==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-SEP-98 2DPM . COMPND 2 MOLECULE: PROTEIN (ADENINE-SPECIFIC METHYLTRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR P.H.TRAN,Z.R.KORSZUN,S.CERRITELLI,S.S.SPRINGHORN,S.A.LACKS . 259 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13213.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 6.2 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 10 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 2 1 1 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 0 1 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 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 10 A T 0 0 137 0, 0.0 2,-0.1 0, 0.0 42,-0.1 0.000 360.0 360.0 360.0-117.0 9.5 20.7 71.6 2 11 A L + 0 0 41 40,-0.2 147,-0.0 41,-0.1 3,-0.0 -0.359 360.0 143.9 -73.6 146.5 9.8 22.4 68.2 3 12 A Q - 0 0 113 146,-0.1 36,-0.1 -2,-0.1 150,-0.1 -0.950 54.9 -52.1-168.8 164.9 12.8 22.1 65.9 4 13 A P - 0 0 38 0, 0.0 34,-0.1 0, 0.0 33,-0.1 -0.130 35.9-146.9 -48.6 140.4 13.6 21.9 62.1 5 14 A F S S+ 0 0 16 32,-0.3 2,-0.3 1,-0.1 141,-0.1 0.499 81.5 27.8 -87.8 -7.1 11.7 19.2 60.1 6 15 A T S S- 0 0 19 31,-0.2 2,-0.2 110,-0.0 -1,-0.1 -0.987 84.0-105.9-151.5 156.4 14.7 18.7 57.8 7 16 A K - 0 0 123 -2,-0.3 2,-0.3 -3,-0.1 -2,-0.0 -0.590 44.6-176.1 -79.0 145.0 18.5 18.9 57.8 8 17 A W > - 0 0 34 -2,-0.2 3,-2.2 115,-0.0 2,-0.2 -0.998 33.0 -97.3-150.0 145.0 19.8 21.9 55.8 9 18 A T T 3 S+ 0 0 100 -2,-0.3 28,-0.1 1,-0.3 113,-0.0 -0.397 113.5 16.9 -62.4 125.8 23.0 23.5 54.6 10 19 A G T 3 S+ 0 0 33 1,-0.2 -1,-0.3 252,-0.2 0, 0.0 0.533 87.0 173.5 88.3 7.0 24.0 26.2 57.1 11 20 A G < - 0 0 39 -3,-2.2 3,-0.3 251,-0.2 -1,-0.2 -0.226 25.0-148.7 -49.6 134.7 21.6 24.9 59.7 12 21 A K >> + 0 0 11 250,-1.8 4,-1.0 1,-0.2 3,-1.0 0.226 60.9 113.6 -97.0 15.5 22.1 26.9 62.9 13 22 A R G >4 S+ 0 0 173 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.921 80.2 47.6 -49.7 -54.9 21.2 24.3 65.6 14 23 A Q G 34 S+ 0 0 159 -3,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.711 111.2 52.7 -61.8 -21.9 24.7 24.1 67.1 15 24 A L G X> S+ 0 0 22 -3,-1.0 4,-2.1 1,-0.2 3,-1.2 0.604 78.8 99.1 -91.5 -11.9 25.0 27.9 67.2 16 25 A L H S+ 0 0 78 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.902 111.3 42.2 -55.3 -40.1 23.4 28.8 72.6 18 27 A V H <> S+ 0 0 48 -3,-1.2 4,-0.5 -4,-0.2 3,-0.3 0.929 115.6 48.1 -71.9 -45.8 25.4 31.8 71.2 19 28 A I H >X S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 4,-1.5 0.907 107.1 56.4 -60.9 -44.1 22.5 33.3 69.4 20 29 A R H 3< S+ 0 0 114 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.835 106.3 51.9 -56.7 -34.0 20.2 32.9 72.4 21 30 A E H 3< S+ 0 0 82 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.587 114.8 42.3 -80.3 -10.1 22.7 35.0 74.4 22 31 A L H << S+ 0 0 42 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.2 0.537 83.5 107.7-113.8 -11.2 22.7 37.8 71.8 23 32 A I S < S- 0 0 40 -4,-1.5 237,-0.1 1,-0.1 233,-0.0 -0.314 82.3 -90.0 -66.1 152.9 19.1 38.2 70.8 24 33 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.323 27.4-128.5 -64.3 149.1 17.4 41.4 72.1 25 34 A K S S+ 0 0 92 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.844 91.6 18.0 -65.7 -38.2 15.7 41.3 75.5 26 35 A T S S+ 0 0 103 153,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.997 73.5 146.4-138.7 140.3 12.5 42.8 74.2 27 36 A Y - 0 0 75 -2,-0.3 153,-0.2 1,-0.2 3,-0.1 -0.959 35.8-128.1-161.1 171.5 11.1 43.1 70.6 28 37 A N S S+ 0 0 109 151,-2.3 20,-0.2 1,-0.3 -1,-0.2 0.662 75.1 2.7 -95.5-107.9 7.8 43.1 68.6 29 38 A R - 0 0 35 148,-0.1 152,-2.6 18,-0.1 2,-0.4 -0.472 69.4-128.0 -83.2 158.9 7.4 40.9 65.5 30 39 A Y E -ab 49 181A 1 18,-1.8 20,-2.2 150,-0.2 2,-0.4 -0.881 20.4-172.2-111.3 139.2 10.1 38.4 64.2 31 40 A F E +ab 50 182A 2 150,-2.3 152,-2.4 -2,-0.4 20,-0.2 -0.991 12.4 177.9-131.1 134.5 11.5 38.2 60.7 32 41 A E E > +a 51 0A 1 18,-2.6 20,-1.8 -2,-0.4 3,-0.8 -0.779 5.3 179.4-137.3 88.9 13.8 35.5 59.2 33 42 A P T 3 S+ 0 0 3 0, 0.0 151,-0.1 0, 0.0 139,-0.1 0.514 82.2 38.9 -64.1 -20.8 14.5 36.3 55.4 34 43 A F T 3 S+ 0 0 4 149,-0.4 19,-0.2 19,-0.1 4,-0.2 -0.447 77.8 167.9-127.6 56.3 16.8 33.4 54.6 35 44 A V X + 0 0 0 17,-2.6 3,-2.5 -3,-0.8 4,-0.2 0.741 4.2 160.7 -44.2 -43.0 14.9 30.9 56.7 36 45 A G T 3 S- 0 0 0 1,-0.3 -1,-0.2 16,-0.2 -26,-0.1 -0.325 79.5 -11.1 54.5-127.5 16.5 27.6 55.5 37 46 A G T 3 S- 0 0 2 -28,-0.1 -32,-0.3 -33,-0.1 -1,-0.3 0.571 92.6-128.5 -78.1 -14.6 15.8 24.9 58.1 38 47 A G <> + 0 0 0 -3,-2.5 4,-3.0 -4,-0.2 5,-0.3 0.729 46.9 159.2 74.7 30.3 14.5 27.5 60.6 39 48 A A H > S+ 0 0 3 223,-1.0 4,-1.5 -4,-0.2 5,-0.1 0.890 79.9 37.9 -49.6 -52.0 16.5 26.6 63.7 40 49 A L H > S+ 0 0 1 222,-0.4 4,-3.0 2,-0.2 3,-0.5 0.979 114.9 53.8 -66.3 -54.1 16.0 30.1 65.4 41 50 A F H > S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.882 113.8 42.2 -45.4 -51.0 12.4 30.5 64.2 42 51 A F H < S+ 0 0 3 -4,-3.0 -1,-0.3 2,-0.2 -40,-0.2 0.801 112.7 53.8 -71.2 -28.2 11.4 27.1 65.7 43 52 A D H < S+ 0 0 63 