==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-MAR-11 3R4T . COMPND 2 MOLECULE: 4-AMINOBUTYRATE AMINOTRANSFERASE GABT; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM MARINUM; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 444 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 10.1 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 . 2 0.5 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 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 3 1 1 0 0 0 0 1 0 4 0 1 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 0 PARALLEL BRIDGES PER LADDER . 3 0 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 2 A A 0 0 145 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 70.1 21.6 69.8 36.2 2 3 A S - 0 0 112 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.983 360.0-103.3-139.0 142.9 21.3 66.7 33.9 3 4 A L - 0 0 22 -2,-0.3 2,-0.2 1,-0.1 45,-0.1 -0.522 29.7-134.1 -83.8 113.4 19.4 63.5 34.9 4 5 A D - 0 0 98 -2,-0.6 2,-2.0 1,-0.1 -1,-0.1 -0.351 8.4-138.9 -68.3 123.7 21.5 60.6 36.0 5 6 A Q S S+ 0 0 74 -2,-0.2 2,-0.3 43,-0.0 -1,-0.1 -0.279 70.1 97.1 -84.1 54.7 20.4 57.3 34.4 6 7 A S S S- 0 0 41 -2,-2.0 2,-0.1 424,-0.0 -2,-0.0 -0.996 77.0-110.9-140.7 141.7 20.9 55.3 37.5 7 8 A R - 0 0 78 -2,-0.3 2,-0.3 48,-0.0 50,-0.2 -0.465 38.5-177.8 -66.0 142.0 18.4 54.1 40.3 8 9 A L B -A 56 0A 64 48,-2.4 48,-2.5 -2,-0.1 2,-0.7 -0.942 18.8-165.5-148.4 128.6 19.0 55.8 43.7 9 10 A L + 0 0 74 -2,-0.3 46,-0.1 46,-0.2 3,-0.1 -0.925 22.1 156.8-112.4 101.9 17.2 55.3 47.0 10 11 A V S S+ 0 0 86 -2,-0.7 2,-0.2 2,-0.1 -1,-0.1 0.701 75.4 16.8 -86.2 -26.1 18.0 58.1 49.4 11 12 A T S S- 0 0 38 -3,-0.2 4,-0.1 1,-0.1 -1,-0.1 -0.819 92.8 -85.8-132.0 168.7 14.7 57.4 51.4 12 13 A E S S- 0 0 176 -2,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.283 70.6 -69.8 -62.4 167.7 12.2 54.6 51.9 13 14 A I S S+ 0 0 24 390,-0.2 2,-0.1 1,-0.1 26,-0.1 -0.949 124.7 26.0-122.2 121.9 9.3 54.6 49.3 14 15 A P S S- 0 0 36 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.506 99.4-144.3 -74.4 158.3 7.4 56.8 49.4 15 16 A G > - 0 0 1 -2,-0.1 4,-2.6 -4,-0.1 5,-0.2 -0.266 26.3 -93.9 -86.2 174.2 9.6 59.3 51.1 16 17 A P H > S+ 0 0 83 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.841 123.2 48.4 -57.7 -38.7 8.9 62.0 53.8 17 18 A A H > S+ 0 0 31 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.906 111.5 48.8 -71.3 -41.9 8.4 64.8 51.2 18 19 A S H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.928 109.9 53.6 -59.4 -41.5 6.1 62.7 49.1 19 20 A L H X S+ 0 0 88 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.882 108.6 48.9 -65.4 -37.4 4.2 61.9 52.2 20 21 A E H >X S+ 0 0 110 -4,-1.9 