==== 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 3KQY . 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) . 20626.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 69.8 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 . 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 . 32 6.1 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 . 145 27.5 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 2 0 0 0 0 2 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 1 4 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 . 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,-3.0 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -61.1 34.6 51.9 32.0 2 25 A S G > + 0 0 105 1,-0.3 3,-1.4 2,-0.2 4,-0.1 0.691 360.0 74.5 -53.9 -17.5 38.2 52.9 32.2 3 26 A A G > S+ 0 0 33 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.845 81.6 67.7 -61.6 -34.2 38.6 50.0 29.7 4 27 A Y G < S+ 0 0 10 -3,-3.0 3,-0.3 1,-0.3 -1,-0.3 0.554 81.6 76.1 -66.0 -6.0 37.1 52.4 27.1 5 28 A Q G < S+ 0 0 136 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.597 96.9 46.9 -81.0 -8.9 40.3 54.5 27.4 6 29 A R S < S+ 0 0 176 -3,-2.2 198,-0.7 -4,-0.1 197,-0.5 0.468 83.1 130.5-102.6 -8.1 42.0 51.8 25.3 7 30 A F - 0 0 9 -4,-0.3 195,-0.2 -3,-0.3 75,-0.1 -0.265 45.0-156.2 -52.3 116.1 39.2 51.6 22.8 8 31 A E > - 0 0 78 193,-2.1 4,-2.1 1,-0.2 3,-0.2 -0.871 4.5-159.6 -99.4 109.4 40.6 51.9 19.2 9 32 A P H > S+ 0 0 16 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.890 90.9 52.3 -53.7 -45.7 38.0 53.2 16.7 10 33 A R H > S+ 0 0 118 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.895 111.1 46.8 -60.3 -41.4 39.8 51.8 13.6 11 34 A A H > S+ 0 0 18 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.857 112.3 51.1 -68.4 -34.0 40.0 48.3 15.2 12 35 A Y H X S+ 0 0 7 -4,-2.1 4,-1.7 189,-0.2 5,-0.3 0.942 111.6 46.4 -67.8 -47.7 36.4 48.5 16.2 13 36 A L H X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.2 3,-0.4 0.957 113.2 50.0 -54.5 -53.8 35.3 49.5 12.7 14 37 A R H X S+ 0 0 183 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.874 111.9 48.6 -51.4 -43.2 37.5 46.7 11.2 15 38 A N H < S+ 0 0 28 -4,-2.0 6,-0.2 1,-0.2 -1,-0.2 0.790 128.0 18.7 -72.0 -31.5 36.0 44.1 13.5 16 39 A N H < S+ 0 0 21 -4,-1.7 -2,-0.2 -3,-0.4 -3,-0.2 0.613 129.6 37.2-118.5 -19.1 32.3 44.9 13.0 17 40 A Y H < S+ 0 0 9 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.1 0.252 100.4 73.2-129.5 11.2 31.9 46.9 9.8 18 41 A A S X S- 0 0 27 -4,-0.7 4,-1.7 -5,-0.4 3,-0.5 -0.822 94.6 -32.8-111.9 160.8 34.5 45.3 7.4 19 42 A P T 4 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.183 120.2 29.2 -51.1 149.4 34.0 41.9 5.9 20 43 A P T >4 S+ 0 0 67 0, 0.0 3,-1.8 0, 0.0 219,-0.1 -0.909 138.9 26.1 -76.9 -32.9 32.7 39.4 6.8 21 44 A R T 34 S+ 0 0 11 -3,-0.5 10,-0.6 1,-0.3 -5,-0.1 0.800 126.4 52.6 -61.5 -27.4 30.2 41.2 9.0 22 45 A G T 3< S+ 0 0 9 -4,-1.7 2,-0.8 -8,-0.2 -1,-0.3 0.465 79.5 106.4 -88.6 -4.3 30.5 44.2 6.7 23 46 A D < - 0 0 81 -3,-1.8 3,-0.2 -5,-0.3 8,-0.2 -0.693 45.7-177.5 -76.3 112.8 29.8 42.4 3.5 24 47 A L + 0 0 6 -2,-0.8 -1,-0.1 1,-0.2 5,-0.1 0.432 58.3 91.7 -92.5 0.7 26.3 43.5 2.6 25 48 A a S S+ 0 0 17 358,-0.1 359,-0.2 2,-0.0 -1,-0.2 0.962 73.7 69.0 -62.2 -52.6 25.9 41.4 -0.6 26 49 A N S > S- 0 0 72 -3,-0.2 3,-1.3 1,-0.2 357,-0.0 -0.533 74.0-152.5 -67.1 123.6 24.3 38.4 1.2 27 50 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.747 91.5 65.3 -70.6 -21.3 20.8 39.6 2.4 28 51 A N T 3 S+ 0 0 124 4,-0.1 -2,-0.1 5,-0.0 -3,-0.0 0.388 82.3 104.9 -81.5 1.4 20.9 37.1 5.2 29 52 A G S <> S- 0 0 8 -3,-1.3 4,-1.6 -5,-0.1 5,-0.1 -0.253 82.5-113.0 -78.1 171.8 23.8 38.9 6.9 30 53 A V H > S+ 0 0 9 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.867 111.1 58.8 -77.6 -37.5 23.5 41.1 10.0 31 54 A G H > S+ 0 0 1 -10,-0.6 4,-2.4 2,-0.2 5,-0.2 0.957 110.7 41.3 -53.3 -56.7 24.4 44.4 8.2 32 55 A P H > S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.904 113.2 55.3 -59.0 -43.2 21.4 44.1 5.8 33 56 A W H X S+ 0 0 34 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.939 110.0 45.9 -54.6 -48.6 19.2 42.8 8.6 34 57 A K H X S+ 0 0 9 -4,-3.0 4,-2.3 1,-0.2 3,-0.3 0.948 111.5 49.7 -60.5 -52.0 20.0 45.9 10.7 35 58 A L H X S+ 0 0 2 -4,-2.4 4,-3.3 1,-0.2 -1,-0.2 0.849 109.3 55.3 -56.1 -34.3 19.5 48.4 7.8 36 59 A R H X S+ 0 0 73 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.883 105.7 49.2 -68.5 -40.9 16.2 46.7 7.1 37 60 A C H X S+ 0 0 5 -4,-1.8 4,-1.8 -3,-0.3 -2,-0.2 0.940 115.6 45.0 -63.5 -46.4 14.8 47.2 10.6 38 61 A L H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.982 116.6 45.0 -57.5 -57.5 15.8 50.8 10.5 39 62 A A H X S+ 0 0 7 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.909 112.7 49.0 -56.1 -51.1 14.4 51.3 7.0 40 63 A Q H X S+ 0 0 91 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.879 110.3 53.0 -59.9 -37.5 11.1 49.5 7.5 41 64 A T H ><>S+ 0 0 7 -4,-1.8 3,-1.1 -5,-0.3 5,-0.5 0.966 112.6 41.1 -64.2 -55.4 10.5 51.4 10.8 42 65 A F H ><5S+ 0 0 2 -4,-2.1 3,-2.0 1,-0.2 5,-0.2 0.843 106.1 65.6 -60.7 -34.3 10.9 54.9 9.3 43 66 A A H 3<5S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.769 87.4 70.4 -61.2 -24.0 9.0 53.9 6.2 44 67 A T T <<5S- 0 0 61 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.706 99.4-138.7 -65.0 -20.0 5.9 53.5 8.4 45 68 A G T < 5S+ 0 0 45 -3,-2.0 -3,-0.1 -4,-0.3 -2,-0.1 0.539 76.6 106.2 74.9 7.4 5.9 57.3 8.7 46 69 A E < + 0 0 101 -5,-0.5 2,-0.8 1,-0.2 -4,-0.1 0.591 62.7 70.8 -95.1 -11.7 5.1 57.1 12.4 47 70 A V S S+ 0 0 2 -6,-0.3 2,-0.3 -5,-0.2 -1,-0.2 -0.765 74.6 130.8-107.5 87.2 8.6 58.1 13.6 48 71 A S + 0 0 64 -2,-0.8 2,-0.3 105,-0.1 23,-0.1 -0.886 10.5 107.9-139.6 163.6 8.8 61.7 12.7 49 72 A G - 0 0 37 21,-1.0 23,-0.4 -2,-0.3 3,-0.1 -0.977 65.2 -80.6 158.6-163.7 9.7 65.2 14.0 50 73 A R S S+ 0 0 116 -2,-0.3 23,-2.7 21,-0.2 2,-0.3 0.774 99.4 40.8-103.0 -33.7 12.4 67.9 13.8 51 74 A T E +a 73 0A 7 21,-0.2 102,-1.3 20,-0.1 103,-0.7 -0.926 55.7 176.3-128.9 146.7 15.2 66.7 16.1 52 75 A L E -ab 74 154A 1 21,-2.2 23,-2.8 -2,-0.3 2,-0.4 -0.996 13.9-150.4-147.7 145.0 16.8 63.4 16.8 53 76 A I E -ab 75 155A 2 101,-1.7 103,-2.4 -2,-0.3 2,-0.6 -0.973 6.5-149.9-123.3 133.8 19.7 62.2 19.0 54 77 A D E > -ab 76 156A 0 21,-2.9 23,-0.9 -2,-0.4 2,-0.6 -0.904 20.3-145.3 -99.6 116.2 22.0 59.2 18.4 55 78 A I E 3 S- b 0 157A 0 101,-3.3 103,-0.5 -2,-0.6 106,-0.1 -0.723 75.7 -6.9 -89.0 115.7 23.2 57.9 21.8 56 79 A G T 3 S+ 0 0 2 -2,-0.6 -1,-0.3 101,-0.1 22,-0.2 0.964 73.4 177.0 68.3 53.1 26.7 56.5 21.8 57 80 A S X - 0 0 0 20,-3.1 3,-1.3 -3,-0.6 21,-0.2 0.807 11.3-173.5 -56.2 -35.8 27.3 56.8 18.1 58 81 A G T 3 - 0 0 0 19,-0.6 -1,-0.2 1,-0.2 29,-0.2 -0.471 63.1 -40.6 65.3-144.0 30.9 55.6 18.4 59 82 A P T 3 S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.014 114.7 103.6-100.5 27.1 32.7 56.0 15.0 60 83 A T < + 0 0 0 -3,-1.3 27,-0.0 1,-0.1 40,-0.0 -0.817 37.4 171.8-118.5 155.3 29.6 54.8 13.0 61 84 A V > + 0 0 0 -2,-0.3 3,-2.8 467,-0.1 4,-0.5 0.502 58.4 96.1-130.8 -16.0 26.9 56.4 10.9 62 85 A Y G > S+ 0 0 1 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.824 77.6 68.4 -48.4 -35.1 25.0 53.5 9.4 63 86 A Q G 3 S+ 0 0 1 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.645 103.3 43.1 -65.1 -14.7 22.4 53.8 12.2 64 87 A L G <> S+ 0 0 0 -3,-2.8 4,-2.8 2,-0.1 -1,-0.3 0.439 83.1 101.6-107.4 -1.2 21.3 57.2 10.8 65 88 A L T <4 S+ 0 0 0 -3,-1.6 4,-0.2 -4,-0.5 -2,-0.1 0.910 96.0 26.4 -53.6 -53.6 21.2 56.3 7.1 66 89 A S T >4 S+ 0 0 3 -4,-0.4 3,-0.8 1,-0.2 -1,-0.2 0.782 119.7 61.1 -77.4 -27.5 17.4 55.9 6.9 67 90 A A G >4 S+ 0 0 0 1,-0.2 