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.897 116.8 38.0 -71.8 -39.5 13.5 27.8 68.9 44 53 A L H < S- 0 0 40 -4,-3.0 -2,-0.2 -5,-0.1 -3,-0.2 0.820 86.2-160.3 -79.0 -35.1 11.7 31.1 69.4 45 54 A A < - 0 0 34 -4,-2.5 -3,-0.1 -5,-0.3 -4,-0.1 0.955 20.3-153.5 49.7 59.0 8.2 29.9 68.3 46 55 A P - 0 0 16 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.286 18.8-144.0 -63.2 147.7 7.0 33.5 67.7 47 56 A K S S+ 0 0 163 1,-0.3 114,-2.5 113,-0.1 2,-0.3 0.726 94.8 27.6 -83.4 -22.7 3.3 34.3 67.9 48 57 A D E S+ c 0 161A 70 -20,-0.2 -18,-1.8 112,-0.2 -1,-0.3 -0.880 86.8 141.2-142.4 106.8 3.7 36.9 65.0 49 58 A A E -ac 30 162A 1 112,-2.4 114,-1.7 -2,-0.3 2,-0.4 -0.876 40.5-137.4-144.5 174.0 6.4 36.4 62.4 50 59 A V E -ac 31 163A 4 -20,-2.2 -18,-2.6 -2,-0.3 2,-0.3 -0.966 21.9-177.7-137.8 116.2 7.5 36.5 58.8 51 60 A I E +ac 32 164A 0 112,-2.4 114,-2.7 -2,-0.4 2,-0.3 -0.878 6.8 166.9-116.9 147.8 9.6 33.8 57.1 52 61 A N E + c 0 165A 3 -20,-1.8 -17,-2.6 -2,-0.3 2,-0.3 -0.991 11.0 174.1-155.5 153.3 11.1 33.7 53.6 53 62 A D E - c 0 166A 0 112,-0.9 114,-1.5 -2,-0.3 -19,-0.1 -0.946 33.6-132.1-158.3 149.7 13.6 31.8 51.3 54 63 A F S S+ 0 0 140 -2,-0.3 2,-0.8 112,-0.2 114,-0.1 0.793 84.9 93.2 -73.2 -30.2 14.4 31.9 47.6 55 64 A N > - 0 0 28 1,-0.2 4,-1.8 112,-0.1 3,-0.3 -0.547 59.6-165.8 -71.5 106.2 14.2 28.1 47.3 56 65 A A H > S+ 0 0 55 -2,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.800 84.7 56.5 -63.0 -35.7 10.7 27.3 46.2 57 66 A E H > S+ 0 0 56 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.890 107.4 49.5 -65.5 -38.8 10.9 23.6 47.0 58 67 A L H > S+ 0 0 2 -3,-0.3 4,-1.5 2,-0.2 3,-0.3 0.939 111.1 48.2 -65.0 -47.5 11.9 24.4 50.6 59 68 A I H X S+ 0 0 7 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.898 104.9 59.4 -60.8 -39.9 9.0 26.8 51.1 60 69 A N H X S+ 0 0 11 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.895 101.5 56.4 -54.9 -38.1 6.5 24.3 49.6 61 70 A C H X S+ 0 0 6 -4,-1.3 4,-1.7 -3,-0.3 -1,-0.2 0.958 108.5 45.6 -60.4 -47.3 7.6 22.0 52.5 62 71 A Y H X S+ 0 0 1 -4,-1.5 4,-1.9 1,-0.2 3,-0.3 0.948 113.4 50.1 -59.4 -49.8 6.6 24.6 55.1 63 72 A Q H X S+ 0 0 54 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.825 111.2 47.5 -58.7 -38.0 3.3 25.3 53.3 64 73 A Q H X S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.777 106.5 56.0 -79.1 -25.9 2.3 21.7 53.1 65 74 A I H < S+ 0 0 1 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.918 113.9 43.9 -68.3 -41.0 3.1 20.9 56.7 66 75 A K H < S+ 0 0 63 