==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 24-OCT-12 4HPP . COMPND 2 MOLECULE: PROBABLE GLUTAMINE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.E.LADNER,V.ATANASOVA,Z.DOLEZELOVA,J.F.PARSONS . 427 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19016.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 1 0.2 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 . 26 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 2 1 1 0 1 1 0 1 0 0 1 0 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 0 PARALLEL BRIDGES PER LADDER . 4 1 3 4 1 0 1 0 1 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 2 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 M 0 0 247 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -55.9 6.5 -18.1 36.2 2 2 A N - 0 0 130 0, 0.0 2,-0.8 0, 0.0 0, 0.0 -0.985 360.0-124.6-129.1 135.5 9.6 -16.3 35.0 3 3 A R - 0 0 221 -2,-0.4 0, 0.0 1,-0.0 0, 0.0 -0.780 39.2-126.9 -81.3 115.0 10.1 -15.0 31.5 4 4 A L - 0 0 140 -2,-0.8 -1,-0.0 1,-0.1 0, 0.0 -0.137 16.0-128.3 -64.7 158.3 13.3 -16.7 30.3 5 5 A Q - 0 0 146 1,-0.0 2,-0.1 3,-0.0 -1,-0.1 -0.804 18.9-111.2-104.0 143.4 16.3 -14.9 28.9 6 6 A P - 0 0 114 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.388 49.1 -97.1 -57.8 145.8 18.3 -15.5 25.6 7 7 A V - 0 0 99 -2,-0.1 2,-0.6 1,-0.1 0, 0.0 -0.483 32.6-122.2 -72.8 142.5 21.8 -16.8 26.3 8 8 A R - 0 0 58 -2,-0.1 20,-2.8 -3,-0.1 2,-0.3 -0.822 30.2-153.5 -83.3 123.6 24.5 -14.2 26.4 9 9 A L E -A 27 0A 93 -2,-0.6 2,-0.5 18,-0.2 81,-0.4 -0.770 4.0-152.5 -96.1 139.1 27.1 -15.2 23.7 10 10 A V E -A 26 0A 0 16,-2.8 16,-2.0 -2,-0.3 2,-0.4 -0.956 12.7-149.3-108.7 130.2 30.8 -14.2 24.0 11 11 A S E -Ab 25 91A 38 79,-2.6 81,-2.1 -2,-0.5 2,-0.5 -0.793 8.6-152.3 -96.3 142.1 32.8 -13.9 20.8 12 12 A F E -Ab 24 92A 0 12,-2.4 12,-1.4 -2,-0.4 2,-0.3 -0.969 31.5-172.2 -98.6 124.9 36.5 -14.5 20.2 13 13 A V E -Ab 23 93A 13 79,-2.5 81,-1.8 -2,-0.5 2,-0.3 -0.819 23.9-172.8-118.2 156.5 37.6 -12.3 17.2 14 14 A T E -A 22 0A 8 8,-2.4 8,-2.8 -2,-0.3 2,-0.6 -0.966 22.7-136.4-136.9 150.9 40.5 -11.7 15.0 15 15 A T E -A 21 0A 5 -2,-0.3 6,-0.3 6,-0.3 94,-0.2 -0.959 31.2-146.2-108.5 116.8 40.8 -9.0 12.4 16 16 A D > - 0 0 8 4,-3.4 3,-2.1 -2,-0.6 328,-0.2 -0.091 28.8 -94.4 -86.9-174.9 42.3 -10.5 9.3 17 17 A L T 3 S+ 0 0 3 1,-0.3 324,-0.2 2,-0.2 -1,-0.1 0.631 124.6 63.9 -76.2 -12.4 44.6 -9.1 6.7 18 18 A A T 3 S- 0 0 0 2,-0.2 -1,-0.3 30,-0.1 3,-0.1 0.363 