==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-MAY-03 1P7L . COMPND 2 MOLECULE: S-ADENOSYLMETHIONINE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.TAKUSAGAWA,J.KOMOTO . 1536 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1032 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 240 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 8 0.5 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 . 84 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 168 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 394 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 2.3 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 5 0 0 8 4 0 0 8 4 0 0 0 0 0 8 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 4 0 0 4 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 . 10 8 0 0 4 0 0 8 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 4 0 0 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 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 1 A A 0 0 110 0, 0.0 174,-0.7 0, 0.0 173,-0.4 0.000 360.0 360.0 360.0 105.1 31.3 16.1 -12.7 2 2 A K + 0 0 143 171,-0.2 2,-0.3 172,-0.1 171,-0.2 -0.599 360.0 149.7 -89.9 149.4 28.2 16.7 -14.8 3 3 A H E -A 172 0A 73 169,-1.5 169,-2.9 -2,-0.2 2,-0.4 -0.952 36.7-117.1-171.3 156.9 24.7 15.5 -14.0 4 4 A L E -A 171 0A 37 690,-0.5 2,-0.4 -2,-0.3 167,-0.2 -0.873 21.1-174.3-110.2 136.6 21.1 16.5 -14.4 5 5 A F E -A 170 0A 2 165,-1.6 165,-2.3 -2,-0.4 2,-0.4 -0.994 8.0-161.2-129.7 129.7 18.6 17.4 -11.7 6 6 A T E +A 169 0A 0 -2,-0.4 2,-0.3 163,-0.2 163,-0.2 -0.880 11.6 172.5-116.5 142.1 14.8 18.0 -12.3 7 7 A S E -A 168 0A 1 161,-2.4 161,-2.0 -2,-0.4 2,-0.3 -0.873 10.7-159.4-135.1 168.5 12.2 19.8 -10.2 8 8 A E E -A 167 0A 14 -2,-0.3 2,-0.3 159,-0.2 159,-0.2 -0.968 5.9-167.1-148.1 163.0 8.6 20.7 -10.8 9 9 A S E -A 166 0A 0 157,-3.1 157,-2.8 -2,-0.3 2,-0.3 -0.931 11.0-139.4-145.9 169.6 5.8 23.1 -9.7 10 10 A V E -A 165 0A 2 -2,-0.3 347,-0.4 155,-0.2 155,-0.2 -0.990 21.4-113.2-136.7 145.5 2.0 23.6 -10.1 11 11 A S > - 0 0 0 153,-3.0 3,-1.7 -2,-0.3 6,-0.2 -0.135 34.7-107.8 -67.1 166.2 -0.3 26.6 -10.5 12 12 A E T 3 S+ 0 0 27 1,-0.3 -1,-0.1 133,-0.2 151,-0.1 0.653 120.1 67.3 -69.6 -11.6 -2.7 27.7 -7.9 13 13 A G T 3 S+ 0 0 0 149,-0.8 -1,-0.3 148,-0.1 150,-0.2 0.415 73.5 112.6 -88.4 1.1 -5.2 26.3 -10.4 14 14 A H S <> S- 0 0 3 -3,-1.7 4,-2.8 148,-0.2 3,-0.2 -0.585 74.8-124.6 -77.1 133.5 -4.1 22.7 -9.9 15 15 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 