3,-2.4 -4,-0.2 4,-0.4 0.866 87.1 71.8 -68.5 -36.5 16.7 58.2 9.8 68 91 A C G 3< S+ 0 0 0 -4,-2.8 3,-0.5 1,-0.3 -1,-0.2 0.673 88.4 61.4 -60.4 -19.8 18.3 61.3 8.3 69 92 A S G < S+ 0 0 34 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.1 0.483 106.3 47.1 -86.8 0.9 15.5 61.9 5.8 70 93 A H S < S+ 0 0 43 -3,-2.4 -21,-1.0 1,-0.2 2,-0.4 0.377 108.6 53.6-117.1 -0.5 12.9 62.3 8.6 71 94 A F - 0 0 0 -3,-0.5 -1,-0.2 -4,-0.4 -21,-0.2 -0.912 53.6-166.3-146.1 114.1 14.7 64.7 10.9 72 95 A E S S+ 0 0 103 -23,-0.4 2,-0.6 -2,-0.4 -21,-0.2 0.728 84.0 51.0 -73.2 -22.9 16.2 68.1 10.0 73 96 A D E +a 51 0A 13 -23,-2.7 -21,-2.2 55,-0.1 2,-0.5 -0.937 70.0 178.3-120.6 110.7 18.3 68.4 13.2 74 97 A I E -ac 52 128A 0 53,-2.9 55,-2.1 -2,-0.6 56,-1.1 -0.938 10.7-165.7-118.1 130.9 20.4 65.5 14.1 75 98 A T E -ac 53 130A 2 -23,-2.8 -21,-2.9 -2,-0.5 2,-0.3 -0.964 6.1-163.7-114.1 126.2 22.7 65.3 17.1 76 99 A M E -ac 54 131A 0 54,-2.7 56,-2.8 -2,-0.5 2,-0.3 -0.806 12.4-172.1-106.1 152.9 25.4 62.5 17.4 77 100 A T E + c 0 132A 0 -23,-0.9 -20,-3.1 -2,-0.3 -19,-0.6 -0.964 15.4 168.9-142.3 154.0 27.1 61.6 20.6 78 101 A D - 0 0 0 54,-1.7 56,-0.5 -2,-0.3 6,-0.1 -0.897 34.5-134.8-163.7 151.0 29.9 59.6 22.2 79 102 A F S S+ 0 0 75 -2,-0.3 2,-0.4 54,-0.2 -1,-0.1 0.841 88.9 72.4 -66.3 -34.5 31.7 59.2 25.4 80 103 A L > - 0 0 7 1,-0.1 4,-1.6 -3,-0.1 3,-0.2 -0.682 67.0-150.7 -93.9 134.9 35.1 59.0 23.7 81 104 A E H > S+ 0 0 100 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.878 99.1 60.2 -61.8 -39.8 36.9 62.0 22.1 82 105 A V H > S+ 0 0 63 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.843 105.8 47.2 -61.3 -34.7 38.6 59.6 19.7 83 106 A N H > S+ 0 0 0 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.880 109.7 52.1 -72.1 -39.8 35.2 58.5 18.3 84 107 A R H X S+ 0 0 47 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.843 110.1 50.6 -65.2 -31.8 34.0 62.0 18.0 85 108 A Q H X S+ 0 0 93 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.867 109.3 50.5 -70.8 -37.3 37.1 62.8 16.0 86 109 A E H X S+ 0 0 12 -4,-1.4 4,-1.2 2,-0.2 12,-0.3 0.890 109.3 50.3 -70.5 -40.3 36.6 59.8 13.8 87 110 A L H >X S+ 0 0 2 -4,-2.4 4,-2.9 1,-0.2 3,-0.5 0.918 108.1 53.7 -59.2 -45.9 32.9 60.8 13.1 88 111 A G H 3X S+ 0 0 16 -4,-1.7 4,-2.7 1,-0.2 6,-0.4 0.871 100.9 60.5 -58.6 -39.0 34.1 64.3 12.2 89 112 A R H 3<>S+ 0 0 66 -4,-1.6 5,-1.7 1,-0.2 8,-0.3 0.873 113.2 36.7 -56.9 -38.8 36.6 62.9 9.7 90 113 A W H X<5S+ 0 0 8 -4,-1.2 3,-0.8 -3,-0.5 -2,-0.2 0.858 115.3 54.2 -80.9 -38.0 33.6 61.4 7.8 91 114 A L