118.7-112.5 -88.2 1.6 41.5 -8.2 4.7 19 19 A G S < S+ 0 0 5 -3,-2.1 2,-0.4 1,-0.3 -2,-0.2 0.653 76.6 131.5 72.2 18.2 40.5 -5.8 7.6 20 20 A I - 0 0 41 321,-0.1 -4,-3.4 319,-0.0 2,-0.6 -0.847 52.9-139.4 -99.6 137.4 37.5 -8.0 8.5 21 21 A T E +A 15 0A 28 -2,-0.4 2,-0.3 -6,-0.3 -6,-0.3 -0.884 32.0 169.9-100.7 123.8 36.9 -9.0 12.1 22 22 A R E +A 14 0A 44 -8,-2.8 -8,-2.4 -2,-0.6 2,-0.3 -0.832 5.3 129.0-131.7 153.9 35.7 -12.6 12.4 23 23 A G E -A 13 0A 34 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.971 41.1-100.6-178.2-157.4 35.2 -15.1 15.1 24 24 A R E -A 12 0A 109 -12,-1.4 -12,-2.4 -2,-0.3 2,-0.3 -0.953 28.9-138.5-147.2 154.1 33.0 -17.6 16.9 25 25 A S E -A 11 0A 62 -2,-0.3 -14,-0.2 -14,-0.2 66,-0.1 -0.831 12.9-172.8-130.6 161.8 30.9 -17.5 20.0 26 26 A L E -A 10 0A 18 -16,-2.0 -16,-2.8 -2,-0.3 2,-0.1 -0.923 41.4 -80.8-140.9 160.0 30.1 -19.5 23.1 27 27 A P E > -A 9 0A 59 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.461 41.4-120.5 -66.3 140.3 27.6 -19.2 26.0 28 28 A L G > S+ 0 0 73 -20,-2.8 3,-2.8 1,-0.3 4,-0.3 0.890 110.1 65.8 -43.1 -45.9 28.8 -16.8 28.8 29 29 A A G 3 S+ 0 0 81 1,-0.3 -1,-0.3 -21,-0.2 4,-0.2 0.689 103.1 48.5 -53.1 -20.3 28.8 -19.7 31.4 30 30 A T G <> S+ 0 0 46 -3,-2.4 4,-2.9 1,-0.1 -1,-0.3 0.463 79.1 101.3-100.4 -4.4 31.6 -21.4 29.4 31 31 A L H <> S+ 0 0 12 -3,-2.8 4,-2.0 -4,-0.3 -1,-0.1 0.899 81.2 49.4 -53.1 -54.4 33.8 -18.4 29.1 32 32 A E H > S+ 0 0 144 -4,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.880 114.0 44.5 -48.0 -52.0 36.3 -19.4 31.9 33 33 A E H >4 S+ 0 0 121 -4,-0.2 3,-0.6 1,-0.2 4,-0.5 0.930 116.1 49.7 -62.1 -38.1 36.7 -22.9 30.6 34 34 A Q H >X S+ 0 0 62 -4,-2.9 4,-2.2 1,-0.2 3,-0.6 0.772 89.8 79.0 -75.4 -27.0 37.1 -21.6 27.1 35 35 A L H 3< S+ 0 0 50 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.798 92.9 48.3 -52.3 -40.4 39.7 -18.9 27.8 36 36 A A T << S+ 0 0 91 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.1 0.835 122.2 31.6 -73.4 -34.3 42.8 -21.2 27.9 37 37 A S T <4 S- 0 0 47 -3,-0.6 -2,-0.2 -4,-0.5 -1,-0.2 0.603 90.1-164.6 -92.7 -20.0 42.1 -23.2 24.7 38 38 A G < - 0 0 0 -4,-2.2 2,-0.3 29,-0.1 -1,-0.3 -0.423 38.3 -64.4 58.9-141.4 40.4 -20.3 22.8 39 39 A C E -D 68 0B 13 29,-1.6 29,-2.9 1,-0.1 -15,-0.0 -0.927 53.6 -87.6-134.8 157.4 38.4 -21.7 19.8 40 40 A G E +D 67 0B 11 -2,-0.3 2,-0.3 27,-0.2 27,-0.2 -0.082 42.5 178.9 -59.3 158.9 39.4 -23.4 16.6 41 41 A W E -D 66 0B 19 25,-1.5 25,-2.3 