==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-MAY-09 3HCD . 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) . 20580.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 382 72.5 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 . 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 . 33 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 13.1 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 1 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 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 . 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 96 0, 0.0 3,-2.6 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -46.6 34.8 51.9 32.4 2 25 A S G > + 0 0 101 1,-0.3 3,-1.3 2,-0.2 4,-0.1 0.636 360.0 76.2 -60.6 -14.2 38.5 52.8 32.4 3 26 A A G > S+ 0 0 41 1,-0.2 3,-1.4 2,-0.1 -1,-0.3 0.804 84.2 65.6 -61.5 -29.6 38.8 49.8 30.1 4 27 A Y G X S+ 0 0 11 -3,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.612 79.8 79.8 -67.4 -12.5 37.3 52.2 27.5 5 28 A Q G < S+ 0 0 128 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.533 97.5 43.2 -76.8 -4.0 40.5 54.3 27.8 6 29 A R G < S+ 0 0 164 -3,-1.4 198,-0.9 -4,-0.1 197,-0.4 0.341 82.3 132.8-117.9 2.4 42.2 51.8 25.5 7 30 A F < - 0 0 8 -3,-1.0 195,-0.2 196,-0.2 75,-0.1 -0.375 44.1-154.1 -56.2 120.8 39.3 51.5 23.0 8 31 A E >> - 0 0 76 193,-2.2 4,-2.5 -2,-0.2 3,-0.7 -0.880 7.1-159.5-106.6 105.8 40.6 51.8 19.5 9 32 A P H 3> S+ 0 0 14 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.874 91.2 54.0 -47.1 -48.2 37.9 53.1 16.9 10 33 A R H 3> S+ 0 0 120 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.869 111.7 44.5 -62.1 -35.9 39.8 51.7 13.9 11 34 A A H <> S+ 0 0 16 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.890 113.4 50.4 -74.1 -38.5 39.9 48.2 15.4 12 35 A Y H X S+ 0 0 10 -4,-2.5 4,-1.6 189,-0.2 5,-0.3 0.973 112.7 45.7 -62.2 -52.8 36.3 48.3 16.5 13 36 A L H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 3,-0.4 0.917 114.7 49.3 -54.0 -45.4 35.1 49.5 13.0 14 37 A R H X S+ 0 0 176 -4,-2.0 4,-0.6 -5,-0.3 -1,-0.2 0.832 110.8 49.6 -64.9 -33.4 37.3 46.8 11.4 15 38 A N H < S+ 0 0 27 -4,-2.1 -1,-0.2 -3,-0.3 6,-0.2 0.772 128.9 18.5 -76.6 -27.1 36.0 44.1 13.7 16 39 A N H < S+ 0 0 18 -4,-1.6 -2,-0.2 -3,-0.4 -3,-0.2 0.498 129.0 38.7-126.4 -10.5 32.4 44.9 13.2 17 40 A Y H < S+ 0 0 6 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.310 101.1 69.9-134.0 8.4 31.9 46.9 10.0 18 41 A A S X S- 0 0 27 -4,-0.6 4,-1.8 -5,-0.3 3,-0.4 -0.768 94.6 -26.6-116.3 