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.1 0.972 126.4 29.2 -64.6 -53.5 0.7 23.8 57.5 67 76 A D H < S+ 0 0 79 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.819 132.6 18.5 -82.0 -37.7 -2.0 22.7 55.0 68 77 A N X + 0 0 60 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 -0.271 64.0 148.9-135.3 57.0 -1.9 18.9 54.6 69 78 A P H > S+ 0 0 10 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.887 74.8 51.9 -56.5 -44.2 0.0 17.3 57.5 70 79 A Q H > S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.953 111.6 44.2 -57.9 -55.2 -2.0 14.0 57.5 71 80 A E H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.878 111.4 55.7 -59.2 -38.9 -1.5 13.3 53.8 72 81 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 -8,-0.2 -1,-0.2 0.949 109.4 45.9 -59.7 -48.4 2.2 14.2 54.0 73 82 A I H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.909 110.0 54.5 -62.7 -41.6 2.7 11.7 56.8 74 83 A E H X S+ 0 0 129 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.941 111.6 43.5 -56.7 -50.2 0.8 9.0 54.9 75 84 A I H X S+ 0 0 33 -4,-2.3 4,-2.2 1,-0.2 3,-0.3 0.904 111.5 53.8 -64.6 -40.9 2.9 9.3 51.8 76 85 A L H X S+ 0 0 6 -4,-2.5 4,-2.6 1,-0.3 -1,-0.2 0.930 104.8 55.4 -61.6 -39.3 6.1 9.5 53.8 77 86 A K H X S+ 0 0 85 -4,-2.6 4,-1.8 1,-0.2 -1,-0.3 0.840 107.0 51.2 -62.3 -30.7 5.1 6.3 55.5 78 87 A V H X S+ 0 0 68 -4,-1.2 4,-2.2 -3,-0.3 -1,-0.2 0.933 108.4 48.7 -72.3 -44.4 4.8 4.7 52.1 79 88 A H H X S+ 0 0 15 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.904 109.2 57.5 -59.5 -38.3 8.3 5.9 51.0 80 89 A Q H >< S+ 0 0 51 -4,-2.6 3,-0.6 -5,-0.2 -1,-0.2 0.924 108.0 44.2 -58.9 -46.8 9.5 4.4 54.3 81 90 A E H 3< S+ 0 0 157 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.913 118.1 41.9 -67.9 -43.2 8.2 0.9 53.6 82 91 A Y H 3< S+ 0 0 152 -4,-2.2 5,-0.2 -5,-0.1 -1,-0.2 0.409 82.3 147.5 -86.9 6.5 9.4 0.7 50.0 83 92 A N << + 0 0 45 -4,-0.8 2,-0.3 -3,-0.6 3,-0.1 -0.131 16.6 127.7 -49.0 120.0 12.8 2.3 50.7 84 93 A S > - 0 0 39 1,-0.1 4,-3.2 0, 0.0 5,-0.2 -0.959 69.7-104.6-166.0 161.5 15.6 1.0 48.5 85 94 A K H > S+ 0 0 92 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.912 124.0 48.7 -60.2 -43.3 18.3 2.3 46.2 86 95 A E H > S+ 0 0 135 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 111.5 49.3 -62.3 -44.8 16.2 1.2 43.2 87 96 A Y H > S+ 0 0 65 -5,-0.2 4,-2.3 2,-0.2 3,-0.4 0.973 111.9 49.0 -58.2 -54.2 13.1 2.9 44.7 88 97 A Y H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.917 109.0 52.6 -50.8 -52.8 15.0 