==== 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 3KQQ . 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) . 20471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 9.3 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 . 36 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 12.3 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 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 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 . 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 0 111 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -44.7 35.1 52.1 32.6 2 25 A S G > + 0 0 97 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.685 360.0 78.4 -60.3 -18.3 38.8 52.8 32.2 3 26 A A G > S+ 0 0 34 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.835 82.4 63.1 -61.0 -31.6 38.9 50.0 29.6 4 27 A Y G < S+ 0 0 13 -3,-1.8 3,-0.4 1,-0.3 -1,-0.3 0.579 85.8 76.4 -71.5 -5.9 37.3 52.3 27.1 5 28 A Q G < S+ 0 0 138 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.711 96.5 45.3 -75.8 -19.2 40.5 54.3 27.4 6 29 A R S < S+ 0 0 175 -3,-1.7 198,-0.5 -4,-0.3 197,-0.4 0.459 84.4 133.7 -97.1 -3.3 42.3 51.7 25.3 7 30 A F - 0 0 8 -3,-0.4 195,-0.2 -4,-0.3 75,-0.1 -0.263 44.4-154.0 -57.6 117.2 39.5 51.6 22.7 8 31 A E > - 0 0 79 193,-2.0 4,-2.4 1,-0.2 5,-0.2 -0.835 4.9-160.4-100.4 105.3 40.8 51.7 19.1 9 32 A P H > S+ 0 0 15 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.866 91.5 49.3 -44.1 -52.1 38.2 53.1 16.7 10 33 A R H > S+ 0 0 122 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.927 111.6 48.1 -61.8 -44.8 39.8 51.7 13.6 11 34 A A H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.882 112.3 50.6 -63.0 -36.5 40.1 48.2 15.1 12 35 A Y H X S+ 0 0 8 -4,-2.4 4,-1.4 2,-0.2 5,-0.3 0.940 112.0 46.0 -65.4 -46.3 36.5 48.4 16.2 13 36 A L H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 5,-0.4 0.885 113.7 50.7 -62.5 -40.0 35.4 49.4 12.6 14 37 A R H X S+ 0 0 184 -4,-2.8 4,-0.8 -5,-0.2 -2,-0.2 0.927 111.8 45.8 -60.9 -48.9 37.6 46.7 11.2 15 38 A N H < S+ 0 0 29 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.707 129.2 22.8 -66.7 -26.2 36.1 44.0 13.5 16 39 A N H < S+ 0 0 20 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.668 127.7 34.8-119.7 -25.2 32.5 45.0 13.0 17 40 A Y H < S+ 0 0 12 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.353 102.5 70.6-125.9 6.1 32.1 46.9 9.7 18 41 A A S >X S- 0 0 29 -4,-0.8 4,-1.3 -5,-0.4 3,-0.6 -0.771 94.1 -27.9-109.7 162.4 34.5 45.3 7.4 19 42 A P T 34 S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.148 121.1 24.7 -47.5 145.6 34.1 41.7 5.9 20 43 A P T >4 S+ 0 0 65 0, 0.0 3,-1.2 0, 0.0 219,-0.1 -0.956 140.4 27.4 -80.8 -24.0 32.8 39.2 6.9 21 44 A R T <4 S+ 0 0 14 -3,-0.6 10,-0.5 1,-0.3 -5,-0.1 0.743 124.4 54.6 -68.8 -20.8 30.4 41.2 9.1 22 45 A G T 3< S+ 0 0 10 -4,-1.3 2,-0.6 -8,-0.2 -1,-0.3 0.483 76.0 111.3 -91.6 -5.1 30.7 44.1 6.7 23 46 A D < + 0 0 75 -3,-1.2 3,-0.3 -5,-0.2 8,-0.2 -0.611 40.1 179.3 -72.0 115.2 29.8 42.2 3.5 24 47 A L + 0 0 10 -2,-0.6 -1,-0.2 1,-0.2 5,-0.1 0.581 61.7 87.0 -93.7 -7.9 26.4 43.7 2.6 25 48 A a S S+ 0 0 20 1,-0.1 