167.8 34.5 45.4 7.6 19 42 A P T 4 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.217 121.4 25.6 -61.0 153.0 34.1 41.9 6.1 20 43 A P T >4 S+ 0 0 54 0, 0.0 3,-1.7 0, 0.0 219,-0.1 -0.898 140.9 25.4 -74.7 -33.0 32.7 39.4 6.9 21 44 A R T 34 S+ 0 0 16 -3,-0.4 10,-0.5 1,-0.3 -5,-0.1 0.777 128.1 50.3 -64.5 -24.6 30.2 41.3 9.1 22 45 A G T 3< S+ 0 0 7 -4,-1.8 2,-0.9 -8,-0.2 -1,-0.3 0.381 81.6 99.4 -95.1 0.2 30.7 44.4 6.9 23 46 A D X - 0 0 86 -3,-1.7 3,-0.6 -5,-0.3 8,-0.1 -0.806 53.0-174.9 -84.9 103.8 30.2 42.6 3.6 24 47 A L T 3 + 0 0 2 -2,-0.9 -1,-0.1 1,-0.2 5,-0.1 0.408 56.0 97.7 -88.3 4.7 26.5 43.5 2.9 25 48 A a T 3 + 0 0 22 3,-0.1 359,-0.2 2,-0.1 -1,-0.2 0.880 69.4 72.0 -61.9 -42.4 26.1 41.4 -0.2 26 49 A N S X S- 0 0 90 -3,-0.6 3,-1.5 1,-0.1 -1,-0.0 -0.707 72.7-152.4 -80.4 119.7 24.4 38.6 1.7 27 50 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.718 91.5 65.7 -61.5 -26.5 20.9 39.6 2.8 28 51 A N T 3 S+ 0 0 125 4,-0.1 2,-0.1 5,-0.0 -3,-0.1 0.414 82.4 108.0 -81.2 3.0 21.1 37.1 5.7 29 52 A G S <> S- 0 0 10 -3,-1.5 4,-1.8 -5,-0.1 5,-0.1 -0.290 81.8-112.2 -81.6 167.5 23.8 39.1 7.4 30 53 A V H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.854 112.1 55.9 -67.8 -35.5 23.7 41.2 10.5 31 54 A G H > S+ 0 0 0 -10,-0.5 4,-2.8 2,-0.2 5,-0.2 0.977 108.8 43.7 -61.3 -59.2 24.3 44.5 8.7 32 55 A P H > S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.894 114.2 54.3 -52.5 -40.7 21.4 44.2 6.2 33 56 A W H X S+ 0 0 32 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.961 109.4 44.5 -59.0 -54.3 19.2 43.1 9.1 34 57 A K H X S+ 0 0 7 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.944 114.8 50.1 -56.1 -45.6 20.0 46.1 11.3 35 58 A L H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.891 109.8 50.8 -63.4 -39.1 19.5 48.4 8.3 36 59 A R H X S+ 0 0 72 -4,-2.6 4,-3.1 -5,-0.2 5,-0.3 0.902 106.9 52.8 -63.8 -44.5 16.1 46.8 7.4 37 60 A C H X S+ 0 0 3 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.934 114.1 43.5 -56.3 -47.8 14.8 47.2 11.0 38 61 A L H X S+ 0 0 3 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.916 115.9 47.5 -64.1 -44.8 15.6 50.9 10.9 39 62 A A H X S+ 0 0 7 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.950 112.6 47.9 -64.5 -50.4 14.3 51.4 7.4 40 63 A Q H X S+ 0 0 92 -4,-3.1 4,-0.5 2,-0.2 -1,-0.2 0.864 112.1 51.5 -54.9 -39.2 11.0 49.6 8.0 41 64 A T H ><>S+ 0 0 3 -4,-1.8 3,-1.0 -5,-0.3 5,-0.5 0.950 113.3 41.6 -68.4 -49.9 10.5 51.5 11.2 42 65 A F H ><5S+ 0 0 3 -4,-2.3 3,-1.4 1,-0.2 5,-0.3 0.831 107.1 64.1 -64.3 -30.7 11.0 55.0 9.7 43 66 A A H 3<5S+ 0 0 81 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.617 87.0 71.1 -73.2 -14.0 9.0 54.0 6.7 44 67 A T T <<5S- 0 0 61 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.775 98.1-139.4 -66.2 -29.7 5.9 53.6 8.9 45 68 A G T < 5S+ 0 0 48 -3,-1.4 -2,-0.1 -4,-0.4 -3,-0.1 0.631 76.9 106.6 77.9 13.0 5.9 57.3 9.2 46 69 A E < + 0 0 100 -5,-0.5 2,-0.8 1,-0.2 -4,-0.1 0.529 65.6 68.8 -98.1 -9.5 5.1 57.1 12.8 47 70 A V S S+ 0 0 1 -6,-0.3 2,-0.3 -5,-0.3 -2,-0.2 -0.886 73.8 126.4-111.0 98.7 8.5 58.1 13.9 48 71 A S + 0 0 65 -2,-0.8 2,-0.3 105,-0.1 23,-0.1 -0.972 13.3 115.2-151.6 161.0 8.9 61.7 13.0 49 72 A G - 0 0 36 21,-1.2 23,-0.3 -2,-0.3 3,-0.1 -0.967 62.4 -86.7 168.1-159.0 9.9 65.0 14.4 50 73 A R S S+ 0 0 116 -2,-0.3 23,-2.6 1,-0.2 22,-0.4 0.715 98.9 42.5-113.3 -37.4 12.5 67.8 14.2 51 74 A T E +a 73 0A 7 21,-0.2 102,-1.5 20,-0.1 103,-0.7 -0.904 56.4 175.4-120.5 149.1 15.3 66.7 16.6 52 75 A L E -ab 74 154A 0 21,-2.2 23,-2.7 -2,-0.3 2,-0.4 -0.993 14.2-152.2-150.9 138.9 16.9 63.4 17.2 53 76 A I E -ab 75 155A 1 101,-1.8 103,-2.3 -2,-0.3 2,-0.7 -0.971 6.7-148.9-123.6 129.7 19.8 62.3 19.4 54 77 A D E > -ab 76 156A 0 21,-3.4 23,-0.9 -2,-0.4 3,-0.6 -0.887 18.6-148.6-101.4 112.2 22.1 59.3 18.8 55 78 A I E 3 S- b 0 157A 0 101,-2.6 103,-0.6 -2,-0.7 106,-0.1 -0.687 73.4 -4.1 -86.5 119.4 23.3 57.9 22.2 56 79 A G T 3 S+ 0 0 1 -2,-0.5 -1,-0.2 101,-0.1 102,-0.2 0.960 73.5 171.0 67.6 53.5 26.8 56.3 22.2 57 80 A S X - 0 0 0 20,-3.4 3,-1.6 -3,-0.6 21,-0.2 0.784 11.6-178.0 -65.4 -30.0 27.5 56.7 18.5 58 81 A G T 3 - 0 0 0 19,-0.7 -1,-0.2 1,-0.2 29,-0.1 -0.309 64.9 -34.2 54.0-144.5 31.1 55.7 18.8 59 82 A P T 3 S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.000 114.8 100.7 -92.0 28.4 32.8 55.9 15.4 60 83 A T < + 0 0 0 -3,-1.6 27,-0.1 1,-0.1 26,-0.0 -0.925 37.7 173.5-128.0 146.0 29.7 54.8 13.4 61 84 A V >> + 0 0 0 -2,-0.3 3,-3.1 2,-0.1 4,-0.5 0.573 61.1 94.5-115.7 -17.1 27.0 56.5 11.3 62 85 A Y G >4 S+ 0 0 1 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.792 76.9 67.5 -53.0 -33.0 25.0 53.5 9.8 63 86 A Q G 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.621 106.1 41.8 -64.1 -10.9 22.5 53.7 12.7 64 87 A L G <> S+ 0 0 0 -3,-3.1 4,-2.7 2,-0.1 -1,-0.2 0.474 81.7 101.0-115.1 -3.9 21.3 57.1 11.3 65 88 A L T << S+ 0 0 0 -3,-1.0 4,-0.2 -4,-0.5 -2,-0.1 0.835 96.7 28.8 -52.2 -42.9 21.3 56.5 7.5 66 89 A S T >4 S+ 0 0 4 -4,-0.4 3,-0.6 1,-0.1 -1,-0.2 0.741 117.2 60.9 -89.9 -25.7 17.5 56.0 7.4 67 90 A A