==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-AUG-05 2AN4 . COMPND 2 MOLECULE: PHENYLETHANOLAMINE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.L.GEE,J.D.A.TYNDALL,G.L.GRUNEWALD,Q.WU,M.J.MCLEISH,J.L.MAR . 528 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 70.6 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 . 2 0.4 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 . 34 6.4 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 . 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 1 1 3 6 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 0 5 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 86 0, 0.0 4,-0.0 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0 -51.2 35.4 54.0 31.9 2 25 A S > + 0 0 92 2,-0.2 3,-1.3 1,-0.2 4,-0.2 0.864 360.0 52.9 -77.1 -40.2 39.0 52.8 32.5 3 26 A A G > S+ 0 0 34 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.893 103.4 58.8 -63.3 -39.0 38.7 49.8 30.2 4 27 A Y G > S+ 0 0 15 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.531 83.6 84.1 -68.9 -4.3 37.5 52.0 27.4 5 28 A Q G < S+ 0 0 126 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.720 92.9 45.0 -72.5 -18.4 40.7 54.1 27.6 6 29 A R G < S+ 0 0 160 -3,-1.5 198,-0.6 -4,-0.2 197,-0.4 0.350 84.0 135.9-103.8 5.7 42.4 51.6 25.4 7 30 A F < - 0 0 8 -3,-1.0 195,-0.2 196,-0.1 75,-0.1 -0.332 42.5-154.9 -58.6 120.5 39.5 51.5 22.9 8 31 A E >> - 0 0 80 193,-1.9 4,-2.4 -2,-0.2 3,-0.6 -0.864 6.1-163.1-104.9 104.9 40.7 51.6 19.3 9 32 A P H 3> S+ 0 0 14 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.877 91.8 51.9 -50.5 -45.8 38.0 53.0 16.9 10 33 A R H 3> S+ 0 0 119 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.848 111.3 47.5 -63.1 -34.2 39.7 51.6 13.8 11 34 A A H <> S+ 0 0 15 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.865 111.2 50.8 -75.0 -36.8 39.9 48.2 15.4 12 35 A Y H X S+ 0 0 9 -4,-2.4 4,-1.7 2,-0.2 5,-0.3 0.966 112.2 46.5 -63.7 -50.9 36.2 48.3 16.4 13 36 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 3,-0.2 0.909 113.3 49.8 -55.5 -46.1 35.2 49.3 12.9 14 37 A R H < S+ 0 0 183 -4,-1.9 4,-0.5 -5,-0.2 -1,-0.2 0.852 111.0 49.9 -62.4 -37.2 37.4 46.6 11.4 15 38 A N H < S+ 0 0 28 -4,-2.1 -1,-0.2 1,-0.1 6,-0.2 0.771 129.0 16.8 -73.8 -28.9 35.9 43.9 13.7 16 39 A N H < S+ 0 0 18 -4,-1.7 -2,-0.2 -3,-0.2 -3,-0.2 0.529 128.2 40.4-125.7 -8.8 32.3 44.7 13.1 17 40 A Y S < S+ 0 0 8 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.1 0.202 100.5 69.5-130.6 20.1 31.9 46.8 9.9 18 41 A A S > S- 0 0 27 -4,-0.5 4,-2.3 -5,-0.2 3,-0.5 -0.844 94.7 -25.3-126.9 160.7 34.4 45.2 7.5 19 42 A P T 4 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.167 122.4 24.5 -51.1 145.3 34.0 41.8 5.9 20 43 A P T >4 S+ 0 0 65 0, 0.0 3,-1.9 0, 0.0 219,-0.1 -0.928 142.0 23.9 -78.2 -32.5 32.6 39.3 6.9 21 44 A R T 34 S+ 0 0 10 -3,-0.5 10,-0.4 1,-0.3 -5,-0.1 0.825 128.2 52.5 -61.1 -28.1 30.1 41.2 9.0 22 45 A G T 3< S+ 0 0 3 -4,-2.3 2,-1.0 -8,-0.2 -1,-0.3 0.276 81.9 99.8 -91.2 9.1 30.7 44.2 6.8 23 46 A D X - 0 0 75 -3,-1.9 3,-0.5 -5,-0.3 8,-0.2 -0.858 50.8-177.8 -96.1 102.8 30.0 42.3 3.6 24 47 A L T 3 + 0 0 3 -2,-1.0 -1,-0.1 1,-0.2 5,-0.1 0.383 57.0 93.9 -85.5 5.3 26.5 43.5 2.9 25 48 A a T 3 S+ 0 0 21 1,-0.0 -1,-0.2 2,-0.0 360,-0.2 0.870 71.0 71.5 -66.3 -38.8 26.0 41.3 -0.2 26 49 A N S X S- 0 0 76 -3,-0.5 3,-1.9 1,-0.1 -1,-0.0 -0.718 73.6-149.9 -84.2 119.3 24.4 38.4 1.6 27 50 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.626 93.2 64.9 -61.3 -15.7 20.9 39.3 2.8 28 51 A N T 3 S+ 0 0 113 4,-0.1 -3,-0.0 5,-0.0 -4,-0.0 0.409 81.6 109.9 -89.3 1.6 21.2 36.9 5.8 29 52 A G S <> S- 0 0 6 -3,-1.9 4,-1.1 1,-0.1 -8,-0.1 -0.207 80.0-115.7 -73.6 168.4 24.0 38.9 7.3 30 53 A V H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.779 111.5 57.0 -73.8 -28.1 23.8 41.0 10.5 31 54 A G H > S+ 0 0 1 -10,-0.4 4,-2.4 2,-0.2 5,-0.3 0.969 107.3 45.0 -68.6 -54.3 24.4 44.3 8.6 32 55 A P H > S+ 0 0 7 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.848 112.8 55.1 -58.2 -32.4 21.4 43.9 6.2 33 56 A W H X S+ 0 0 26 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.938 108.8 45.0 -66.2 -49.2 19.3 42.9 9.2 34 57 A K H X S+ 0 0 10 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.899 114.6 47.9 -63.1 -41.8 20.0 46.0 11.2 35 58 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.872 110.1 54.0 -67.0 -34.7 19.5 48.4 8.3 36 59 A R H X S+ 0 0 73 -4,-1.8 4,-2.8 -5,-0.3 5,-0.3 0.938 108.1 49.5 -63.9 -46.6 16.3 46.6 7.4 37 60 A C H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.919 114.2 44.0 -58.7 -47.3 15.0 47.1 11.0 38 61 A L H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.921 115.1 49.2 -65.0 -44.0 15.8 50.8 11.0 39 62 A A H X S+ 0 0 8 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.913 111.9 46.5 -62.5 -47.7 14.4 51.3 7.5 40 63 A Q H X S+ 0 0 85 -4,-2.8 4,-0.7 2,-0.2 -1,-0.2 0.867 110.2 54.0 -65.2 -37.6 11.1 49.6 8.1 41 64 A T H >< S+ 0 0 2 -4,-1.8 3,-0.9 -5,-0.3 5,-0.5 0.950 113.8 40.6 -63.6 -48.2 10.5 51.4 11.4 42 65 A F H >< S+ 0 0 2 