ 0 0 0 -4,-3.1 4,-3.0 2,-0.2 5,-0.2 0.922 111.7 49.4 -57.9 -43.5 20.2 52.0 2.6 108 131 A C H X>S+ 0 0 2 -4,-2.5 4,-1.7 -5,-0.2 5,-0.5 0.940 111.8 47.9 -60.1 -48.1 19.4 53.5 -0.8 109 132 A L H <5S+ 0 0 19 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.925 116.0 43.9 -53.3 -50.1 18.6 50.0 -2.2 110 133 A I H <5S+ 0 0 55 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.904 110.1 53.1 -68.0 -46.1 16.4 49.0 0.8 111 134 A E H <5S- 0 0 33 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.832 91.7-155.4 -64.1 -29.9 14.5 52.3 1.0 112 135 A G T <5 + 0 0 56 -4,-1.7 -3,-0.1 -5,-0.2 -4,-0.1 0.834 54.5 121.6 63.5 38.3 13.6 51.9 -2.7 113 136 A K S > - 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