==== 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 LIGASE 26-MAR-99 1CG3 . COMPND 2 MOLECULE: PROTEIN (ADENYLOSUCCINATE SYNTHETASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR J.Y.CHOE,B.W.POLAND,H.FROMM,R.HONZATKO . 431 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 36 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 1 1 2 0 2 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 2 4 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 0 PARALLEL BRIDGES PER LADDER . 3 1 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 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 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 G 0 0 19 0, 0.0 430,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 157.8 -6.6 24.4 45.1 2 2 A N + 0 0 62 1,-0.2 216,-2.6 215,-0.1 2,-0.7 0.866 360.0 51.9 -77.7 -40.5 -8.8 25.2 42.1 3 3 A N E S+a 218 0A 2 255,-0.2 257,-1.9 214,-0.2 258,-1.9 -0.896 72.6 178.8-103.0 111.2 -10.6 28.1 43.7 4 4 A V E -ab 219 261A 0 214,-2.4 216,-2.6 -2,-0.7 2,-0.5 -0.929 15.6-150.8-115.6 134.9 -8.2 30.7 45.1 5 5 A V E -ab 220 262A 0 256,-3.1 258,-3.7 -2,-0.4 2,-0.6 -0.901 5.7-166.4-108.0 127.5 -9.2 34.0 46.8 6 6 A V E +ab 221 263A 0 214,-2.9 216,-3.5 -2,-0.5 2,-0.3 -0.953 25.8 154.3-112.4 112.0 -6.9 37.0 46.7 7 7 A L E - b 0 264A 0 256,-1.9 258,-2.8 -2,-0.6 2,-0.5 -0.886 46.2 -94.8-135.4 167.7 -7.9 39.8 49.2 8 8 A G E - b 0 265A 1 216,-0.4 218,-2.7 -2,-0.3 258,-0.1 -0.693 23.4-166.8 -83.6 124.8 -6.6 42.7 51.3 9 9 A T S S+ 0 0 0 256,-2.0 309,-0.2 -2,-0.5 -1,-0.1 0.607 77.4 26.2 -87.7 -8.0 -5.6 41.8 54.9 10 10 A Q S S- 0 0 8 255,-0.3 217,-2.6 214,-0.1 218,-0.3 0.496 125.6 -42.3-117.0-107.8 -5.4 45.5 56.1 11 11 A W S S- 0 0 6 1,-0.6 262,-0.4 260,-0.4 214,-0.2 -0.246 91.6 -89.3-126.5 43.6 -7.1 48.6 54.7 12 12 A G S S+ 0 0 4 212,-0.3 -1,-0.6 211,-0.1 259,-0.2 -0.151 100.3 82.7 78.2-179.4 -6.7 47.9 51.0 13 13 A D + 0 0 38 27,-0.1 -1,-0.1 1,-0.1 212,-0.1 0.633 52.7 127.6 52.2 27.2 -3.9 49.0 48.7 14 14 A E S S- 0 0 1 210,-0.2 -1,-0.1 251,-0.1 252,-0.1 0.758 88.6 -88.1 -77.0 -30.5 -1.8 46.0 49.8 15 15 A G S > S+ 0 0 29 250,-0.1 4,-1.7 315,-0.1 5,-0.1 0.658 72.2 148.8 121.5 43.8 -1.2 45.0 46.2 16 16 A K H > S+ 0 0 6 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.945 71.4 57.1 -68.4 -49.6 -4.1 42.7 45.0 17 17 A G H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.930 109.0 46.0 -49.4 -52.2 -4.0 43.8 41.4 18 18 A K H > S+ 0 0 13 24,-0.4 4,-3.1 1,-0.2 -1,-0.2 0.975 114.6 46.1 -56.7 -56.2 -0.4 42.8 41.0 19 19 A I H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.845 114.0 48.8 -59.5 -32.5 -0.8 39.5 42.7 20 20 A V H X S+ 0 0 0 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.976 112.4 47.3 -70.8 -52.6 -3.9 38.6 40.8 21 21 A D H < S+ 0 0 1 -4,-2.9 3,-0.2 -5,-0.3 -2,-0.2 0.902 113.7 51.2 -52.5 -43.3 -2.4 39.6 37.4 22 22 A L H >< S+ 0 0 24 -4,-3.1 3,-0.7 -5,-0.3 -1,-0.2 0.950 115.7 37.5 -58.5 -55.8 0.7 37.5 38.4 23 23 A L H >< S+ 0 0 7 -4,-2.4 3,-1.1 1,-0.2 4,-0.3 0.528 95.6 80.8 -77.9 -9.4 -1.1 34.3 39.4 24 24 A T T 3< + 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.443 62.4 96.9 -80.4 7.2 -3.8 34.3 36.7 25 25 A E T < S+ 0 0 123 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.852 96.5 32.6 -60.2 -31.6 -1.4 32.9 34.2 26 26 A R S < S+ 0 0 96 -3,-1.1 191,-0.3 192,-0.0 -1,-0.2 0.576 101.5 105.7-100.2 -13.8 -2.9 29.5 35.0 27 27 A A - 0 0 2 -4,-0.3 191,-0.2 1,-0.1 3,-0.1 -0.307 50.4-163.1 -74.0 151.6 -6.5 30.7 35.7 28 28 A K S S+ 0 0 101 189,-3.1 37,-2.8 1,-0.3 2,-0.3 0.796 81.5 20.9 -93.5 -43.9 -9.6 30.3 33.5 29 29 A Y E -cd 65 218A 30 188,-1.5 190,-2.0 35,-0.2 2,-0.4 -0.916 57.1-161.1-128.1 158.6 -11.6 32.9 35.3 30 30 A V E -cd 66 219A 0 35,-1.7 37,-2.6 -2,-0.3 2,-0.5 -0.997 19.8-161.2-135.8 126.0 -11.0 35.9 37.5 31 31 A V E -cd 67 220A 0 188,-3.4 190,-3.0 -2,-0.4 2,-0.4 -0.954 15.8-159.7-124.7 122.9 -14.0 37.2 39.6 32 32 A R E +cd 68 221A 0 35,-2.2 37,-3.1 -2,-0.5 40,-0.3 -0.804 17.7 174.4 -88.6 133.4 -14.6 40.5 41.4 33 33 A Y + 0 0 0 188,-0.8 2,-0.3 -2,-0.4 -1,-0.1 0.495 54.5 18.6-122.1 -8.7 -17.2 39.9 44.0 34 34 A Q S S+ 0 0 6 187,-0.4 38,-0.3 37,-0.1 -1,-0.2 -0.981 91.7 37.4-157.2 163.6 -17.6 43.2 46.0 35 35 A G B -j 72 0B 0 36,-0.5 38,-2.9 -2,-0.3 2,-0.2 -0.425 60.3-130.9 89.0-167.8 -16.9 46.9 45.8 36 36 A G > - 0 0 0 36,-0.2 3,-0.7 -2,-0.1 38,-0.1 -0.471 60.7 -37.5-152.2-134.1 -17.1 49.0 42.7 37 37 A H T 3 S+ 0 0 23 1,-0.2 17,-0.2 36,-0.2 37,-0.1 0.109 109.8 92.6 -95.0 21.1 -14.8 51.5 41.1 38 38 A N T 3 S+ 0 0 14 15,-0.1 -1,-0.2 16,-0.0 263,-0.2 0.690 72.2 91.4 -79.8 -21.2 -13.6 52.8 44.5 