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.800 105.7 66.3 -69.4 -28.3 11.0 54.8 9.8 43 66 A A H 3< S+ 0 0 81 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.704 88.6 68.5 -66.2 -18.4 9.0 53.7 6.7 44 67 A T T << S- 0 0 64 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.737 98.8-138.1 -70.9 -23.8 5.9 53.5 9.0 45 68 A G S < S+ 0 0 46 -3,-1.5 -3,-0.1 -4,-0.3 -2,-0.1 0.481 75.9 110.8 78.3 2.2 6.0 57.2 9.4 46 69 A E + 0 0 101 -5,-0.5 2,-0.8 1,-0.2 -4,-0.1 0.712 64.7 66.6 -79.0 -24.4 5.2 56.9 13.1 47 70 A V S S+ 0 0 0 -6,-0.4 2,-0.3 -5,-0.2 -2,-0.2 -0.860 74.2 130.1-103.3 102.7 8.7 58.1 14.1 48 71 A S + 0 0 67 -2,-0.8 2,-0.3 105,-0.2 23,-0.1 -0.955 11.6 105.4-148.4 165.5 9.0 61.7 13.1 49 72 A G - 0 0 36 21,-1.0 23,-0.3 -2,-0.3 3,-0.1 -0.994 64.9 -78.6 159.4-157.9 9.9 65.2 14.4 50 73 A R S S+ 0 0 116 -2,-0.3 23,-2.8 1,-0.2 22,-0.4 0.774 99.4 39.4-109.4 -44.2 12.6 67.9 14.3 51 74 A T E +a 73 0A 7 21,-0.2 102,-1.3 20,-0.1 103,-0.9 -0.868 56.2 178.2-116.8 149.1 15.4 66.7 16.6 52 75 A L E -ab 74 154A 0 21,-2.3 23,-2.6 -2,-0.3 2,-0.4 -0.997 12.4-153.4-146.5 140.1 17.0 63.3 17.3 53 76 A I E -ab 75 155A 0 101,-2.3 103,-2.0 -2,-0.3 2,-0.6 -0.954 5.4-151.5-120.1 135.2 19.9 62.2 19.5 54 77 A D E > -ab 76 156A 0 21,-2.9 23,-0.9 -2,-0.4 2,-0.5 -0.927 18.0-144.7-106.3 117.1 22.1 59.2 19.0 55 78 A I E 3 S- b 0 157A 0 101,-2.7 103,-0.5 -2,-0.6 106,-0.1 -0.734 74.6 -5.7 -88.9 120.4 23.4 57.7 22.2 56 79 A G T 3 S+ 0 0 2 -2,-0.5 102,-0.3 101,-0.1 -1,-0.2 0.976 71.0 176.6 63.0 57.8 26.9 56.3 22.3 57 80 A S X - 0 0 0 20,-3.4 3,-1.8 -3,-0.5 21,-0.2 0.768 11.7-173.8 -62.9 -29.1 27.5 56.6 18.5 58 81 A G T 3 - 0 0 0 19,-0.7 -1,-0.2 1,-0.2 29,-0.1 -0.376 63.5 -40.7 60.8-147.8 31.1 55.4 18.9 59 82 A P T 3 S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.099 114.0 101.6 -99.5 26.9 32.7 55.7 15.5 60 83 A T < + 0 0 0 -3,-1.8 27,-0.1 1,-0.1 26,-0.0 -0.859 38.1 175.1-117.8 149.7 29.7 54.6 13.4 61 84 A V > + 0 0 0 -2,-0.3 3,-2.8 468,-0.1 4,-0.5 0.547 59.8 96.1-119.5 -14.4 27.0 56.3 11.3 62 85 A Y G > S+ 0 0 1 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.800 76.6 66.9 -47.6 -37.2 25.1 53.3 9.8 63 86 A Q G 3 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.564 104.7 43.6 -64.6 -8.5 22.5 53.5 12.6 64 87 A L G <> S+ 0 0 0 -3,-2.8 4,-3.1 2,-0.1 -1,-0.2 0.438 81.9 99.3-115.9 -1.6 21.4 57.0 11.3 65 88 A L T <4 S+ 0 0 0 -3,-1.2 4,-0.3 -4,-0.5 -2,-0.1 0.828 96.7 29.4 -55.3 -39.7 21.2 56.3 7.5 66 89 A S T 4 S+ 0 0 3 -4,-0.4 3,-0.3 2,-0.1 -1,-0.2 0.705 119.6 57.6 -92.1 -24.5 