G >4 S+ 0 0 0 1,-0.2 3,-2.4 -4,-0.1 4,-0.5 0.882 88.2 72.5 -68.4 -35.8 16.8 58.3 10.3 68 91 A C G >< S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.3 -1,-0.2 0.724 87.8 60.4 -59.2 -26.5 18.3 61.4 8.7 69 92 A S G < S+ 0 0 32 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.1 0.467 108.3 46.0 -81.0 3.4 15.5 61.9 6.2 70 93 A H G < S+ 0 0 48 -3,-2.4 -21,-1.2 1,-0.2 2,-0.4 0.425 110.0 49.6-121.1 -5.0 13.0 62.3 9.1 71 94 A F < - 0 0 1 -3,-0.6 -1,-0.2 -4,-0.5 -21,-0.2 -0.984 54.8-165.6-141.1 125.3 14.8 64.7 11.4 72 95 A E S S+ 0 0 98 -22,-0.4 2,-0.6 -2,-0.4 -21,-0.2 0.707 82.8 52.8 -86.9 -19.5 16.4 67.9 10.5 73 96 A D E +a 51 0A 12 -23,-2.6 -21,-2.2 55,-0.1 2,-0.5 -0.938 69.1 175.0-118.8 110.8 18.4 68.3 13.7 74 97 A I E -ac 52 128A 0 53,-2.6 55,-1.5 -2,-0.6 56,-1.0 -0.960 12.8-163.5-122.0 127.0 20.5 65.4 14.7 75 98 A T E -ac 53 130A 1 -23,-2.7 -21,-3.4 -2,-0.5 2,-0.3 -0.910 6.1-161.1-106.5 129.3 22.9 65.2 17.6 76 99 A M E -ac 54 131A 0 54,-2.9 56,-3.2 -2,-0.5 2,-0.3 -0.753 14.4-174.7-104.4 155.3 25.5 62.5 17.8 77 100 A T E + c 0 132A 0 -23,-0.9 -20,-3.4 -2,-0.3 -19,-0.7 -0.993 14.7 166.6-147.7 154.2 27.3 61.6 21.0 78 101 A D E - c 0 133A 0 54,-2.1 56,-1.0 -2,-0.3 6,-0.0 -0.970 36.2-128.6-163.4 163.7 30.0 59.5 22.6 79 102 A F S S+ 0 0 77 -2,-0.3 2,-0.3 54,-0.2 -1,-0.1 0.852 89.4 66.2 -79.6 -36.3 31.9 59.1 25.8 80 103 A L > - 0 0 7 1,-0.1 4,-1.6 53,-0.1 3,-0.1 -0.630 68.0-146.0 -91.8 144.2 35.4 59.1 24.2 81 104 A E H > S+ 0 0 99 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.931 99.6 63.3 -65.4 -47.1 37.1 61.9 22.4 82 105 A V H > S+ 0 0 64 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.797 105.5 46.3 -51.5 -31.4 38.8 59.5 20.0 83 106 A N H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.934 109.6 51.4 -79.2 -46.1 35.4 58.5 18.7 84 107 A R H X S+ 0 0 42 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.904 112.3 48.8 -55.0 -39.9 34.0 62.0 18.4 85 108 A Q H X S+ 0 0 92 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.847 109.8 51.5 -66.9 -32.8 37.2 62.8 16.4 86 109 A E H X S+ 0 0 6 -4,-1.1 4,-0.7 -5,-0.3 12,-0.3 0.867 111.4 47.1 -74.6 -35.6 36.7 59.7 14.2 87 110 A L H >X S+ 0 0 2 -4,-2.8 4,-3.0 2,-0.2 3,-1.5 0.939 108.1 56.4 -63.6 -50.6 33.1 60.8 13.5 88 111 A G H 3X S+ 0 0 19 -4,-2.7 4,-2.5 1,-0.3 6,-0.4 0.866 100.7 59.3 -47.2 -42.6 34.4 64.3 12.8 89 112 A R H 3<>S+ 0 0 72 -4,-1.7 5,-0.9 1,-0.2 8,-0.3 0.777 112.7 37.2 -61.2 -30.1 36.7 62.8 10.1 90 113 A W H X<5S+ 0 0 8 -3,-1.5 3,-1.1 -4,-0.7 -2,-0.2 