39 39 A A < - 0 0 3 -3,-0.7 2,-0.4 14,-0.2 184,-0.0 -0.446 59.7-168.0 -74.8 147.1 -10.9 50.2 44.0 40 40 A G - 0 0 7 -2,-0.1 2,-0.6 14,-0.1 259,-0.3 -0.904 9.4-178.5-137.2 98.8 -7.6 51.2 42.3 41 41 A H E -K 52 0C 9 11,-2.9 11,-3.0 -2,-0.4 2,-0.5 -0.926 14.0-150.7-106.3 111.5 -5.7 48.0 41.5 42 42 A T E -K 51 0C 51 -2,-0.6 -24,-0.4 9,-0.2 2,-0.4 -0.735 13.7-175.9 -93.6 124.5 -2.3 48.7 39.9 43 43 A L E -K 50 0C 0 7,-3.9 7,-2.7 -2,-0.5 2,-0.4 -0.873 3.9-169.3-111.7 144.3 -0.6 46.3 37.4 44 44 A V E -K 49 0C 19 373,-0.4 375,-2.5 -2,-0.4 2,-0.5 -0.921 5.2-179.4-141.0 109.2 2.8 46.9 36.0 45 45 A I E > S-K 48 0C 35 3,-3.0 3,-2.5 -2,-0.4 373,-0.1 -0.943 76.3 -24.4-113.5 113.5 4.0 44.7 33.1 46 46 A N T 3 S- 0 0 145 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.941 128.6 -50.2 49.6 46.5 7.5 45.3 31.7 47 47 A G T 3 S+ 0 0 60 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.194 111.3 124.2 81.6 -21.6 7.2 48.8 33.1 48 48 A E E < -K 45 0C 109 -3,-2.5 -3,-3.0 1,-0.0 2,-0.3 -0.671 51.6-146.4 -80.9 125.1 3.9 49.5 31.5 49 49 A K E +K 44 0C 128 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.626 21.6 175.6 -95.1 141.1 1.3 50.5 34.1 50 50 A T E -K 43 0C 5 -7,-2.7 -7,-3.9 -2,-0.3 2,-0.5 -0.980 10.4-164.8-140.7 132.1 -2.4 49.8 34.2 51 51 A V E -K 42 0C 39 -2,-0.4 2,-0.3 -9,-0.3 -9,-0.2 -0.992 12.9-164.3-119.7 116.2 -4.6 50.8 37.1 52 52 A L E +K 41 0C 1 -11,-3.0 -11,-2.9 -2,-0.5 -35,-0.1 -0.685 15.9 172.9 -98.4 155.6 -8.0 49.1 37.1 53 53 A H S S+ 0 0 41 -2,-0.3 -14,-0.2 -13,-0.2 -1,-0.2 0.557 80.2 2.2-124.2 -69.9 -11.0 50.2 39.1 54 54 A L S S+ 0 0 0 -17,-0.2 -22,-0.1 24,-0.1 -2,-0.1 0.793 112.6 88.1 -90.2 -31.9 -14.2 48.2 38.3 55 55 A I S S- 0 0 1 1,-0.1 4,-0.1 24,-0.1 -19,-0.0 -0.488 86.5-107.6 -75.4 129.0 -12.6 45.9 35.7 56 56 A P > - 0 0 0 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.121 23.0-119.8 -53.3 152.6 -11.1 42.6 37.0 57 57 A S G > S+ 0 0 0 1,-0.3 3,-0.5 2,-0.1 -33,-0.1 0.528 104.7 69.3 -72.9 -7.3 -7.3 42.3 37.0 58 58 A G G > + 0 0 0 1,-0.2 3,-2.3 2,-0.1 6,-0.3 0.517 69.8 102.6 -88.0 2.0 -7.1 39.2 34.7 59 59 A I G < S+ 0 0 0 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.663 70.1 61.8 -59.8 -16.6 -8.2 41.5 31.8 60 60 A L G < S+ 0 0 39 -3,-0.5 2,-0.6 1,-0.1 -1,-0.3 0.523 92.0 75.8 -90.4 -0.4 -4.7 41.7 30.4 61 