26,-0.0 3,-0.1 -0.961 25.3-125.6-160.4 156.6 40.3 -21.4 13.4 42 42 A V > - 0 0 60 -2,-0.3 3,-1.7 23,-0.2 4,-0.3 -0.913 10.5-144.0-114.2 125.7 41.4 -22.3 9.9 43 43 A P G > S+ 0 0 4 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.850 97.4 66.9 -58.1 -34.3 44.7 -20.9 8.5 44 44 A A G > S+ 0 0 18 16,-0.3 3,-1.6 1,-0.3 17,-0.1 0.647 82.1 76.6 -64.0 -15.4 43.2 -20.6 5.0 45 45 A N G X S+ 0 0 37 -3,-1.7 3,-1.8 1,-0.3 -1,-0.3 0.802 84.6 65.6 -62.4 -29.7 40.8 -17.9 6.3 46 46 A S G < S+ 0 0 8 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.598 94.3 58.6 -71.6 -9.6 43.8 -15.6 6.2 47 47 A S G < S+ 0 0 5 -3,-1.6 8,-0.4 -4,-0.2 2,-0.3 0.332 77.8 121.1 -95.8 7.7 43.8 -15.9 2.4 48 48 A L < - 0 0 26 -3,-1.8 6,-0.2 6,-0.1 -30,-0.1 -0.616 53.1-147.8 -74.1 131.9 40.2 -14.6 2.0 49 49 A T > - 0 0 0 4,-1.9 3,-2.3 -2,-0.3 -31,-0.1 -0.339 36.6 -91.5 -81.7 169.8 40.0 -11.5 -0.1 50 50 A P T 3 S+ 0 0 8 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.831 129.2 58.3 -54.9 -25.3 37.4 -8.8 0.5 51 51 A Q T 3 S- 0 0 36 2,-0.1 -3,-0.0 1,-0.0 356,-0.0 0.311 119.6-111.1 -90.8 9.9 35.1 -10.7 -1.9 52 52 A D S < S+ 0 0 100 -3,-2.3 2,-0.4 1,-0.2 -4,-0.1 0.662 73.8 130.5 73.2 23.5 35.3 -13.8 0.3 53 53 A L - 0 0 89 350,-0.1 -4,-1.9 -6,-0.1 2,-0.4 -0.840 43.0-155.4-111.0 143.2 37.3 -15.9 -2.2 54 54 A I - 0 0 72 -2,-0.4 2,-0.2 -6,-0.2 -6,-0.1 -0.937 14.4-145.8-107.5 137.1 40.4 -18.0 -1.6 55 55 A D > - 0 0 64 -2,-0.4 3,-0.9 -8,-0.4 348,-0.0 -0.521 27.3-115.9 -86.7 166.3 42.8 -18.8 -4.5 56 56 A E T 3 S+ 0 0 193 1,-0.2 5,-0.1 -2,-0.2 -1,-0.1 0.633 109.6 80.6 -70.2 -16.0 44.8 -22.0 -5.0 57 57 A S T 3 + 0 0 62 345,-0.1 -1,-0.2 -10,-0.1 346,-0.1 0.402 68.7 114.1 -69.3 -1.3 47.8 -19.5 -4.6 58 58 A S < - 0 0 22 -3,-0.9 3,-0.4 1,-0.1 341,-0.1 -0.475 65.0-145.4 -69.4 143.0 47.3 -19.7 -0.8 59 59 A P S S+ 0 0 50 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.528 89.3 68.7 -80.9 -2.0 50.1 -21.3 1.2 60 60 A W + 0 0 30 -17,-0.1 -16,-0.3 2,-0.1 -15,-0.1 0.514 58.4 119.4-107.8 -9.3 47.5 -22.7 3.6 61 61 A G S S+ 0 0 52 -3,-0.4 2,-1.8 1,-0.2 3,-0.1 -0.244 90.4 4.9 -55.2 147.6 45.5 -25.4 1.8 62 62 A S S S+ 0 0 132 1,-0.2 -1,-0.2 0, 0.0 3,-0.1 -0.638 98.2 127.9 70.7 -82.1 45.8 -28.8 3.6 63 63 A H S S- 0 0 110 -2,-1.8 -19,-0.2 -4,-0.2 -1,-0.2 0.575 70.4 -87.7 -7.9 141.4 47.9 -27.4 6.5 64 64 A G - 0 0 62 1,-0.1 -1,-0.1 -3,-0.1 35,-0.0 -0.306 48.8-105.2 -66.9 140.4 46.8 -28.1 10.1 65 65 A D - 0 0 102 