359,-0.3 -3,-0.1 -1,-0.2 0.844 77.0 69.9 -61.2 -37.3 26.1 41.6 -0.5 26 49 A N S > S- 0 0 70 -3,-0.3 3,-1.6 1,-0.1 -1,-0.1 -0.768 71.2-152.4 -92.2 121.2 24.4 38.7 1.3 27 50 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.662 90.7 65.3 -62.0 -21.1 20.9 39.5 2.6 28 51 A N T 3 S+ 0 0 123 4,-0.1 2,-0.1 5,-0.0 -4,-0.0 0.466 83.0 99.4 -85.8 -4.6 21.3 37.0 5.4 29 52 A G S <> S- 0 0 7 -3,-1.6 4,-2.0 -6,-0.1 5,-0.1 -0.350 83.2-109.8 -85.2 167.0 24.0 38.9 7.3 30 53 A V H > S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.858 111.5 58.2 -63.6 -39.2 23.8 41.2 10.3 31 54 A G H > S+ 0 0 4 -10,-0.5 4,-2.4 -8,-0.2 5,-0.2 0.966 109.7 42.0 -56.9 -57.6 24.6 44.4 8.4 32 55 A P H > S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.907 113.2 56.0 -56.1 -43.0 21.7 44.1 6.0 33 56 A W H X S+ 0 0 30 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.914 109.2 44.8 -55.3 -51.1 19.4 43.0 8.9 34 57 A K H X S+ 0 0 10 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.952 114.2 48.6 -58.8 -49.7 20.1 46.1 10.9 35 58 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.884 110.7 52.7 -58.1 -38.3 19.7 48.4 7.9 36 59 A R H X S+ 0 0 72 -4,-2.7 4,-3.0 -5,-0.2 5,-0.3 0.946 108.8 48.9 -63.3 -48.8 16.4 46.6 7.1 37 60 A C H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.927 113.9 46.3 -55.9 -48.8 15.1 47.2 10.6 38 61 A L H X S+ 0 0 4 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.954 116.1 44.5 -60.6 -49.9 16.0 50.8 10.6 39 62 A A H X S+ 0 0 6 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.914 111.8 50.6 -63.0 -48.7 14.5 51.4 7.1 40 63 A Q H < S+ 0 0 81 -4,-3.0 4,-0.5 -5,-0.2 3,-0.2 0.936 109.5 52.4 -56.0 -46.8 11.3 49.5 7.6 41 64 A T H >< S+ 0 0 2 -4,-2.0 3,-1.1 -5,-0.3 5,-0.4 0.907 112.1 43.7 -58.3 -46.7 10.6 51.4 10.8 42 65 A F H >< S+ 0 0 4 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.756 102.8 66.6 -72.1 -23.0 11.0 54.8 9.3 43 66 A A T 3< S+ 0 0 84 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.594 86.7 73.2 -74.9 -8.3 9.0 53.9 6.2 44 67 A T T < S- 0 0 61 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.761 97.6-135.7 -72.8 -26.7 6.0 53.6 8.5 45 68 A G S < S+ 0 0 48 -3,-1.2 -3,-0.1 -4,-0.3 -2,-0.1 0.417 78.6 105.3 82.8 0.6 5.8 57.4 8.8 46 69 A E + 0 0 96 -5,-0.4 2,-0.7 1,-0.2 -4,-0.1 0.527 63.6 67.7 -94.9 -4.9 5.3 57.1 12.6 47 70 A V S S+ 0 0 2 -6,-0.2 2,-0.3 -5,-0.2 -1,-0.2 -0.862 74.8 132.6-115.3 96.6 8.7 58.2 13.7 48 71 A S + 0 0 68 -2,-0.7 2,-0.3 105,-0.1 23,-0.1 -0.891 10.2 101.9-145.2 165.5 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 -0.934 65.9 -78.2 146.9-169.5 9.9 65.3 14.0 50 73 A R S S+ 0 0 121 -2,-0.3 23,-2.7 21,-0.2 22,-0.4 0.869 98.9 42.1 -97.6 -45.8 12.6 67.9 13.9 51 74 A T E +a 73 0A 5 21,-0.2 102,-1.2 20,-0.1 103,-0.9 -0.852 55.5 175.5-116.7 145.9 15.4 66.8 16.3 52 75 A L E -ab 74 154A 0 21,-2.0 23,-2.5 -2,-0.4 2,-0.4 -0.993 12.8-154.1-143.5 144.0 17.0 63.4 16.9 53 76 A I E -ab 75 155A 1 101,-1.8 103,-2.5 -2,-0.3 2,-0.7 -0.987 6.9-150.3-126.4 135.1 19.9 62.2 19.0 54 77 A D E > -ab 76 156A 0 21,-2.6 23,-1.3 -2,-0.4 3,-0.5 -0.898 19.5-145.4-102.4 111.3 22.1 59.2 18.5 