61 A R X - 0 0 24 -3,-2.3 3,-1.2 1,-0.1 -1,-0.1 -0.935 65.0-159.0-113.4 116.1 -4.5 38.0 29.8 62 62 A E T 3 S+ 0 0 144 -2,-0.6 -1,-0.1 1,-0.2 -3,-0.0 0.746 90.2 65.1 -66.8 -17.6 -6.5 36.6 26.8 63 63 A N T 3 S+ 0 0 76 -5,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.771 95.1 72.2 -75.8 -18.5 -6.5 33.2 28.3 64 64 A V S < S- 0 0 2 -3,-1.2 2,-0.6 -6,-0.3 -35,-0.2 -0.660 72.3-141.1-101.5 148.9 -8.6 34.3 31.2 65 65 A T E -c 29 0A 45 -37,-2.8 -35,-1.7 -2,-0.3 2,-0.4 -0.956 20.6-144.1-107.4 115.5 -12.3 35.3 31.3 66 66 A S E -ce 30 97A 0 30,-2.5 32,-2.6 -2,-0.6 2,-0.4 -0.690 18.4-169.7 -85.6 132.3 -12.9 38.3 33.5 67 67 A I E -ce 31 98A 0 -37,-2.6 -35,-2.2 -2,-0.4 2,-0.7 -0.981 19.1-151.0-127.4 134.1 -16.2 38.3 35.5 68 68 A I E -ce 32 99A 0 30,-2.1 32,-2.1 -2,-0.4 35,-0.2 -0.915 29.5-143.8-104.3 105.2 -17.9 41.0 37.5 69 69 A G > - 0 0 0 -37,-3.1 3,-2.1 -2,-0.7 183,-0.2 -0.213 23.8-102.4 -70.4 160.6 -20.0 39.2 40.2 70 70 A N T 3 S+ 0 0 37 1,-0.3 182,-0.2 182,-0.2 181,-0.1 0.649 115.6 68.0 -55.2 -22.1 -23.4 40.2 41.6 71 71 A G T 3 S+ 0 0 6 180,-2.4 -36,-0.5 -39,-0.2 -1,-0.3 0.769 82.1 93.2 -72.4 -23.2 -21.7 41.6 44.8 72 72 A V B < S-j 35 0B 0 -3,-2.1 2,-0.7 179,-0.4 -36,-0.2 -0.441 74.2-135.8 -74.1 139.2 -20.1 44.4 42.8 73 73 A V - 0 0 0 -38,-2.9 2,-0.5 30,-0.2 -36,-0.2 -0.905 31.0-150.2 -94.3 117.0 -21.9 47.7 42.5 74 74 A L B -l 105 0D 0 30,-2.8 32,-2.5 -2,-0.7 3,-0.1 -0.859 16.2-159.4-105.7 124.0 -21.5 48.7 38.9 75 75 A S > - 0 0 11 -2,-0.5 4,-3.3 30,-0.2 5,-0.2 -0.811 6.2-158.9 -96.4 103.9 -21.3 52.1 37.3 76 76 A P H > S+ 0 0 6 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.852 96.9 50.4 -49.3 -36.5 -22.2 52.0 33.6 77 77 A A H > S+ 0 0 68 29,-0.4 4,-2.2 2,-0.2 5,-0.2 0.951 112.9 44.6 -66.6 -49.3 -20.3 55.4 33.2 78 78 A A H > S+ 0 0 13 28,-0.2 4,-2.5 2,-0.2 5,-0.3 0.950 113.2 51.7 -59.3 -51.8 -17.2 54.0 35.0 79 79 A L H X S+ 0 0 0 -4,-3.3 4,-3.1 2,-0.2 -2,-0.2 0.933 110.5 46.0 -50.4 -58.6 -17.3 50.8 33.0 80 80 A M H X S+ 0 0 29 -4,-2.3 4,-2.9 -5,-0.2 5,-0.2 0.932 112.1 51.9 -53.2 -51.2 -17.5 52.4 29.6 81 81 A K H X S+ 0 0 128 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.917 114.6 42.0 -52.0 -50.6 -14.7 54.8 30.4 82 82 A E H X S+ 0 0 11 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.907 113.1 54.4 -64.0 -42.2 -12.4 52.0 31.6 83 83 A M H X S+ 0 0 5 -4,-3.1 4,-2.1 -5,-0.3 10,-0.3 0.904 108.7 48.1 -57.1 -44.8 -13.5 49.9 28.7 84 84 A K H X S+ 0 0 109 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.931 110.2 50.8 -63.3 -49.0 -12.6 52.6 26.1 85 85 A E H < S+ 0 0 90 -4,-2.0 4,-0.4 -5,-0.2 -1,-0.2 0.826 113.1 46.0 -59.3 -35.9 -9.1 53.3 27.6 86 86 A L H ><>S+ 0 0 7 -4,-1.9 5,-2.7 2,-0.2 3,-0.6 0.875 111.3 51.3 -77.0 -37.3 -8.2 49.6 27.6 87 87 A E H ><5S+ 0 0 49 -4,-2.1 3,-2.3 1,-0.2 -2,-0.2 0.920 104.8 55.4 -63.4 -46.8 -9.4 49.0 24.1 88 88 A D T 3<5S+ 0 0 108 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.689 106.6 54.7 -59.0 -19.6 -7.4 51.9 22.8 89 89 A R T < 5S- 0 0 93 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.085 128.7 -99.3-100.2 19.1 -4.4 50.1 24.4 90 90 A G T < 5S+ 0 0 61 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.500 82.0 131.5 79.4 4.5 -5.2 46.9 22.5 91 91 A I < - 0 0 17 -5,-2.7 2,-2.5 -6,-0.1 -1,-0.2 -0.839 52.0-145.7 -93.4 110.2 -7.1 45.0 25.2 92 92 A P >> + 0 0 35 0, 0.0 3,-2.0 0, 0.0 4,-1.0 -0.373 26.2 176.6 -72.2 65.2 -10.3 43.6 23.6 93 93 A V H >> S+ 0 0 0 -2,-2.5 4,-2.2 -10,-0.3 3,-1.3 0.828 71.0 54.7 -37.8 -56.7 -12.3 44.1 26.9 94 94 A R H 34 S+ 0 0 122 1,-0.3 -1,-0.3 2,-0.2 -11,-0.0 0.738 106.0 53.9 -57.4 -25.5 -15.7 43.0 25.6 95 95 A E H <4 S+ 0 0 169 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.769 120.0 32.0 -79.7 -24.0 -14.3 39.7 24.3 96 96 A R H << S+ 0 0 43 -3,-1.3 -30,-2.5 -4,-1.0 2,-0.4 0.523 103.8 87.0-108.5 -11.4 -12.8 38.9 27.8 97 97 A L E < +e 66 0A 1 -4,-2.2 2,-0.3 -5,-0.2 -30,-0.2 -0.811 43.4 169.7-104.5 134.2 -15.4 40.5 30.1 98 98 A L E -e 67 0A 50 -32,-2.6 -30,-2.1 -2,-0.4 2,-0.3 -0.950 11.6-168.2-130.4 153.1 -18.6 39.0 31.4 99 99 A L E -ef 68 201A 0 101,-3.7 103,-2.1 -2,-0.3 2,-0.3 -0.962 22.0-103.3-146.9 161.6 -21.0 40.3 34.1 100 100 A S > - 0 0 9 -32,-2.1 3,-1.2 -2,-0.3 48,-0.3 -0.608 11.7-146.8 -86.8 140.7 -23.9 39.5 36.5 101 101 A E T 3 S+ 0 0 91 101,-0.5 48,-2.7 -2,-0.3 49,-0.3 0.682 100.3 65.9 -74.9 -16.6 -27.5 40.7 35.9 102 102 A A T 3 S+ 0 0 21 46,-0.2 -1,-0.3 45,-0.2 -33,-0.1 0.523 72.6 116.4 -82.2 -7.3 -27.8 40.9 39.6 103 103 A C < - 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0 0 22 -6,-1.0 2,-0.3 -5,-0.3 -39,-0.1 -0.432 62.2-122.0 -78.2 