17.5 55.8 7.4 67 90 A A T >4 S+ 0 0 0 1,-0.2 3,-2.6 2,-0.1 4,-0.4 0.923 88.9 72.4 -71.3 -45.1 16.8 58.1 10.3 68 91 A C G >< S+ 0 0 0 -4,-3.1 3,-0.8 1,-0.3 -1,-0.2 0.721 88.0 60.8 -44.8 -35.7 18.4 61.2 8.9 69 92 A S G 3 S+ 0 0 31 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.436 105.8 50.5 -77.4 6.2 15.7 61.9 6.3 70 93 A H G < S+ 0 0 46 -3,-2.6 -21,-1.0 1,-0.2 2,-0.4 0.469 109.5 45.6-118.0 -8.5 13.1 62.2 9.2 71 94 A F < - 0 0 0 -3,-0.8 -1,-0.2 -4,-0.4 -21,-0.2 -0.987 55.9-163.1-140.9 128.3 14.8 64.7 11.5 72 95 A E S S+ 0 0 102 -22,-0.4 2,-0.6 -2,-0.4 -21,-0.2 0.737 82.5 56.1 -81.6 -25.8 16.6 67.9 10.5 73 96 A D E +a 51 0A 15 -23,-2.8 -21,-2.3 55,-0.1 2,-0.5 -0.910 69.4 178.2-113.2 108.2 18.6 68.3 13.8 74 97 A I E -ac 52 128A 0 53,-2.9 55,-1.7 -2,-0.6 56,-1.1 -0.930 11.9-166.0-116.4 128.1 20.8 65.4 14.6 75 98 A T E -ac 53 130A 1 -23,-2.6 -21,-2.9 -2,-0.5 2,-0.3 -0.931 5.7-164.1-111.0 125.3 23.1 65.1 17.6 76 99 A M E -ac 54 131A 0 54,-3.0 56,-2.8 -2,-0.5 2,-0.3 -0.817 14.2-172.0-105.2 148.4 25.7 62.4 17.7 77 100 A T E + c 0 132A 0 -23,-0.9 -20,-3.4 -2,-0.3 -19,-0.7 -0.946 15.6 165.1-142.1 162.1 27.4 61.4 21.0 78 101 A D - 0 0 0 54,-2.0 56,-0.5 -2,-0.3 6,-0.1 -0.899 37.0-131.0-173.7 147.5 30.1 59.4 22.6 79 102 A F S S+ 0 0 67 -2,-0.3 2,-0.4 54,-0.2 -1,-0.1 0.806 89.3 71.6 -67.7 -35.1 32.1 59.0 25.8 80 103 A L > - 0 0 10 1,-0.1 4,-2.0 53,-0.1 3,-0.4 -0.745 65.1-152.0 -96.9 132.8 35.5 58.9 24.0 81 104 A E H > S+ 0 0 105 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.911 99.6 60.0 -61.0 -43.1 37.2 61.9 22.3 82 105 A V H > S+ 0 0 65 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.846 106.6 47.3 -55.6 -35.2 39.0 59.5 19.9 83 106 A N H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.955 109.8 50.3 -71.0 -50.7 35.5 58.3 18.7 84 107 A R H X S+ 0 0 40 -4,-2.0 4,-1.8 1,-0.3 -2,-0.2 0.850 110.9 51.7 -55.4 -34.8 34.1 61.8 18.3 85 108 A Q H X S+ 0 0 91 -4,-2.4 4,-1.9 2,-0.2 -1,-0.3 0.894 108.9 49.9 -68.2 -39.6 37.3 62.6 16.3 86 109 A E H X S+ 0 0 6 -4,-1.6 4,-0.7 -5,-0.2 12,-0.3 0.902 109.3 51.2 -64.9 -42.1 36.7 59.5 14.1 87 110 A L H >X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 3,-0.8 0.880 108.3 54.1 -62.2 -36.9 33.1 60.7 13.5 88 111 A G H 3X S+ 0 0 15 -4,-1.8 4,-2.8 -5,-0.2 6,-0.3 0.896 98.8 60.8 -64.8 -40.7 34.5 64.0 12.5 89 112 A R H 3<>S+ 0 0 71 -4,-1.9 5,-1.3 1,-0.2 8,-0.3 0.722 112.7 39.0 -60.3 -21.0 36.8 62.6 9.9 90 113 A W H <<5S+ 0 0 9 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.816 113.3 51.5 -96.4 -38.5 