55 78 A I E 3 S- b 0 157A 0 101,-3.0 103,-0.6 -2,-0.7 106,-0.1 -0.675 75.7 -5.0 -83.8 122.5 23.4 57.9 21.9 56 79 A G T 3 S+ 0 0 2 -2,-0.5 102,-0.3 101,-0.1 22,-0.3 0.970 72.7 176.2 60.4 60.6 26.9 56.4 21.8 57 80 A S X - 0 0 0 20,-4.0 3,-1.7 -3,-0.5 21,-0.2 0.694 12.3-171.5 -66.9 -24.3 27.5 56.7 18.1 58 81 A G T 3 - 0 0 0 19,-0.5 -1,-0.2 1,-0.2 29,-0.1 -0.283 62.4 -41.1 53.6-145.5 31.1 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 0.119 115.3 102.9 -93.2 20.7 32.9 55.9 15.0 60 83 A T < + 0 0 0 -3,-1.7 27,-0.0 1,-0.1 40,-0.0 -0.786 38.3 172.6-115.2 151.5 29.8 54.7 13.0 61 84 A V > + 0 0 1 -2,-0.3 3,-2.2 2,-0.0 4,-0.4 0.477 57.0 98.8-125.6 -9.2 27.1 56.5 11.0 62 85 A Y G > S+ 0 0 2 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.784 74.2 69.0 -53.4 -31.2 25.2 53.6 9.4 63 86 A Q G 3 S+ 0 0 2 1,-0.2 -1,-0.3 -6,-0.1 4,-0.1 0.404 101.5 45.0 -75.2 3.5 22.5 53.9 12.1 64 87 A L G <> S+ 0 0 0 -3,-2.2 4,-2.4 2,-0.1 -1,-0.2 0.399 80.6 98.5-121.0 -0.9 21.3 57.3 10.7 65 88 A L T <4 S+ 0 0 0 -3,-1.2 4,-0.2 -4,-0.4 -2,-0.1 0.921 96.0 32.0 -57.6 -50.6 21.1 56.6 7.0 66 89 A S T >4 S+ 0 0 6 -4,-0.4 3,-0.8 1,-0.2 -1,-0.2 0.804 119.1 57.1 -73.8 -31.3 17.4 56.0 6.8 67 90 A A G >4 S+ 0 0 1 1,-0.2 3,-2.3 2,-0.1 4,-0.4 0.806 86.1 78.0 -69.2 -31.4 16.8 58.4 9.7 68 91 A C G 3< S+ 0 0 0 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.624 87.7 57.1 -65.2 -13.8 18.3 61.4 8.1 69 92 A S G < S+ 0 0 36 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.1 0.332 106.0 49.9 -97.6 7.3 15.4 62.2 5.9 70 93 A H S < S+ 0 0 49 -3,-2.3 -21,-0.9 1,-0.2 2,-0.3 0.343 110.4 48.8-119.5 1.1 12.9 62.5 8.7 71 94 A F - 0 0 0 -4,-0.4 -1,-0.2 -3,-0.3 -21,-0.2 -0.958 53.1-168.8-147.6 124.3 14.9 64.8 11.0 72 95 A E S S+ 0 0 101 -22,-0.4 2,-0.6 -2,-0.3 -21,-0.2 0.702 82.2 54.0 -87.4 -21.8 16.5 68.1 10.0 73 96 A D E S+a 51 0A 16 -23,-2.7 -21,-2.0 55,-0.1 2,-0.4 -0.948 70.1 177.6-117.9 113.4 18.5 68.5 13.2 74 97 A I E -ac 52 128A 0 53,-2.7 55,-2.3 -2,-0.6 56,-1.1 -0.954 12.0-165.1-121.7 133.7 20.6 65.6 14.2 75 98 A T E -ac 53 130A 1 -23,-2.5 -21,-2.6 -2,-0.4 2,-0.3 -0.969 5.8-162.5-118.8 124.7 22.9 65.3 17.1 76 99 A M E -ac 54 131A 1 54,-2.7 56,-3.0 -2,-0.5 2,-0.3 -0.823 13.1-172.3-106.4 149.4 25.6 62.6 17.4 77 100 A T E + c 0 132A 0 -23,-1.3 -20,-4.0 -2,-0.3 -19,-0.5 -0.959 15.7 163.3-139.3 154.7 27.3 61.6 20.6 78 101 A D E - c 0 133A 0 54,-2.0 56,-0.5 -2,-0.3 6,-0.0 -0.948 36.2-131.4-163.3 161.1 30.0 59.5 22.1 79 102 A F S S+ 0 0 82 -2,-0.3 2,-0.4 54,-0.2 -1,-0.1 0.792 87.3 72.6 -80.1 -31.7 31.9 59.2 25.4 80 103 A L > - 0 0 11 1,-0.1 4,-1.8 53,-0.1 5,-0.2 -0.715 67.4-147.5 -94.3 135.2 35.4 59.0 23.7 81 104 A E H > S+ 0 0 100 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.918 100.3 58.2 -54.4 -48.6 37.2 61.9 22.0 82 105 A V H > S+ 0 0 59 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.880 105.5 49.1 -56.9 -42.8 38.8 59.5 19.5 83 106 A N H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.932 111.4 48.7 -59.9 -48.1 35.4 58.4 18.3 84 107 A R H X S+ 0 0 45 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.884 111.6 50.7 -59.8 -39.0 34.2 61.9 