6.1 45.4 89 98 A L H X S+ 0 0 59 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.837 110.2 46.8 -57.3 -37.0 16.5 6.2 41.9 90 99 A D H < S+ 0 0 116 -4,-1.9 4,-0.3 -3,-0.4 -1,-0.2 0.902 113.6 47.5 -74.2 -38.8 13.1 5.9 40.1 91 100 A L H >< S+ 0 0 26 -4,-2.3 3,-1.3 1,-0.2 4,-0.2 0.902 109.7 54.7 -67.7 -38.5 11.4 8.5 42.3 92 101 A R H >< S+ 0 0 46 -4,-2.8 3,-1.3 -5,-0.3 40,-0.3 0.899 101.2 58.3 -60.5 -42.1 14.4 10.9 41.8 93 102 A S G >< S+ 0 0 31 -4,-1.5 3,-2.5 1,-0.3 4,-0.5 0.541 78.1 93.4 -67.9 -7.5 14.1 10.7 38.0 94 103 A A G X S+ 0 0 1 -3,-1.3 6,-1.8 -4,-0.3 3,-0.9 0.816 80.4 58.2 -55.0 -31.5 10.5 12.0 38.2 95 104 A D G < S+ 0 0 31 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.1 0.354 101.4 57.0 -82.1 7.4 11.8 15.5 37.7 96 105 A R G < S+ 0 0 115 -3,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.448 109.2 42.1-111.9 -5.5 13.4 14.3 34.4 97 106 A D S < S- 0 0 77 -3,-0.9 2,-0.2 -4,-0.5 -2,-0.1 -0.107 107.7-100.5-138.1 43.0 10.2 13.1 32.7 98 107 A E S >> S+ 0 0 58 1,-0.2 4,-0.9 -3,-0.1 3,-0.8 0.301 96.0 108.0 62.1 -13.2 7.2 15.5 33.3 99 108 A R H >> S+ 0 0 105 -5,-0.5 3,-1.2 1,-0.2 4,-0.9 0.911 73.0 62.7 -57.9 -40.2 5.8 13.2 36.1 100 109 A I H 34 S+ 0 0 31 -6,-1.8 3,-0.4 1,-0.3 -1,-0.2 0.820 98.9 54.3 -54.4 -32.5 6.9 16.0 38.5 101 110 A D H <4 S+ 0 0 122 -3,-0.8 -1,-0.3 -7,-0.2 -2,-0.2 0.775 106.5 51.2 -74.8 -25.7 4.5 18.3 36.8 102 111 A M H << S+ 0 0 161 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.585 91.5 99.5 -86.5 -11.4 1.6 15.9 37.4 103 112 A M S < S- 0 0 42 -4,-0.9 2,-0.0 -3,-0.4 -3,-0.0 -0.486 74.7-118.9 -80.1 145.2 2.4 15.6 41.1 104 113 A S > - 0 0 47 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.324 29.8-106.3 -74.0 166.1 0.5 17.5 43.8 105 114 A E H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.928 122.2 49.1 -59.9 -44.3 2.3 20.0 46.1 106 115 A V H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 109.6 51.9 -64.6 -37.7 2.1 17.6 49.0 107 116 A Q H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.899 109.6 50.5 -64.5 -37.9 3.4 14.7 46.9 108 117 A R H X S+ 0 0 52 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.910 108.9 51.3 -65.8 -40.9 6.3 16.9 45.9 109 118 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.919 109.4 49.7 -62.6 -43.9 7.0 17.8 49.6 110 119 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.901 108.7 54.7 -62.4 -39.3 7.0 14.1 50.5 111 120 A R H X S+ 0 0 13 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.959 112.3 40.7 -61.1 -50.7 9.4 13.3 47.6 112 121 A I H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.921 114.1 51.8 -67.0 -42.3 12.0 15.9 48.7 113 122 A L H X S+ 0 0 16 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.912 112.5 47.2 -60.1 -40.5 11.8 15.2 52.4 114 123 A Y H X S+ 0 0 1 -4,-2.2 4,-1.2 -5,-0.2 3,-0.5 0.949 110.5 51.5 -65.0 -51.9 12.3 11.4 51.7 115 124 A M H >X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 3,-0.6 0.900 108.2 51.1 -55.7 -42.0 15.2 12.0 49.4 116 125 A L H 3< S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.836 107.9 53.9 -66.3 -30.8 17.1 14.2 51.9 117 126 A R H 3< S+ 0 0 93 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.715 121.1 28.2 -75.1 -24.0 16.7 11.6 54.6 118 127 A V H << S+ 0 0 3 -4,-1.2 19,-2.2 -3,-0.6 -2,-0.2 0.456 100.9 91.8-117.8 -3.3 18.2 8.7 52.6 119 128 A N B >< S-G 136 0B 1 -4,-1.7 3,-0.6 17,-0.2 2,-0.4 -0.134 92.0 -62.0 -84.2-175.1 20.6 10.3 50.2 120 129 A F G > S- 0 0 114 15,-2.2 3,-1.7 1,-0.2 -1,-0.2 -0.548 113.8 -21.8 -70.0 120.2 24.3 11.0 50.5 121 130 A N G 3 S- 0 0 83 -2,-0.4 -1,-0.2 1,-0.3 -5,-0.1 0.539 102.9 -85.0 57.3 13.5 24.9 13.4 53.4 122 131 A G G < S+ 0 0 11 -3,-0.6 2,-0.3 1,-0.2 -1,-0.3 0.846 79.4 167.2 58.4 33.6 21.4 14.8 53.4 123 132 A L < - 0 0 41 -3,-1.7 2,-0.6 -115,-0.1 -1,-0.2 -0.606 33.7-147.4 -86.6 134.7 22.5 17.2 50.7 124 133 A Y + 0 0 60 -2,-0.3 2,-0.3 9,-0.0 -115,-0.1 -0.927 39.0 146.3-100.4 119.9 20.1 19.3 48.5 125 134 A R - 0 0 102 -2,-0.6 8,-1.7 9,-0.0 2,-0.3 -0.978 25.4-170.5-157.7 141.2 21.6 19.8 45.1 126 135 A V B -H 132 0C 49 -2,-0.3 6,-0.2 6,-0.3 2,-0.1 -0.907 22.0-120.6-130.3 156.7 20.4 20.1 41.5 127 136 A N > - 0 0 41 4,-2.6 3,-2.5 -2,-0.3 4,-0.1 -0.230 48.5 -79.4 -85.5-174.7 22.2 20.1 38.1 128 137 A S T 3 S+ 0 0 132 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.650 132.7 53.9 -62.0 -16.4 22.1 22.9 35.5 129 138 A K T 3 S- 0 0 57 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.261 120.4-108.4-100.4 10.8 18.7 21.6 34.4 130 139 A N S < S+ 0 0 132 -3,-2.5 2,-0.4 1,-0.3 -2,-0.1 0.802 73.5 140.3 66.7 33.1 17.3 21.9 37.9 131 140 A Q - 0 0 47 -4,-0.1 -4,-2.6 -35,-0.0 -1,-0.3 -0.877 61.9-105.6-107.3 137.1 17.1 18.1 38.3 132 141 A F B +H 126 0C 3 -2,-0.4 -6,-0.3 -40,-0.3 -37,-0.1 -0.410 39.6 178.0 -60.3 131.5 18.1 16.5 41.7 133 142 A N + 0 0 50 -8,-1.7 -7,-0.1 -2,-0.1 -1,-0.1 -0.037 30.6 121.4-131.8 36.0 21.5 14.9 41.3 134 143 A V - 0 0 0 -9,-0.3 -2,-0.0 -11,-0.1 -9,-0.0 -0.833 55.9-126.5-102.3 135.2 22.6 