H 3<5S+ 0 0 17 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.847 117.5 36.4 -64.2 -34.0 31.3 64.3 8.4 92 115 A Q T 3<5S- 0 0 131 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.277 108.8-122.0-101.6 7.6 33.8 66.8 6.9 93 116 A E T < 5 + 0 0 140 -3,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.800 54.9 166.7 53.5 30.8 35.0 64.3 4.3 94 117 A E > < - 0 0 89 -5,-1.7 3,-1.0 -6,-0.4 -1,-0.1 -0.133 44.0 -74.7 -66.0 169.5 38.5 64.8 5.8 95 118 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.411 114.6 24.2 -69.9 143.7 41.3 62.4 4.9 96 119 A G T 3 S+ 0 0 60 1,-0.2 -6,-0.1 -2,-0.1 -7,-0.1 0.555 83.2 155.9 81.3 9.2 41.4 58.9 6.4 97 120 A A < - 0 0 34 -3,-1.0 2,-0.2 -8,-0.3 -1,-0.2 -0.196 50.0-100.4 -61.6 158.7 37.6 58.8 6.9 98 121 A F - 0 0 30 -12,-0.3 2,-1.0 -39,-0.1 -1,-0.1 -0.571 34.0-116.8 -80.1 148.7 36.0 55.4 7.1 99 122 A N + 0 0 98 -2,-0.2 3,-0.3 1,-0.2 4,-0.1 -0.768 42.2 162.7 -92.7 103.5 34.2 54.3 3.9 100 123 A W >> + 0 0 2 -2,-1.0 4,-2.2 1,-0.2 3,-1.2 0.375 43.6 108.6 -94.6 3.0 30.5 53.9 4.7 101 124 A S H 3> S+ 0 0 14 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.802 72.4 56.5 -59.4 -35.3 29.5 54.0 1.0 102 125 A M H 3> S+ 0 0 66 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.890 111.7 45.2 -60.4 -37.5 28.6 50.3 0.9 103 126 A Y H <> S+ 0 0 6 -3,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.906 111.3 51.3 -72.7 -43.0 26.1 51.0 3.7 104 127 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.931 110.7 50.4 -56.4 -45.9 24.8 54.1 2.1 105 128 A Q H X S+ 0 0 7 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.940 110.6 47.5 -60.6 -49.4 24.2 52.2 -1.1 106 129 A H H X S+ 0 0 16 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.837 108.6 55.1 -64.7 -31.3 22.3 49.4 0.6 107 130 A A H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.950 110.9 45.2 -62.9 -46.8 20.2 51.8 2.5 108 131 A C H X>S+ 0 0 1 -4,-2.3 4,-1.8 2,-0.2 5,-0.6 0.917 113.3 51.3 -60.4 -43.7 19.2 53.4 -0.8 109 132 A L H <5S+ 0 0 18 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.942 114.8 41.9 -55.1 -52.7 18.6 49.9 -2.2 110 133 A I H <5S+ 0 0 54 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.907 110.9 53.4 -67.0 -45.9 16.4 48.9 0.7 111 134 A E H <5S- 0 0 35 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.850 93.2-152.5 -61.3 -33.2 14.4 52.1 1.0 112 135 A G T <5 + 0 0 54 -4,-1.8 -3,-0.1 -5,-0.3 -4,-0.1 0.882 54.6 125.0 65.9 42.5 13.6 51.7 -2.7 113 136 A K S > - 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