225,-0.2 0.870 110.1 48.1 -41.4 -53.6 -6.6 20.4 -8.1 16 16 A D H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 227,-0.2 0.923 114.1 46.1 -57.5 -48.0 -4.2 19.3 -5.4 17 17 A K H > S+ 0 0 0 -3,-0.2 4,-3.2 -6,-0.2 -1,-0.2 0.861 105.7 60.3 -64.6 -35.4 -3.3 22.9 -4.7 18 18 A I H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.954 106.8 48.3 -56.0 -47.7 -6.9 24.0 -4.7 19 19 A A H X S+ 0 0 0 -4,-2.1 4,-3.6 1,-0.2 5,-0.2 0.976 111.2 48.7 -53.1 -63.0 -7.4 21.6 -1.9 20 20 A D H X S+ 0 0 0 -4,-2.1 4,-3.7 221,-0.3 5,-0.3 0.888 111.5 50.0 -41.8 -54.4 -4.4 22.9 0.0 21 21 A Q H X S+ 0 0 18 -4,-3.2 4,-1.7 334,-0.3 -1,-0.2 0.930 114.0 45.2 -53.8 -51.3 -5.6 26.5 -0.5 22 22 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 3,-0.4 0.958 113.4 50.0 -56.5 -55.4 -9.1 25.6 0.8 23 23 A S H X S+ 0 0 0 -4,-3.6 4,-1.7 1,-0.3 3,-0.2 0.932 116.5 40.2 -50.8 -53.4 -7.7 23.7 3.7 24 24 A D H X S+ 0 0 0 -4,-3.7 4,-1.9 1,-0.2 328,-0.6 0.714 110.2 61.3 -72.3 -17.0 -5.4 26.5 4.8 25 25 A A H X S+ 0 0 6 -4,-1.7 4,-1.9 -3,-0.4 -1,-0.2 0.870 104.8 47.6 -73.8 -37.9 -8.1 29.0 4.0 26 26 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 -3,-0.2 -2,-0.2 0.941 110.6 51.8 -67.5 -46.1 -10.3 27.4 6.6 27 27 A L H X S+ 0 0 0 -4,-1.7 4,-4.0 2,-0.2 5,-0.2 0.929 108.9 49.5 -55.4 -52.1 -7.6 27.4 9.2 28 28 A D H X S+ 0 0 23 -4,-1.9 4,-3.2 1,-0.2 5,-0.2 0.950 110.8 49.6 -52.8 -54.9 -6.7 31.1 8.8 29 29 A A H X S+ 0 0 29 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.926 116.0 44.0 -51.2 -48.1 -10.4 32.1 9.1 30 30 A I H >X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 3,-1.5 0.985 113.5 49.1 -61.3 -57.3 -10.6 29.9 12.3 31 31 A L H 3< S+ 0 0 2 -4,-4.0 -2,-0.2 1,-0.3 -1,-0.2 0.847 100.6 64.2 -51.4 -41.8 -7.3 31.1 13.7 32 32 A E H 3< S+ 0 0 148 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.890 114.2 35.3 -49.3 -39.5 -8.2 34.8 13.2 33 33 A Q H << S+ 0 0 101 -3,-1.5 -2,-0.3 -4,-1.0 -1,-0.2 0.795 138.0 14.5 -84.9 -32.9 -11.0 34.1 15.7 34 34 A D >< - 0 0 27 -4,-2.1 3,-1.1 -5,-0.1 -1,-0.3 -0.831 57.8-171.6-149.7 105.2 -9.1 31.6 17.9 35 35 A P T 3 S+ 0 0 59 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.786 88.7 53.9 -67.3 -29.6 -5.3 31.3 17.7 36 36 A K T 3 S+ 0 0 140 -5,-0.1 -5,-0.0 311,-0.1 311,-0.0 0.127 81.5 130.5 -94.4 21.1 -5.1 28.3 20.0 37 37 A A < - 0 0 2 -3,-1.1 2,-0.7 -10,-0.1 21,-0.2 -0.307 58.3-129.4 -69.4 154.9 -7.6 26.3 17.9 38 38 A R E +D 57 0B 18 19,-2.2 19,-2.5 229,-0.1 2,-0.5 -0.919 32.2 179.2-113.8 107.5 -6.8 22.7 16.9 39 39 A V E +D 56 0B 0 -2,-0.7 227,-1.4 17,-0.2 2,-0.4 -0.935 21.3 165.5-117.1 118.7 -7.3 22.3 13.2 40 40 A A E +DE 55 265B 7 15,-2.1 15,-1.8 -2,-0.5 2,-0.6 -0.722 24.0 174.4-128.4 78.9 -6.7 19.1 11.2 41 41 A C E -D 54 0B 1 223,-3.1 2,-0.5 -2,-0.4 13,-0.2 -0.805 12.2-174.9-100.5 117.3 -8.5 19.9 7.9 42 42 A E E -D 53 0B 18 11,-1.9 11,-2.3 -2,-0.6 2,-0.4 -0.922 8.8-159.2-112.0 127.0 -8.4 17.6 4.9 43 43 A T E -D 52 0B 0 -2,-0.5 199,-1.5 9,-0.2 2,-0.4 -0.872 8.1-166.9-113.1 138.0 -10.0 18.6 1.6 44 44 A Y E -DF 51 241B 0 7,-2.8 7,-4.0 -2,-0.4 2,-0.4 -0.971 11.8-171.1-118.9 128.6 -11.1 16.4 -1.4 45 45 A V E +DF 50 240B 0 195,-3.3 195,-3.3 -2,-0.4 2,-0.3 -0.975 14.2 148.6-130.9 127.7 -12.0 18.1 -4.7 46 46 A K E > -D 49 0B 5 3,-1.1 3,-2.2 -2,-0.4 190,-0.2 -0.893 58.2 -46.3-143.7 176.0 -13.5 16.6 -7.9 47 47 A T T 3 S- 0 0 17 188,-1.1 189,-0.2 1,-0.3 1195,-0.2 0.520 127.1 -2.3 -11.7 -62.1 -15.7 17.5 -10.9 48 48 A G T 3 S+ 0 0 2 1193,-0.1 42,-3.8 187,-0.1 1194,-0.4 0.316 121.7 62.9-128.5 15.2 -18.6 19.4 -9.3 49 49 A M E < -Dg 46 90B 4 -3,-2.2 -3,-1.1 40,-0.2 2,-0.3 -0.808 51.7-152.7-136.4 174.5 -17.8 19.3 -5.6 50 50 A V E -Dg 45 91B 0 40,-0.7 42,-3.5 -2,-0.3 2,-0.6 -0.957 15.7-156.7-147.4 124.3 -15.4 20.2 -2.8 51 51 A L E -Dg 44 92B 4 -7,-4.0 -7,-2.8 -2,-0.3 2,-0.6 -0.929 8.8-175.3-110.4 114.1 -15.2 18.1 0.4 52 52 A V E +Dg 43 93B 0 40,-2.8 42,-2.0 -2,-0.6 2,-0.2 -0.945 28.5 130.9-109.3 118.5 -13.9 19.8 3.5 53 53 A G E +Dg 42 94B 0 -11,-2.3 -11,-1.9 -2,-0.6 42,-0.3 -0.716 5.3 100.0-145.5-162.8 -13.5 17.4 6.4 54 54 A G E S-Dg 41 95B 0 40,-1.8 42,-2.9 -13,-0.2 2,-0.5 -0.779 75.8 -44.7 112.7-158.0 -11.3 16.2 9.2 55 55 A E E +Dg 40 96B 2 -15,-1.8 -15,-2.1 -2,-0.3 2,-0.4 -0.966 51.8 172.8-122.2 126.8 -11.2 17.1 12.9 56 56 A I E -D 39 0B 18 40,-3.5 2,-0.5 -2,-0.5 -17,-0.2 -0.998 10.1-179.3-134.2 128.0 -11.6 20.6 14.2 57 57 A T E +D 38 0B 58 -19,-2.5 -19,-2.2 -2,-0.4 2,-0.3 -0.920 32.4 130.3-129.2 101.8 -12.0 21.7 17.8 58 58 A T - 0 0 46 -2,-0.5 -2,-0.1 -21,-0.2 -21,-0.0 -0.950 59.0-133.9-146.8 164.4 -12.3 25.5 18.1 59 59 A S S S+ 0 0 89 -2,-0.3 2,-0.1 -29,-0.1 -1,-0.0 0.411 77.4 107.2 -97.9 -3.2 -14.5 28.1 19.8 60 60 A A - 0 0 9 -26,-0.1 2,-0.5 1,-0.0 -2,-0.2 -0.320 63.5-141.6 -74.4 156.6 -14.5 30.0 16.5 61 61 A W + 0 0 114 -31,-0.1 2,-0.3 -2,-0.1 -2,-0.0 -0.954 31.0 165.4-125.0 112.0 -17.6 30.2 14.3 62 62 A V - 0 0 34 -2,-0.5 2,-0.7 -29,-0.0 -36,-0.0 -0.847 37.6-124.4-127.4 162.0 -16.8 30.1 10.5 63 63 A D > - 0 0 49 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 -0.868 18.6-172.6-108.9 100.3 -18.7 29.6 7.3 64 64 A I H > S+ 0 0 25 -2,-0.7 4,-3.3 1,-0.2 5,-0.2 0.909 84.5 52.3 -55.3 -49.6 -17.1 26.8 5.2 65 65 A E H > S+ 0 0 28 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.940 113.6 43.2 -54.6 -52.5 -19.2 27.3 2.1 66 66 A E H > S+ 0 0 65 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.949 116.0 46.6 -59.1 -52.4 -18.3 31.0 2.0 67 67 A I H X S+ 0 0 30 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.915 119.0 43.9 -56.8 -44.0 -14.6 30.5 2.7 68 68 A T H X S+ 0 0 1 -4,-3.3 4,-2.8 -5,-0.2 5,-0.3 0.971 114.4 45.2 -65.6 -59.0 -14.6 27.7 0.2 69 69 A R H X S+ 0 0 15 -4,-3.7 4,-3.4 1,-0.2 -2,-0.2 0.937 117.1 47.0 -52.0 -49.6 -16.6 29.3 -2.7 70 70 A N H X S+ 0 0 62 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.881 111.3 51.2 -60.0 -41.4 -14.5 32.5 -2.2 71 71 A T H X S+ 0 0 5 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.923 115.6 40.9 -64.7 -42.9 -11.2 30.7 -2.1 72 72 A V H X>S+ 0 0 1 -4,-2.8 4,-2.1 2,-0.2 5,-0.6 0.950 111.9 57.5 -68.8 -47.7 -12.0 28.8 -5.4 73 73 A R H <5S+ 0 0 84 -4,-3.4 3,-0.2 -5,-0.3 -2,-0.2 0.927 107.5 46.8 -45.1 -54.3 -13.5 31.9 -6.9 74 74 A E H <5S+ 0 0 122 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.887 105.0 60.6 -58.6 -39.9 -10.2 33.8 -6.3 75 75 A I H <5S- 0 0 3 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.933 121.5-106.7 -54.6 -45.1 -8.2 30.8 -7.8 76 76 A G T <5S+ 0 0 16 -4,-2.1 2,-0.9 1,-0.2 -3,-0.2 0.212 77.4 124.7 145.2 -26.5 -10.2 31.4 -11.0 77 77 A Y < + 0 0 0 -5,-0.6 9,-2.4 1,-0.2 -1,-0.2 -0.542 23.8 137.7 -71.9 103.8 -12.8 28.8 -11.8 78 78 A V E +M 85 0C 62 -2,-0.9 2,-0.3 7,-0.3 7,-0.2 0.104 55.8 49.7-134.4 22.2 -16.0 30.8 -12.2 79 79 A H E > >S-M 84 0C 51 5,-1.2 3,-1.2 1,-0.1 5,-0.6 -0.978 74.8-123.2-158.7 147.8 -17.8 29.2 -15.2 80 80 A S G > 5S+ 0 0 18 -2,-0.3 3,-1.4 1,-0.3 5,-0.1 0.732 107.7 75.9 -64.9 -20.0 -18.8 25.7 -16.4 81 81 A D G 3 5S+ 0 0 91 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.866 97.2 44.1 -57.6 -38.3 -16.7 26.6 -19.4 82 82 A M G < 5S- 0 0 35 -3,-1.2 151,-0.3 2,-0.3 -1,-0.3 0.387 120.5-109.8 -88.9 2.4 -13.5 26.0 -17.4 83 83 A G T < 5S+ 0 0 7 -3,-1.4 2,-0.3 -4,-0.2 -3,-0.2 0.066 92.8 54.0 95.4 -26.0 -14.9 22.8 -15.8 84 84 A F E < -M 79 0C 3 -5,-0.6 -5,-1.2 151,-0.0 2,-0.3 -0.977 60.2-164.5-140.5 151.1 -15.4 24.0 -12.2 85 85 A D