33.7 61.2 8.1 91 114 A L H <5S+ 0 0 19 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.893 119.0 39.3 -64.6 -37.9 31.4 64.1 8.6 92 115 A Q T <5S- 0 0 118 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.515 106.8-127.9 -88.2 -6.9 34.1 66.5 7.2 93 116 A E T 5 + 0 0 136 -5,-0.3 -3,-0.2 -3,-0.2 -4,-0.1 0.877 52.2 165.4 60.7 35.4 35.1 63.9 4.6 94 117 A E > < - 0 0 94 -5,-1.3 3,-1.3 -6,-0.3 -1,-0.1 -0.143 45.9 -67.7 -74.9 174.7 38.7 64.4 5.9 95 118 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.403 118.3 19.4 -68.5 142.4 41.6 62.1 5.1 96 119 A G T 3 S+ 0 0 56 1,-0.2 -6,-0.1 -3,-0.1 3,-0.1 0.504 82.1 156.2 81.4 3.8 41.4 58.6 6.5 97 120 A A < - 0 0 29 -3,-1.3 -1,-0.2 -8,-0.3 2,-0.1 -0.253 50.9 -99.2 -60.5 153.1 37.6 58.6 7.2 98 121 A F - 0 0 29 -12,-0.3 2,-1.0 -39,-0.1 -1,-0.1 -0.465 33.9-117.8 -73.5 146.3 36.0 55.2 7.3 99 122 A N + 0 0 116 1,-0.1 3,-0.4 -2,-0.1 4,-0.1 -0.748 40.2 164.6 -93.0 102.5 34.2 54.1 4.2 100 123 A W >> + 0 0 2 -2,-1.0 4,-2.4 1,-0.2 3,-0.8 0.320 41.7 112.3 -95.1 6.9 30.5 53.6 4.9 101 124 A S H 3> S+ 0 0 18 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.810 72.3 56.3 -52.2 -36.3 29.5 53.6 1.2 102 125 A M H 3> S+ 0 0 35 -3,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.911 112.2 43.0 -64.9 -38.2 28.5 49.9 1.3 103 126 A Y H <> S+ 0 0 3 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.888 113.9 50.3 -73.1 -38.2 26.0 50.6 4.1 104 127 A S H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.921 112.4 48.6 -63.5 -44.4 24.7 53.8 2.5 105 128 A Q H X S+ 0 0 12 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.924 113.2 45.3 -61.5 -48.1 24.2 52.0 -0.7 106 129 A H H X S+ 0 0 12 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.821 108.9 56.5 -68.8 -29.5 22.3 49.1 0.9 107 130 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.900 109.4 47.0 -66.3 -39.2 20.3 51.5 3.0 108 131 A C H X>S+ 0 0 1 -4,-1.8 4,-1.3 2,-0.2 5,-0.6 0.870 110.4 53.1 -68.4 -37.0 19.2 53.1 -0.3 109 132 A L H <5S+ 0 0 20 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.946 113.5 42.9 -60.0 -51.2 18.5 49.6 -1.7 110 133 A I H <5S+ 0 0 56 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.845 109.1 54.0 -66.7 -40.9 16.2 48.7 1.3 111 134 A E H <5S- 0 0 36 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.845 92.8-154.6 -65.9 -27.4 14.3 52.0 1.5 112 135 A G T <5 + 0 0 56 -4,-1.3 -3,-0.1 -5,-0.2 -2,-0.1 0.806 53.7 126.0 59.9 32.6 13.5 51.4 -2.2 113 136 A K S > - 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