0.848 113.9 54.4 -90.3 -39.0 33.7 61.3 8.2 91 114 A L H 3<5S+ 0 0 16 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.912 116.4 38.7 -59.5 -40.4 31.3 64.2 8.8 92 115 A Q T 3<5S- 0 0 129 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.373 107.8-124.2 -92.1 6.3 33.8 66.7 7.3 93 116 A E T < 5 + 0 0 140 -3,-1.1 -3,-0.2 -5,-0.1 -4,-0.1 0.756 56.0 163.2 54.4 27.3 35.0 64.2 4.6 94 117 A E > < - 0 0 93 -5,-0.9 3,-0.9 -6,-0.4 2,-0.2 0.050 46.0 -70.6 -64.5 176.8 38.5 64.7 6.0 95 118 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.523 116.4 24.6 -73.1 141.3 41.4 62.4 5.3 96 119 A G T 3 S+ 0 0 55 1,-0.2 -6,-0.1 -2,-0.2 -7,-0.1 0.554 82.6 156.8 82.9 9.1 41.4 58.9 6.9 97 120 A A < - 0 0 35 -3,-0.9 -1,-0.2 -8,-0.3 2,-0.2 -0.304 48.5-104.9 -63.0 150.9 37.6 58.8 7.2 98 121 A F - 0 0 32 -12,-0.3 2,-1.0 -39,-0.1 -1,-0.1 -0.537 32.6-116.8 -73.5 142.0 36.0 55.4 7.4 99 122 A N + 0 0 108 -2,-0.2 3,-0.3 1,-0.2 4,-0.1 -0.728 42.4 162.8 -86.7 99.8 34.3 54.2 4.2 100 123 A W >> + 0 0 3 -2,-1.0 4,-2.1 1,-0.2 3,-1.4 0.393 41.2 113.0 -90.3 1.0 30.6 53.8 5.0 101 124 A S H 3> S+ 0 0 12 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.824 72.0 56.9 -51.6 -39.9 29.6 53.9 1.4 102 125 A M H 3> S+ 0 0 40 -3,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.893 109.5 45.1 -52.4 -44.7 28.5 50.2 1.5 103 126 A Y H <> S+ 0 0 4 -3,-1.4 4,-3.0 2,-0.2 -2,-0.2 0.935 113.3 50.5 -69.3 -43.0 26.0 50.9 4.3 104 127 A S H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.923 110.9 49.1 -56.5 -48.4 24.8 54.1 2.4 105 128 A Q H X S+ 0 0 11 -4,-3.1 4,-2.5 -5,-0.2 -1,-0.2 0.916 113.9 46.0 -59.1 -46.1 24.3 52.1 -0.8 106 129 A H H X S+ 0 0 14 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.892 108.8 53.9 -69.0 -39.7 22.3 49.4 1.1 107 130 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.933 112.9 45.1 -55.1 -46.0 20.2 51.8 3.0 108 131 A C H X>S+ 0 0 0 -4,-2.3 4,-1.4 -5,-0.2 5,-0.6 0.924 112.9 50.9 -64.0 -43.1 19.2 53.4 -0.3 109 132 A L H <5S+ 0 0 19 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.931 115.1 42.5 -55.8 -49.6 18.7 49.9 -1.8 110 133 A I H <5S+ 0 0 52 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.880 109.2 56.1 -68.9 -42.9 16.4 48.9 1.2 111 134 A E H <5S- 0 0 34 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.800 93.5-150.6 -65.2 -24.9 14.5 52.2 1.3 112 135 A G T <5 + 0 0 59 -4,-1.4 -3,-0.1 -5,-0.2 -1,-0.1 0.759 57.1 122.8 65.9 26.7 13.6 51.7 -2.3 113 136 A K S > - 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