4,-1.0 -5,-0.2 3,-0.8 0.945 111.0 49.3 -61.9 -48.9 3.8 65.5 53.0 21 22 A L H 3X S+ 0 0 53 -4,-2.6 4,-1.8 1,-0.2 3,-0.3 0.848 103.9 62.1 -59.5 -33.7 2.6 66.3 49.5 22 23 A N H 3X S+ 0 0 34 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.801 94.4 59.8 -63.5 -33.9 0.1 63.4 49.8 23 24 A K H X S+ 0 0 68 -4,-1.8 4,-2.8 1,-0.2 3,-1.4 0.959 109.2 50.4 -58.3 -55.2 -3.7 65.6 47.7 26 27 A A H 3< S+ 0 0 79 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.800 113.6 47.1 -53.1 -32.6 -6.0 63.9 50.1 27 28 A A H 3< S+ 0 0 94 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.567 125.2 26.3 -84.6 -12.2 -7.4 67.4 51.2 28 29 A A H << S+ 0 0 87 -3,-1.4 2,-0.3 -4,-0.9 -2,-0.2 0.731 105.1 69.8-123.0 -35.4 -7.9 68.8 47.7 29 30 A V S < S- 0 0 75 -4,-2.8 -1,-0.1 -5,-0.2 0, 0.0 -0.746 86.7 -98.2-100.1 138.3 -8.5 66.0 45.1 30 31 A S > - 0 0 86 -2,-0.3 3,-1.6 1,-0.1 -1,-0.1 -0.211 24.9-127.7 -48.5 137.4 -11.6 63.8 44.9 31 32 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.0 0.551 102.5 79.3 -65.8 -10.8 -11.3 60.4 46.5 32 33 A G T 3 S+ 0 0 71 2,-0.1 2,-0.7 1,-0.0 -1,-0.3 0.732 76.3 84.7 -66.1 -21.1 -12.5 58.9 43.1 33 34 A V S < S- 0 0 81 -3,-1.6 2,-0.3 2,-0.0 -4,-0.1 -0.752 70.0-158.7 -89.9 111.9 -9.0 59.4 41.8 34 35 A G - 0 0 72 -2,-0.7 2,-0.5 2,-0.0 -2,-0.1 -0.692 2.4-150.8 -89.6 145.6 -6.8 56.4 42.7 35 36 A V - 0 0 63 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.975 6.3-160.7-118.6 125.6 -3.0 56.6 42.8 36 37 A T S S+ 0 0 101 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.933 86.4 9.3 -67.7 -49.5 -0.8 53.5 42.1 37 38 A L S S- 0 0 27 2,-0.1 2,-2.5 365,-0.0 -1,-0.3 -0.909 72.4-146.7-137.6 104.3 2.4 54.8 43.8 38 39 A P + 0 0 34 0, 0.0 2,-0.4 0, 0.0 -16,-0.2 -0.125 51.4 128.9 -80.5 54.4 2.2 58.0 45.8 39 40 A V - 0 0 18 -2,-2.5 2,-0.6 -25,-0.1 -2,-0.1 -0.865 57.7-127.3 -97.4 136.3 5.7 59.5 45.1 40 41 A F - 0 0 54 -2,-0.4 12,-2.3 1,-0.0 2,-0.2 -0.744 21.8-137.2 -92.8 122.4 5.6 63.1 43.9 41 42 A V E +B 51 0A 88 -2,-0.6 10,-0.3 10,-0.2 3,-0.1 -0.527 30.6 167.8 -82.1 135.0 7.6 63.6 40.6 42 43 A V E S- 0 0 94 8,-2.9 2,-0.3 1,-0.4 9,-0.2 0.541 71.9 -1.2-114.0 -15.0 9.8 66.6 40.1 43 44 A R E -B 50 0A 91 7,-1.3 7,-3.4 2,-0.0 -1,-0.4 -0.959 57.8-177.3-173.8 147.9 11.6 65.5 37.0 44 45 A A E +B 49 0A 17 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.982 15.4 138.0-157.4 145.0 11.8 62.6 34.5 45 46 A G E > +B 48 0A 14 3,-2.1 3,-2.2 -2,-0.3 2,-0.5 -0.910 60.7 10.9-176.7 161.0 13.8 61.6 31.4 46 47 A G T 3 S- 0 0 22 25,-0.4 379,-0.3 -2,-0.3 25,-0.3 -0.522 130.3 -34.2 66.6-113.3 15.5 58.6 29.7 47 48 A G T 3 S+ 0 0 0 -2,-0.5 12,-2.4 378,-0.2 2,-0.4 0.016 117.8 96.3-126.2 26.7 14.3 