152.5 -32.0 49.9 43.4 146 146 A L - 0 0 5 -41,-0.3 -41,-3.2 -2,-0.1 2,-0.2 -0.701 27.5-162.1 -90.8 146.2 -31.7 49.2 39.7 147 147 A R B > -M 104 0E 118 -2,-0.3 4,-0.8 -43,-0.3 3,-0.2 -0.732 35.1-102.7-120.2 169.7 -29.8 46.2 38.6 148 148 A V T >4 S+ 0 0 0 -45,-1.6 3,-1.3 -47,-0.3 4,-0.2 0.919 119.0 62.8 -60.1 -42.5 -28.2 45.2 35.3 149 149 A G G >4 S+ 0 0 19 -48,-2.7 3,-2.7 1,-0.3 -1,-0.2 0.890 92.8 64.0 -50.6 -42.7 -31.1 42.8 34.6 150 150 A D G >4 S+ 0 0 31 -49,-0.3 3,-2.4 1,-0.3 7,-0.3 0.882 87.0 70.4 -50.6 -39.2 -33.5 45.8 34.7 151 151 A L G << S+ 0 0 2 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.578 81.6 79.0 -56.0 -7.2 -31.8 47.2 31.6 152 152 A F G < S+ 0 0 120 -3,-2.7 2,-0.4 1,-0.2 -1,-0.3 0.657 96.3 40.5 -78.9 -15.6 -33.4 44.3 29.7 153 153 A D S <> S- 0 0 79 -3,-2.4 4,-1.8 -4,-0.2 -1,-0.2 -0.937 73.1-168.5-132.5 105.5 -36.8 46.0 29.5 154 154 A K H > S+ 0 0 94 -2,-0.4 4,-2.2 2,-0.2 5,-0.1 0.854 82.2 48.5 -68.3 -36.1 -36.3 49.7 28.7 155 155 A E H > S+ 0 0 156 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.972 113.6 47.4 -67.9 -51.2 -39.8 51.0 29.4 156 156 A T H > S+ 0 0 40 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.892 110.2 55.5 -52.6 -43.1 -40.1 49.2 32.7 157 157 A F H X S+ 0 0 0 -4,-1.8 4,-3.1 -7,-0.3 -1,-0.2 0.936 105.7 50.5 -56.5 -50.1 -36.6 50.6 33.5 158 158 A A H X S+ 0 0 23 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.912 110.3 50.0 -54.6 -48.9 -37.8 54.2 32.8 159 159 A E H >X S+ 0 0 127 -4,-2.5 4,-1.7 1,-0.2 3,-0.7 0.990 114.2 43.8 -52.1 -64.1 -40.7 53.6 35.2 160 160 A K H 3X S+ 0 0 85 -4,-2.7 4,-1.9 1,-0.3 5,-0.2 0.824 112.8 52.7 -50.7 -42.6 -38.5 52.2 38.0 161 161 A L H 3X S+ 0 0 0 -4,-3.1 4,-2.5 -5,-0.2 -1,-0.3 0.879 104.9 53.5 -64.7 -40.1 -35.9 54.9 37.5 162 162 A K H S+ 0 0 136 -4,-2.2 4,-2.3 -5,-0.3 5,-0.6 0.974 111.7 37.9 -57.6 -56.6 -36.7 65.0 47.2 171 171 A Q H X>S+ 0 0 30 -4,-1.5 5,-2.9 1,-0.2 4,-0.5 0.823 114.4 58.1 -65.9 -31.4 -34.2 64.3 50.0 172 172 A L H <5S+ 0 0 1 -4,-2.0 6,-3.9 3,-0.2 -1,-0.2 0.918 119.5 26.3 -65.7 -44.6 -31.4 65.9 47.9 173 173 A V H X5S+ 0 0 54 -4,-2.8 4,-0.7 4,-0.3 -2,-0.2 0.959 131.2 35.6 -84.6 -51.8 -33.1 69.3 47.6 174 174 A N H <5S+ 0 0 79 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.1 0.921 131.4 24.6 -69.4 -48.9 -35.4 69.4 50.6 175 