13.4 44.6 135 144 A P - 0 0 67 0, 0.0 -15,-2.2 0, 0.0 2,-0.1 -0.219 33.6 -84.7 -74.5 168.5 23.3 9.7 44.9 136 145 A Y B -G 119 0B 42 -17,-0.2 -17,-0.2 1,-0.1 2,-0.1 -0.398 48.5-123.8 -71.0 148.0 21.8 7.2 47.4 137 146 A G - 0 0 8 -19,-2.2 2,-0.4 -2,-0.1 3,-0.2 -0.355 11.7-127.2 -92.5 172.6 23.3 7.0 50.8 138 147 A R S S+ 0 0 142 1,-0.2 -1,-0.0 -19,-0.1 -19,-0.0 -0.931 79.0 2.7-122.6 145.4 24.8 4.1 52.9 139 148 A Y S S+ 0 0 236 -2,-0.4 2,-0.2 1,-0.2 -1,-0.2 0.845 83.7 161.0 50.9 44.5 24.0 3.0 56.5 140 149 A K - 0 0 94 -3,-0.2 -1,-0.2 -22,-0.1 -22,-0.1 -0.563 49.8 -86.3 -92.2 158.8 21.2 5.5 57.0 141 150 A N - 0 0 101 -2,-0.2 -1,-0.1 -24,-0.2 -2,-0.0 -0.419 27.6-147.4 -65.1 126.8 18.5 5.3 59.7 142 151 A P S S+ 0 0 101 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.728 84.5 81.7 -67.2 -21.4 15.6 3.2 58.4 143 152 A K + 0 0 78 1,-0.1 -2,-0.1 3,-0.0 3,-0.0 -0.789 50.7 152.0 -85.5 114.9 13.3 5.4 60.5 144 153 A I + 0 0 7 -2,-0.8 2,-0.5 -68,-0.1 -1,-0.1 0.364 43.5 80.0-126.4 2.1 12.7 8.5 58.4 145 154 A V - 0 0 16 -68,-0.1 2,-0.6 -28,-0.0 -1,-0.1 -0.956 52.0-166.3-115.6 128.5 9.3 9.8 59.4 146 155 A D > + 0 0 67 -2,-0.5 4,-1.9 1,-0.2 5,-0.2 -0.733 13.8 177.3-114.9 82.8 8.8 11.9 62.5 147 156 A E H > S+ 0 0 100 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.897 74.1 46.0 -47.6 -61.9 5.0 11.9 62.9 148 157 A E H > S+ 0 0 76 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.898 110.5 55.1 -56.4 -42.5 4.5 13.8 66.1 149 158 A L H > S+ 0 0 21 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.914 109.6 45.2 -58.3 -47.8 7.0 16.6 65.1 150 159 A I H X S+ 0 0 12 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.968 114.0 49.3 -61.6 -49.0 5.1 17.3 61.8 151 160 A S H X S+ 0 0 50 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.913 112.9 48.9 -55.9 -43.4 1.8 17.2 63.6 152 161 A A H X S+ 0 0 44 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.907 109.6 48.9 -64.3 -47.0 3.1 19.6 66.2 153 162 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.917 112.0 51.8 -60.3 -40.9 4.6 22.1 63.8 154 163 A S H X S+ 0 0 7 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.959 109.2 48.0 -59.6 -53.9 1.3 22.1 61.9 155 164 A V H X S+ 0 0 82 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.941 113.3 49.5 -52.4 -51.0 -0.7 22.8 65.0 156 165 A Y H >X S+ 0 0 30 -4,-2.6 3,-0.8 1,-0.2 4,-0.5 0.938 111.9 46.2 -54.9 -54.6 1.7 25.6 66.0 157 166 A I H >< S+ 0 0 5 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 0.904 