55.7 31.9 48 49 A I E < -BC 45 58A 3 -3,-2.2 -3,-2.1 10,-0.2 2,-0.5 -0.943 49.7-163.5-128.2 137.5 14.2 57.5 35.2 49 50 A V E -BC 44 57A 11 8,-2.4 8,-3.1 -2,-0.4 2,-0.5 -0.987 17.0-154.4-110.8 125.1 11.6 59.3 37.4 50 51 A E E -BC 43 56A 38 -7,-3.4 -8,-2.9 -2,-0.5 -7,-1.3 -0.873 13.5-152.0 -99.3 129.6 13.0 61.6 40.1 51 52 A D E > -B 41 0A 1 4,-2.1 3,-2.3 -2,-0.5 -10,-0.2 -0.432 32.1 -94.7 -99.6 175.1 10.8 62.3 43.2 52 53 A A T 3 S+ 0 0 37 -12,-2.3 -11,-0.1 1,-0.3 -1,-0.1 0.676 122.8 54.7 -62.2 -18.9 10.4 65.1 45.7 53 54 A D T 3 S- 0 0 32 -13,-0.2 -1,-0.3 2,-0.1 -43,-0.0 0.366 121.7-102.2 -92.9 0.4 12.8 63.4 48.1 54 55 A G S < S+ 0 0 27 -3,-2.3 -2,-0.1 1,-0.3 2,-0.1 0.451 73.7 144.1 88.9 0.6 15.7 63.1 45.5 55 56 A N - 0 0 0 -46,-0.1 -4,-2.1 -48,-0.0 2,-0.5 -0.422 41.4-145.7 -68.0 147.8 15.1 59.4 44.8 56 57 A R E -AC 8 50A 41 -48,-2.5 -48,-2.4 -6,-0.2 2,-0.3 -0.970 18.6-167.2-118.5 113.4 15.6 58.1 41.2 57 58 A L E - C 0 49A 0 -8,-3.1 -8,-2.4 -2,-0.5 2,-0.5 -0.789 25.2-115.2-106.2 142.1 13.2 55.3 40.2 58 59 A I E -dC 406 48A 0 347,-2.3 349,-3.1 -2,-0.3 2,-0.8 -0.623 31.3-137.6 -73.2 119.2 13.3 53.0 37.2 59 60 A D E +d 407 0A 10 -12,-2.4 349,-0.1 -2,-0.5 -1,-0.1 -0.719 38.9 157.3 -85.1 108.3 10.3 53.8 35.0 60 61 A L S S+ 0 0 0 347,-2.0 361,-3.1 -2,-0.8 349,-0.3 0.134 74.3 51.7-111.3 17.4 8.7 50.6 33.7 61 62 A G S >> S- 0 0 1 359,-0.2 4,-1.9 347,-0.1 3,-1.8 0.603 76.8-154.4-120.5 -21.9 5.3 52.2 33.1 62 63 A S H 3>>S- 0 0 0 1,-0.3 4,-2.5 2,-0.2 5,-2.1 0.804 76.5 -60.4 37.0 43.3 5.9 55.4 30.9 63 64 A G H 345S- 0 0 58 3,-0.2 -1,-0.3 2,-0.2 5,-0.0 0.794 109.4 -42.3 62.7 32.1 2.7 56.9 32.4 64 65 A I H <45S- 0 0 65 -3,-1.8 -2,-0.2 357,-0.2 -1,-0.2 0.949 118.0 -43.1 72.2 55.4 0.7 54.0 30.9 65 66 A A H <5S+ 0 0 3 -4,-1.9 226,-0.6 356,-0.4 3,-0.2 0.747 114.3 110.3 73.5 28.1 2.5 53.8 27.5 66 67 A V T <5 + 0 0 29 -4,-2.5 2,-0.8 -5,-0.3 3,-0.4 0.855 67.1 50.1-100.7 -50.7 2.5 57.6 26.9 67 68 A T > < + 0 0 9 -5,-2.1 3,-2.2 1,-0.2 -1,-0.1 -0.212 66.3 145.9 -90.8 47.4 6.2 58.7 27.2 68 69 A T T 3 S+ 0 0 3 -2,-0.8 356,-3.2 1,-0.3 357,-0.4 0.825 74.3 44.6 -45.5 -43.3 7.3 56.0 24.7 69 70 A I T 3 S- 0 0 7 -3,-0.4 -1,-0.3 1,-0.2 -23,-0.1 0.282 131.5 -85.5 -93.8 9.5 10.1 58.3 23.3 70 71 A G X - 0 0 2 -3,-2.2 3,-1.1 3,-0.1 -1,-0.2 0.215 52.4 -66.6 102.9 144.1 11.1 59.4 26.8 71 72 A N T 3 S+ 0 0 61 -25,-0.3 -25,-0.4 1,-0.3 224,-0.1 -0.341 119.6 2.0 -59.6 139.5 9.8 62.1 29.2 72 73 A S T 3 S- 0 0 77 222,-0.4 -1,-0.3 1,-0.1 5,-0.1 0.857 88.0-155.4 47.6 46.3 10.5 65.6 27.9 73 74 A A X> - 0 0 4 -3,-1.1 4,-2.5 221,-0.2 3,-0.6 -0.263 19.5-120.6 -49.8 134.3 12.1 64.3 24.7 74 75 A P H 3> S+ 0 0 106 