E > -M 78 0C 11 -2,-0.3 4,-2.2 -7,-0.2 3,-0.5 -0.896 18.0-152.5-146.4 115.7 -17.3 27.0 -10.8 86 86 A A T 4 S+ 0 0 0 -9,-2.4 -8,-0.1 -2,-0.3 -1,-0.1 0.789 101.3 47.5 -49.3 -35.1 -17.1 28.5 -7.3 87 87 A N T 4 S+ 0 0 67 -10,-0.2 -1,-0.2 1,-0.1 -9,-0.1 0.840 123.1 28.6 -79.3 -35.5 -20.7 29.8 -7.5 88 88 A S T 4 S+ 0 0 16 -3,-0.5 -2,-0.2 -19,-0.1 1149,-0.2 0.400 95.2 103.0-109.7 2.6 -22.3 26.6 -8.8 89 89 A C S < S- 0 0 6 -4,-2.2 2,-0.3 1,-0.1 -40,-0.2 -0.375 74.8-102.8 -81.8 163.8 -20.1 23.8 -7.4 90 90 A A E -g 49 0B 0 -42,-3.8 -40,-0.7 1110,-0.4 2,-0.5 -0.631 25.6-158.2 -88.3 144.9 -21.1 21.6 -4.4 91 91 A V E -g 50 0B 13 -2,-0.3 2,-0.3 -42,-0.2 -40,-0.2 -0.966 15.1-177.9-125.4 113.0 -19.6 22.2 -1.0 92 92 A L E -g 51 0B 13 -42,-3.5 -40,-2.8 -2,-0.5 2,-0.4 -0.798 8.2-158.1-110.3 153.0 -19.7 19.2 1.4 93 93 A S E +gH 52 861B 22 768,-1.4 768,-0.9 -2,-0.3 -40,-0.2 -0.984 23.7 165.4-139.3 128.6 -18.5 19.0 5.0 94 94 A A E +g 53 0B 8 -42,-2.0 -40,-1.8 -2,-0.4 2,-0.6 -0.592 28.7 153.2-134.1 70.2 -17.5 16.1 7.2 95 95 A I E +g 54 0B 47 -42,-0.3 -40,-0.2 764,-0.1 738,-0.2 -0.906 13.0 171.6-109.7 117.3 -15.8 17.8 10.1 96 96 A G E -g 55 0B 10 -42,-2.9 -40,-3.5 -2,-0.6 2,-0.2 -0.393 36.7 -88.1-106.1-171.3 -15.7 16.2 13.5 97 97 A K - 0 0 83 -42,-0.3 -40,-0.2 -2,-0.2 2,-0.1 -0.652 46.8 -88.2-101.6 158.4 -13.8 17.2 16.6 98 98 A Q - 0 0 14 -2,-0.2 -1,-0.1 -60,-0.2 523,-0.1 -0.375 49.8-102.5 -65.4 137.3 -10.3 16.2 17.7 99 99 A S >> - 0 0 9 522,-0.4 4,-2.1 1,-0.2 3,-0.9 -0.363 19.2-141.3 -61.2 129.6 -10.0 13.1 19.7 100 100 A P H 3> S+ 0 0 80 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.809 99.9 68.2 -62.2 -28.1 -9.5 13.8 23.4 101 101 A D H 34 S+ 0 0 7 2,-0.2 512,-0.4 1,-0.2 4,-0.3 0.835 105.9 39.0 -60.0 -36.0 -7.1 10.8 23.5 102 102 A I H X> S+ 0 0 17 -3,-0.9 3,-1.9 1,-0.1 4,-0.8 0.932 112.0 59.8 -77.4 -49.5 -4.7 12.8 21.3 103 103 A N H >X S+ 0 0 51 -4,-2.1 4,-2.2 1,-0.3 3,-0.6 0.770 93.9 60.8 -48.9 -38.5 -5.4 16.0 23.1 104 104 A Q H 3< S+ 0 0 78 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.796 107.7 47.8 -63.9 -25.9 -4.3 14.9 26.6 105 105 A G H <4 S+ 0 0 0 -3,-1.9 10,-0.6 -4,-0.3 -1,-0.3 0.656 117.0 42.5 -87.2 -17.4 -0.9 14.3 25.2 106 106 A V H << S+ 0 0 1 -4,-0.8 9,-1.0 -3,-0.6 2,-0.9 0.923 115.2 39.8 -91.2 -61.8 -0.8 17.7 23.4 107 107 A D S < S+ 0 0 45 -4,-2.2 -1,-0.3 7,-0.2 2,-0.2 -0.806 75.6 169.9 -95.3 104.1 -2.1 20.2 25.8 108 108 A R - 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