112.5 50.7 -58.3 -42.1 1.6 27.3 62.6 158 167 A N H 3< S+ 0 0 82 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.685 110.0 50.0 -71.9 -16.9 -2.2 27.1 62.3 159 168 A N H << S+ 0 0 119 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.421 110.8 50.8-101.6 2.4 -2.8 28.6 65.8 160 169 A N S << S- 0 0 59 -3,-1.0 2,-0.7 -4,-0.5 -112,-0.2 -0.530 91.1 -86.1-126.1-170.5 -0.5 31.7 65.3 161 170 A Q E +c 48 0A 45 -114,-2.5 -112,-2.4 -2,-0.2 2,-0.4 -0.910 54.5 156.0-106.7 110.6 0.3 34.6 63.0 162 171 A L E -c 49 0A 34 -2,-0.7 2,-0.6 -114,-0.2 -112,-0.2 -0.994 29.5-160.7-140.7 132.4 2.7 33.6 60.2 163 172 A E E -c 50 0A 67 -114,-1.7 -112,-2.4 -2,-0.4 2,-0.6 -0.958 14.1-161.6-111.6 115.9 3.4 35.0 56.8 164 173 A I E -c 51 0A 31 -2,-0.6 2,-0.3 -114,-0.2 -112,-0.2 -0.906 15.3-177.8-100.5 121.1 5.3 32.5 54.6 165 174 A K E -c 52 0A 63 -114,-2.7 -112,-0.9 -2,-0.6 2,-0.4 -0.856 18.8-156.7-122.3 157.4 7.0 34.0 51.5 166 175 A V E +c 53 0A 80 -2,-0.3 2,-0.3 -114,-0.2 -112,-0.2 -0.998 55.1 44.9-130.1 131.7 9.1 32.9 48.5 167 176 A G S S- 0 0 21 -114,-1.5 -112,-0.1 -2,-0.4 2,-0.1 -0.893 91.9 -4.2 135.6-167.1 11.5 35.0 46.6 168 177 A D >> - 0 0 31 -2,-0.3 3,-1.1 1,-0.1 4,-0.9 -0.357 60.2-123.6 -66.0 139.0 14.3 37.6 47.3 169 178 A F G >4 S+ 0 0 5 1,-0.3 3,-0.6 2,-0.2 4,-0.5 0.804 107.0 64.4 -49.9 -39.9 15.1 38.6 50.9 170 179 A E G >4 S+ 0 0 55 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.918 100.0 51.7 -55.3 -42.4 14.5 42.3 50.2 171 180 A K G X4 S+ 0 0 126 -3,-1.1 3,-0.9 1,-0.3 -1,-0.3 0.821 103.1 60.8 -64.9 -29.4 10.9 41.7 49.4 172 181 A A G << S+ 0 0 6 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.522 100.8 52.6 -78.8 -5.0 10.4 39.8 52.6 173 182 A I G X S+ 0 0 0 -3,-1.5 3,-1.6 -4,-0.5 -1,-0.2 0.308 71.1 107.2-113.9 12.2 11.3 42.8 54.8 174 183 A V T < S+ 0 0 85 -3,-0.9 -1,-0.1 1,-0.3 -2,-0.1 0.848 77.6 54.6 -57.8 -36.7 9.0 45.5 53.5 175 184 A D T 3 S+ 0 0 82 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.174 75.5 135.8 -87.7 20.9 6.7 45.5 56.5 176 185 A V < - 0 0 21 -3,-1.6 2,-0.3 4,-0.0 45,-0.1 -0.508 30.0-178.7 -73.9 128.2 9.4 46.0 59.1 177 186 A R > - 0 0 145 -2,-0.3 3,-1.8 1,-0.1 -149,-0.1 -0.784 39.3 -65.7-120.8 168.1 8.5 48.6 61.8 178 187 A T T 3 S+ 0 0 91 -2,-0.3 43,-0.3 1,-0.2 42,-0.1 -0.206 118.5 22.0 -55.4 136.0 10.4 50.0 64.8 179 188 A G T 3 S+ 0 0 12 41,-3.0 -151,-2.3 1,-0.3 -1,-0.2 0.308 90.2 127.1 91.3 -11.9 11.1 47.5 67.5 180 189 A D < - 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