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.800 111.6 50.8 -58.0 -34.8 14.5 67.0 23.3 75 76 A R H 3> S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.891 112.5 48.8 -67.9 -35.1 12.7 67.5 20.0 76 77 A V H <> S+ 0 0 4 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.924 108.1 52.6 -67.1 -47.0 9.4 67.9 21.9 77 78 A V H X S+ 0 0 57 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.933 113.1 45.7 -51.9 -49.7 10.9 70.5 24.3 78 79 A D H X S+ 0 0 100 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.913 112.5 48.3 -60.7 -48.2 12.1 72.5 21.3 79 80 A A H X S+ 0 0 27 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.882 114.4 46.9 -59.9 -42.6 8.9 72.3 19.3 80 81 A V H X S+ 0 0 28 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.912 108.2 54.6 -68.0 -46.6 6.8 73.3 22.4 81 82 A R H X S+ 0 0 173 -4,-2.4 4,-0.7 -5,-0.2 -1,-0.2 0.866 113.2 43.3 -54.1 -42.7 9.1 76.2 23.4 82 83 A D H X S+ 0 0 99 -4,-1.7 4,-0.7 -5,-0.2 3,-0.4 0.916 116.1 45.7 -71.7 -46.9 8.7 77.8 19.9 83 84 A Q H >X S+ 0 0 14 -4,-2.1 4,-1.9 1,-0.2 3,-1.5 0.910 103.3 61.6 -65.3 -42.4 5.0 77.2 19.5 84 85 A V H 3< S+ 0 0 76 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.809 104.6 51.9 -59.0 -27.2 4.0 78.5 22.9 85 86 A E H 3< S+ 0 0 155 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.737 109.9 47.5 -75.5 -27.5 5.5 81.9 22.0 86 87 A Q H << S- 0 0 142 -3,-1.5 2,-0.3 -4,-0.7 -2,-0.2 0.941 129.4 -35.0 -82.3 -55.1 3.5 82.1 18.7 87 88 A F < - 0 0 63 -4,-1.9 -1,-0.3 1,-0.1 3,-0.1 -0.916 38.6-155.1-167.5 146.7 -0.0 81.2 19.9 88 89 A T S S- 0 0 86 1,-0.4 237,-0.4 -2,-0.3 2,-0.2 0.657 78.1 -10.2 -98.8 -21.7 -1.6 78.8 22.4 89 90 A H + 0 0 71 234,-0.1 -1,-0.4 235,-0.1 234,-0.1 -0.826 41.8 165.0-176.9 133.6 -5.0 78.3 20.9 90 91 A T - 0 0 42 -2,-0.2 5,-0.5 -3,-0.1 4,-0.1 0.479 58.3-111.4-120.3 -12.6 -7.3 79.6 18.1 91 92 A C >> - 0 0 10 3,-0.1 3,-2.6 229,-0.1 4,-1.4 0.822 19.7-129.3 65.5 106.9 -9.9 76.8 18.0 92 93 A F T 34 S+ 0 0 55 229,-0.4 227,-0.1 227,-0.3 -1,-0.1 0.802 108.1 59.2 -56.6 -30.8 -9.4 75.1 14.6 93 94 A M T 34 S+ 0 0 110 225,-0.3 -1,-0.3 226,-0.2 -2,-0.1 0.628 111.8 40.7 -71.9 -16.3 -13.1 75.4 13.9 94 95 A V T <4 S- 0 0 109 -3,-2.6 -2,-0.2 1,-0.3 -3,-0.1 0.870 139.2 -8.0 -93.4 -73.6 -12.8 79.2 14.2 95 96 A T S < S- 0 0 77 -4,-1.4 -1,-0.3 -5,-0.5 -2,-0.1 -0.993 79.9-141.0-125.8 124.0 -9.6 80.0 12.5 96 97 A P - 0 0 89 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.123 11.7-156.1 -79.7 178.1 -7.4 77.0 11.4 97 98 A Y >> - 0 0 21 1,-0.1 4,-1.2 0, 0.0 3,-0.7 -0.974 28.0-113.3-155.5 154.7 -3.6 76.7 11.5 98 99 A E H 3> S+ 0 0 160 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.802 106.2 67.9 -65.4 -34.1 -1.0 74.6 9.6 99 100 A Q H 3> S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.863 102.2 47.1 -55.7 -41.5 0.1 72.5 12.7 100 101 A Y H <> S+ 0 0 25 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.933 114.2 46.5 -66.0 -48.9 -3.3 70.7 12.8 101 102 A V H X S+ 0 0 65 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.894 110.6 54.2 -59.9 -41.8 -3.2 70.1 9.0 102 103 A A H X S+ 0 0 17 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.908 108.9 47.8 -59.5 -46.8 0.4 68.8 9.2 103 104 A V H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.917 110.1 52.2 -59.8 -47.2 -0.5 66.3 12.0 104 105 A A H X S+ 0 0 13 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.919 110.4 49.2 -55.2 -44.5 -3.5 65.1 9.9 105 106 A E H X S+ 0 0 112 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.917 111.5 48.4 -60.9 -44.1 -1.1 64.6 6.9 106 107 A Q H X S+ 0 0 54 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.927 112.1 47.9 -68.0 -45.2 1.4 62.6 9.0 107 108 A L H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.913 109.8 53.6 -60.2 -41.1 -1.2 60.4 10.5 108 109 A N H < S+ 0 0 39 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.895 114.3 43.8 -57.3 -37.4 -2.7 59.8 7.0 109 110 A R H < S+ 0 0 127 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.939 117.4 39.6 -71.7 -51.9 0.9 58.8 5.9 110 111 A I H < S+ 0 0 18 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.653 94.5 93.0 -84.1 -18.7 2.0 56.5 8.8 111 112 A T S < S- 0 0 6 -4,-1.8 192,-0.0 -5,-0.3 171,-0.0 -0.287 88.2 -80.9 -71.7 161.2 -1.2 54.6 9.5 112 113 A P S S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 170,-0.1 -0.146 90.2 40.5 -59.1 155.4 -2.1 51.2 7.9 113 114 A G - 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0 0 39 -6,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.755 54.7-144.0-112.4 162.6 -26.8 51.6 11.4 143 144 A Q + 0 0 132 78,-0.4 79,-0.2 -2,-0.3 -1,-0.1 0.928 58.3 82.8 -96.6 -50.9 -27.0 51.5 15.2 144 145 A A E -f 222 0B 1 77,-2.2 79,-2.3 79,-0.1 80,-1.3 -0.091 46.7-163.0 -74.1 155.0 -25.1 48.8 17.0 145 146 A V E -fg 224 180B 0 34,-2.2 36,-2.7 78,-0.2 2,-0.5 -0.993 9.4-148.7-129.7 138.5 -21.5 48.5 18.1 146 147 A V E +fg 225 181B 0 78,-2.1 80,-2.7 -2,-0.4 2,-0.2 -0.952 19.6 173.3-107.6 128.6 -19.7 45.3 19.1 147 148 A A E - g 0 182B 0 34,-2.4 36,-2.4 -2,-0.5 2,-0.2 -0.750 29.2-105.0-121.4 175.4 -16.8 45.3 21.6 148 149 A F E > - g 0 183B 4 78,-0.3 3,-1.5 -2,-0.2 16,-0.1 -0.579 22.4-109.3-112.3 164.4 -15.0 42.4 23.2 149 150 A D T 3 S+ 0 0 54 34,-1.7 -1,-0.1 1,-0.3 33,-0.0 0.470 117.5 38.1 -75.5 -3.6 -15.0 40.7 26.6 150 151 A Y T 3 S+ 0 0 37 14,-0.1 84,-0.4 87,-0.0 -1,-0.3 0.175 