17.9 85 108 A Q H X S+ 0 0 95 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.940 109.0 50.9 -62.4 -45.1 37.4 62.8 16.0 86 109 A E H X S+ 0 0 7 -4,-2.6 4,-1.1 1,-0.2 12,-0.3 0.896 109.5 51.0 -60.8 -41.3 36.8 59.8 13.8 87 110 A L H >X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 3,-0.7 0.929 105.2 56.0 -59.1 -48.6 33.2 61.0 13.1 88 111 A G H 3X S+ 0 0 19 -4,-2.3 4,-2.8 1,-0.3 6,-0.4 0.911 100.2 60.3 -50.9 -45.9 34.4 64.5 12.2 89 112 A R H 3<>S+ 0 0 70 -4,-1.9 5,-2.3 1,-0.2 8,-0.3 0.874 112.3 37.8 -52.1 -41.4 36.7 62.9 9.6 90 113 A W H X<5S+ 0 0 8 -4,-1.1 3,-1.3 -3,-0.7 -2,-0.2 0.913 114.4 53.0 -78.2 -43.4 33.7 61.5 7.8 91 114 A L H 3<5S+ 0 0 17 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.854 117.5 39.0 -58.6 -33.6 31.3 64.4 8.3 92 115 A Q T 3<5S- 0 0 120 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.329 107.1-123.0 -99.4 5.6 33.9 66.8 6.9 93 116 A E T < 5 + 0 0 142 -3,-1.3 -3,-0.2 -5,-0.2 -4,-0.1 0.855 55.5 166.5 50.4 35.5 35.1 64.4 4.1 94 117 A E > < - 0 0 93 -5,-2.3 3,-1.1 -6,-0.4 -1,-0.1 -0.198 42.9 -72.7 -72.3 170.6 38.5 64.8 5.6 95 118 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.372 113.7 17.8 -70.6 143.8 41.4 62.4 4.7 96 119 A G T 3 S+ 0 0 57 1,-0.2 -6,-0.1 -3,-0.1 3,-0.1 0.496 84.3 161.0 78.6 3.5 41.5 58.9 5.9 97 120 A A < - 0 0 29 -3,-1.1 -1,-0.2 -8,-0.3 2,-0.1 -0.160 49.6 -98.6 -51.9 147.6 37.8 58.9 6.8 98 121 A F - 0 0 35 -12,-0.3 2,-0.8 -39,-0.1 -1,-0.1 -0.437 38.9-118.4 -64.0 148.4 36.2 55.5 7.1 99 122 A N + 0 0 100 1,-0.1 3,-0.3 -3,-0.1 4,-0.1 -0.823 41.1 164.0 -99.9 104.2 34.4 54.5 3.9 100 123 A W >> + 0 0 2 -2,-0.8 4,-2.0 1,-0.2 3,-1.6 0.407 42.3 110.8 -93.7 -0.2 30.6 54.1 4.5 101 124 A S H 3> S+ 0 0 13 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.798 72.8 57.4 -52.5 -39.9 29.6 54.2 0.8 102 125 A M H 3> S+ 0 0 61 -3,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.878 110.7 44.4 -53.7 -42.1 28.6 50.5 0.7 103 126 A Y H <> S+ 0 0 7 -3,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.875 112.1 50.8 -73.3 -42.2 26.1 51.1 3.6 104 127 A S H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.943 111.5 50.4 -56.5 -49.7 24.7 54.3 2.1 105 128 A Q H X S+ 0 0 5 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.909 111.0 47.4 -54.6 -46.4 24.3 52.4 -1.1 106 129 A H H X S+ 0 0 14 -4,-1.8 4,-3.2 1,-0.2 -1,-0.2 0.849 108.8 53.4 -71.6 -33.2 22.5 49.5 0.6 107 130 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.855 109.5 49.6 -64.6 -36.5 20.2 51.9 2.5 108 131 A C H X>S+ 0 0 1 -4,-2.1 4,-1.7 -5,-0.2 5,-0.5 0.903 112.5 49.2 -66.1 -39.4 19.3 53.4 -0.8 109 132 A L H <5S+ 0 0 18 -4,-2.2 -2,-0.2 -5,-0.2 273,-0.2 0.961 115.5 41.2 -60.6 -53.8 18.7 49.9 -2.1 110 133 A I H <5S+ 0 0 57 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.925 112.3 53.1 -64.4 -48.9 16.5 48.9 0.8 111 134 A E H <5S- 0 0 35 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.868 91.5-156.9 -57.0 -38.3 14.5 52.1 1.1 112 135 A G T <5 + 0 0 54 -4,-1.7 -3,-0.1 -5,-0.2 -4,-0.1 0.875 51.0 125.0 66.4 42.8 13.7 51.8 -2.6 113 136 A K S > - 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