1,-0.1 34,-0.4 -3,-0.1 -23,-0.2 -0.097 32.5-131.4 -70.5 164.3 44.3 -25.8 11.8 66 66 A L E -D 41 0B 3 -25,-2.3 -25,-1.5 32,-0.1 2,-0.4 -0.475 8.4-115.2-112.8 173.1 44.9 -23.1 14.5 67 67 A R E -DE 40 97B 67 30,-3.1 30,-2.5 -27,-0.2 2,-0.7 -0.943 14.8-147.8-110.0 139.3 43.7 -21.8 17.9 68 68 A L E -DE 39 96B 0 -29,-2.9 -29,-1.6 -2,-0.4 28,-0.2 -0.938 21.7-161.3-103.0 108.5 42.3 -18.3 18.3 69 69 A L E - E 0 95B 56 26,-3.4 26,-2.1 -2,-0.7 -34,-0.1 -0.818 10.6-136.2-105.8 100.4 43.4 -17.4 21.8 70 70 A P E - E 0 94B 8 0, 0.0 24,-0.3 0, 0.0 23,-0.1 -0.255 10.5-137.0 -56.2 132.7 41.4 -14.6 23.4 71 71 A D > - 0 0 37 22,-3.7 3,-1.8 1,-0.1 22,-0.3 -0.877 11.9-147.1 -91.7 119.7 43.6 -12.0 25.2 72 72 A P G > S+ 0 0 80 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.747 91.6 62.7 -65.7 -21.6 41.6 -11.4 28.5 73 73 A N G 3 S+ 0 0 155 1,-0.2 19,-0.0 20,-0.1 -2,-0.0 0.592 95.1 59.5 -78.2 -8.4 42.7 -7.8 28.7 74 74 A S G < S+ 0 0 11 -3,-1.8 -1,-0.2 19,-0.3 19,-0.1 0.327 73.0 144.9-102.0 3.4 41.1 -6.7 25.4 75 75 A R < - 0 0 74 -3,-0.9 2,-0.4 -4,-0.2 17,-0.2 -0.142 33.5-157.8 -50.7 130.6 37.5 -7.6 26.4 76 76 A V E +C 91 0A 1 15,-3.1 15,-1.9 2,-0.0 2,-0.4 -0.958 11.6 179.7-110.9 131.2 34.7 -5.4 25.0 77 77 A R E +C 90 0A 134 -2,-0.4 2,-0.6 92,-0.4 13,-0.2 -0.939 9.5 173.2-133.6 107.7 31.4 -5.3 26.9 78 78 A V E +C 89 0A 9 11,-2.4 11,-2.4 -2,-0.4 3,-0.1 -0.952 6.2 179.3-113.2 108.9 28.5 -3.1 25.6 79 79 A E + 0 0 74 -2,-0.6 2,-0.4 1,-0.2 -1,-0.1 0.842 63.3 27.5 -80.8 -34.8 25.6 -4.0 27.8 80 80 A Q + 0 0 122 85,-0.1 -1,-0.2 9,-0.1 89,-0.1 -0.984 59.9 165.7-138.5 134.9 23.1 -1.7 26.3 81 81 A G - 0 0 8 2,-0.6 5,-0.1 -2,-0.4 131,-0.1 -0.600 59.2 -66.0-125.7-166.3 22.5 0.0 23.0 82 82 A P S S+ 0 0 32 0, 0.0 2,-0.6 0, 0.0 130,-0.1 0.750 119.8 62.6 -52.9 -34.5 19.7 1.9 21.3 83 83 A D S > S- 0 0 74 1,-0.1 3,-1.6 4,-0.1 -2,-0.6 -0.849 71.3-158.7 -97.8 115.8 17.5 -1.2 21.1 84 84 A A T 3 S+ 0 0 94 -2,-0.6 -1,-0.1 1,-0.3 0, 0.0 0.779 91.2 56.4 -73.5 -14.5 16.6 -2.4 24.7 85 85 A A T 3 S+ 0 0 96 -3,-0.1 -1,-0.3 2,-0.1 -5,-0.0 0.345 86.3 108.7 -90.9 2.9 15.8 -5.9 23.4 86 86 A A S < S- 0 0 19 -3,-1.6 -5,-0.1 -5,-0.1 3,-0.1 -0.494 74.8-104.6 -92.3 152.0 19.2 -6.4 21.7 87 87 A P - 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.345 40.2-100.4 -69.9 152.3 21.9 -8.7 23.0 88 88 A A - 0 0 28 1,-0.1 2,-0.6 -8,-0.1 -9,-0.2 -0.263 34.6-120.6 -50.6 157.8 24.9 -7.3 24.7 89 89 A L E + C 0 78A 39 -11,-2.4 -11,-2.4 -3,-0.1 2,-0.4 -0.960 44.7 168.2 -98.9 112.4 27.9 -7.0 22.5 90 90 A D E + C 0 77A 6 -2,-0.6 -79,-2.6 -81,-0.4 2,-0.3 -0.959 8.1 129.0-135.2 117.9 30.5 -9.1 24.2 91 91 A Y E -bC 11 76A 12 -15,-1.9 -15,-3.1 -2,-0.4 2,-0.3 -0.986 35.8-140.7-162.1 162.1 33.8 -10.3 22.6 92 92 A L E -b 12 0A 2 -81,-2.1 -79,-2.5 -2,-0.3 2,-0.2 -0.973 23.6-120.0-129.5 141.2 37.6 -10.5 23.1 93 93 A H E -b 13 0A 2 -2,-0.3 -22,-3.7 -22,-0.3 2,-0.3 -0.548 37.2-168.6 -77.2 145.2 40.5 -10.0 20.7 94 94 A G E -E 70 0B 1 -81,-1.8 2,-0.4 -24,-0.3 15,-0.2 -0.891 20.6-127.0-134.9 160.9 42.7 -13.0 20.3 95 95 A N E -E 69 0B 22 -26,-2.1 -26,-3.4 -2,-0.3 2,-0.4 -0.873 28.2-121.9-104.7 146.0 46.0 -14.0 18.8 96 96 A L E +E 68 0B 2 -2,-0.4 8,-2.0 -28,-0.2 2,-0.3 -0.753 38.4 167.1 -87.6 131.8 46.3 -17.0 16.4 97 97 A V E -EF 67 103B 14 -30,-2.5 -30,-3.1 -2,-0.4 5,-0.1 -0.938 38.9-101.2-143.0 155.4 48.6 -19.8 17.4 98 98 A E > - 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0 0 10 -72,-3.3 7,-0.1 -73,-0.4 -95,-0.1 -0.565 44.3 -91.8 -70.8 144.4 52.7 7.3 -3.5 372 388 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.047 26.6-142.3 -55.1 174.9 51.5 4.6 -5.9 373 389 A A S S+ 0 0 49 1,-0.2 2,-0.3 -3,-0.1 -81,-0.2 0.487 76.0 25.1-123.0 -9.5 48.2 5.1 -7.8 374 390 A T S > S- 0 0 68 1,-0.1 4,-1.8 -83,-0.1 -1,-0.2 -0.947 84.5-104.6-142.0 165.3 46.6 1.6 -7.8 375 391 A L H > S+ 0 0 5 -2,-0.3 4,-3.2 2,-0.2 5,-0.2 0.886 120.2 58.5 -53.8 -40.2 46.8 -1.4 -5.5 376 392 A G H > S+ 0 0 12 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.957 107.7 43.7 -56.1 -57.3 49.0 -3.1 -8.2 377 393 A D H > S+ 0 0 74 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.853 112.1 55.5 -53.6 -35.0 51.6 -0.4 -8.1 378 394 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -99,-0.4 0.915 109.8 44.9 -74.2 -38.8 51.3 -0.4 -4.3 379 395 A L H X S+ 0 0 0 -4,-3.2 4,-2.0 2,-0.2 -2,-0.2 0.860 108.9 56.1 -68.6 -38.8 52.1 -4.1 -4.2 380 396 A D H >X S+ 0 0 49 -4,-3.1 4,-1.7 1,-0.2 3,-0.7 0.988 108.7 49.9 -45.8 -57.8 55.0 -3.7 -6.7 381 397 A C H 3< S+ 0 0 21 -4,-2.6 4,-0.5 1,-0.3 -105,-0.2 0.804 108.9 50.0 -55.7 -39.8 56.4 -1.1 -4.2 382 398 A L H >< S+ 0 0 0 -4,-1.5 3,-0.6 -107,-0.2 7,-0.3 0.835 109.0 51.3 -66.7 -38.0 56.1 -3.4 -1.3 383 399 A Q H << S+ 0 0 87 -4,-2.0 -2,-0.2 -3,-0.7 -1,-0.2 0.888 109.8 51.9 -66.9 -34.2 57.8 -6.2 -3.1 384 400 A R T 3< S+ 0 0 167 -4,-1.7 2,-1.0 1,-0.2 -1,-0.2 0.481 91.7 78.4 -78.0 -11.6 60.8 -3.8 -4.0 385 401 A D <> + 0 0 28 -3,-0.6 4,-2.4 -4,-0.5 3,-0.5 -0.687 52.5 166.9-106.5 71.3 61.4 -2.6 -0.5 386 402 A E H > S+ 0 0 147 -2,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.798 72.1 65.3 -60.7 -29.1 63.4 -5.5 0.9 387 403 A A H 4 S+ 0 0 31 -3,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.965 111.5 34.4 -57.7 -46.4 64.3 -3.5 3.9 388 404 A L H >> S+ 0 0 1 -3,-0.5 3,-2.7 1,-0.2 4,-0.7 0.960 114.6 55.7 -72.6 -50.6 60.7 -3.4 5.0 389 405 A C H >< S+ 0 0 16 -4,-2.4 3,-1.5 -7,-0.3 -1,-0.2 0.843 99.2 63.9 -48.5 -41.1 59.6 -6.8 3.8 390 406 A A T 3< S+ 0 0 76 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.741 97.3 54.5 -62.4 -23.1 62.4 -8.3 5.8 391 407 A E T <4 S+ 0 0 50 -3,-2.7 -1,-0.3 -4,-0.4 -2,-0.2 0.663 94.2 85.1 -84.3 -13.5 60.8 -7.1 9.1 392 408 A L S << S- 0 0 8 -3,-1.5 2,-0.2 -4,-0.7 5,-0.0 -0.689 96.4-105.4 -86.6 134.5 57.5 -8.9 8.2 393 409 A P >> - 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0 0 70 -3,-1.2 -1,-0.3 1,-0.1 -3,-0.0 -0.212 64.6-111.6 -50.5 123.4 35.6 -3.0 -13.3 415 431 A S > - 0 0 56 -3,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.027 24.8-108.6 -52.3 156.5 34.9 0.7 -13.7 416 432 A D H > S+ 0 0 109 2,-0.2 4,-1.5 1,-0.1 5,-0.1 0.930 121.3 47.4 -50.6 -46.1 36.0 3.2 -11.1 417 433 A D H >> S+ 0 0 71 2,-0.2 4,-3.0 1,-0.2 3,-0.6 0.973 109.5 48.8 -64.1 -60.1 32.4 3.6 -10.1 418 434 A D H 3> S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.835 111.2 53.8 -43.0 -39.2 31.4 -0.1 -9.9 419 435 A L H 3X S+ 0 0 17 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.887 110.1 45.7 -69.0 -40.2 34.5 -0.7 -7.8 420 436 A C H < S+ 0 0 71 -4,-2.3 3,-1.3 -5,-0.4 -2,-0.2 0.983 113.5 37.5 -63.1 -52.1 31.4 -2.7 -4.9 423 439 A Y H >X S+ 0 0 1 -4,-2.6 3,-3.5 1,-0.3 4,-1.3 0.812 100.5 72.1 -74.3 -33.4 33.5 -1.8 -1.8 424 440 A A T 3< S+ 0 0 19 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.583 99.1 54.8 -52.2 -8.1 30.9 0.5 -0.2 425 441 A E T <4 S+ 0 0 155 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.488 108.1 46.1-104.1 -5.3 29.3 -2.9 0.4 426 442 A L T <4 0 0 61 -3,-3.5 -2,-0.2 -4,-0.1 -3,-0.1 0.492 360.0 360.0-111.3 -12.5 32.3 -4.4 2.2 427 443 A Y < 0 0 12 -4,-1.3 -205,-3.0 -201,-0.1 -3,-0.2 0.374 360.0 360.0-152.1 360.0 33.2 -1.6 4.6 428 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 429 503 A E 0 0 58 0, 0.0 -296,-0.0 0, 0.0 -197,-0.0 0.000 360.0 360.0 360.0 360.0 39.4 13.2 4.5