175 A Y T < - 0 0 103 -2,-0.5 4,-2.0 1,-0.1 5,-0.2 -0.431 16.5-152.7 -67.9 123.9 -32.1 65.3 36.2 183 183 A Y H > S+ 0 0 46 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.926 91.9 52.0 -57.0 -54.8 -34.1 62.2 35.4 184 184 A Q H > S+ 0 0 93 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.876 110.1 50.5 -54.9 -39.7 -34.0 62.6 31.6 185 185 A K H > S+ 0 0 115 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.968 110.0 47.2 -65.0 -53.0 -30.3 62.9 31.5 186 186 A V H X S+ 0 0 5 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.932 115.2 48.3 -54.4 -45.6 -29.6 59.8 33.7 187 187 A L H X S+ 0 0 22 -4,-2.7 4,-3.5 -5,-0.2 5,-0.2 0.962 114.4 44.5 -61.4 -49.9 -32.1 57.8 31.6 188 188 A D H X S+ 0 0 88 -4,-3.0 4,-1.6 -5,-0.2 -2,-0.2 0.963 114.9 48.0 -59.0 -52.7 -30.5 59.0 28.3 189 189 A D H X S+ 0 0 69 -4,-3.3 4,-0.7 1,-0.2 3,-0.4 0.940 117.2 42.6 -51.3 -54.6 -26.9 58.5 29.5 190 190 A T H >X S+ 0 0 8 -4,-2.8 3,-1.2 -5,-0.3 4,-1.1 0.930 110.3 54.5 -61.7 -49.1 -27.7 55.0 30.8 191 191 A M H 3< S+ 0 0 45 -4,-3.5 4,-0.4 -5,-0.3 -1,-0.2 0.772 97.4 69.1 -59.8 -21.7 -29.9 53.9 27.8 192 192 A A H 3< S+ 0 0 82 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.872 113.5 24.7 -65.4 -35.3 -26.9 54.8 25.5 193 193 A V H XX S+ 0 0 27 -3,-1.2 4,-2.0 -4,-0.7 3,-0.6 0.420 89.2 108.7-109.1 2.0 -24.8 51.9 26.8 194 194 A A H 3X S+ 0 0 0 -4,-1.1 4,-2.8 1,-0.2 5,-0.2 0.884 80.9 49.6 -43.4 -51.5 -27.5 49.6 27.9 195 195 A D H 3> S+ 0 0 99 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.849 107.1 52.4 -59.3 -42.1 -26.9 47.2 25.0 196 196 A I H <> S+ 0 0 42 -3,-0.6 4,-0.5 2,-0.2 -1,-0.2 0.962 114.7 43.2 -61.1 -49.7 -23.1 46.9 25.5 197 197 A L H >< S+ 0 0 0 -4,-2.0 3,-3.2 1,-0.2 4,-0.3 0.986 112.8 52.2 -56.5 -62.1 -23.6 46.0 29.2 198 198 A T H >< S+ 0 0 30 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.780 100.1 64.0 -42.9 -37.7 -26.5 43.6 28.5 199 199 A S H 3< S+ 0 0 82 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.717 101.0 51.6 -65.7 -20.3 -24.3 41.9 25.9 200 200 A M T << S+ 0 0 3 -3,-3.2 -101,-3.7 -4,-0.5 -1,-0.3 0.307 80.1 124.7-100.1 8.1 -21.9 40.8 28.6 201 201 A V B < +f 99 0A 34 -3,-1.6 2,-0.3 -4,-0.3 -101,-0.2 -0.467 29.0 164.1 -71.9 137.3 -24.5 39.2 31.0 202 202 A V - 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