92.5 135.1-119.0 16.7 -11.5 41.9 27.7 151 152 A A < - 0 0 7 -3,-1.5 13,-2.5 11,-0.1 14,-0.5 -0.335 33.8-174.4 -73.3 142.6 -11.9 45.4 26.1 152 153 A Y + 0 0 12 11,-0.2 80,-0.2 12,-0.1 81,-0.1 -0.977 16.6 155.7-128.6 126.1 -11.1 48.7 27.7 153 154 A H - 0 0 0 6,-0.5 2,-0.2 -2,-0.4 -24,-0.2 0.459 53.0 -70.6-129.6 -3.5 -12.0 51.9 25.8 154 155 A G - 0 0 0 5,-0.3 -1,-0.3 1,-0.1 9,-0.2 -0.781 39.3 -82.8 139.1-177.1 -12.4 54.8 28.2 155 156 A R S S+ 0 0 145 -2,-0.2 2,-0.1 4,-0.1 -1,-0.1 0.273 81.9 99.6-116.4 10.0 -14.3 56.6 31.0 156 157 A T S > S- 0 0 51 1,-0.1 4,-3.0 -30,-0.0 5,-0.3 -0.453 89.7 -94.9 -85.8 169.4 -17.1 58.6 29.2 157 158 A N H > S+ 0 0 65 1,-0.2 4,-1.9 2,-0.2 20,-0.2 0.932 123.6 37.4 -53.3 -56.5 -20.7 57.1 29.1 158 159 A L H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.902 118.6 48.9 -64.4 -40.2 -20.4 55.4 25.7 159 160 A T H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 -6,-0.5 0.830 109.4 53.3 -73.6 -29.1 -16.7 54.3 26.2 160 161 A M H < S+ 0 0 17 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.899 107.7 52.1 -61.0 -43.5 -17.7 52.9 29.6 161 162 A A H < S+ 0 0 5 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.891 109.0 49.1 -59.9 -40.9 -20.4 51.0 27.8 162 163 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.772 96.7 90.9 -69.5 -26.8 -17.8 49.7 25.3 163 164 A T < - 0 0 0 -4,-1.3 -11,-0.2 -9,-0.2 -14,-0.1 -0.458 65.8-152.4 -72.5 140.2 -15.6 48.6 28.3 164 165 A A + 0 0 26 -13,-2.5 2,-0.5 -2,-0.2 -12,-0.1 0.903 68.1 75.8 -80.6 -45.7 -16.0 45.1 29.8 165 166 A K - 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0 0 2 0, 0.0 -362,-0.2 0, 0.0 2,-0.1 -0.347 43.5-102.2 -67.2 154.5 9.2 51.1 29.7 423 424 A P > - 0 0 2 0, 0.0 3,-1.7 0, 0.0 -355,-0.2 -0.505 31.8-120.2 -63.6 146.4 10.0 54.3 27.7 424 425 A L T 3 S+ 0 0 3 -356,-3.2 -355,-0.2 1,-0.3 -356,-0.1 0.738 110.2 68.9 -61.5 -19.8 12.1 53.2 24.6 425 426 A T T 3 S+ 0 0 54 -357,-0.4 -1,-0.3 -379,-0.3 2,-0.2 0.283 71.4 118.5 -86.6 9.7 14.9 55.5 25.9 426 427 A I < - 0 0 2 -3,-1.7 2,-0.2 -380,-0.2 -380,-0.1 -0.540 69.5-119.9 -69.2 140.7 15.5 53.2 28.9 427 428 A S > - 0 0 31 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.564 17.5-118.5 -75.9 151.1 19.1 51.8 28.8 428 429 A D H > S+ 0 0 68 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.856 116.1 56.4 -53.1 -40.6 19.5 48.0 28.6 429 430 A E H > S+ 0 0 141 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 109.5 43.1 -59.7 -45.9 21.3 48.2 32.0 430 431 A L H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.910 114.7 51.5 -67.6 -38.1 18.3 50.0 33.7 431 432 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.938 112.2 45.2 -63.9 -47.0 15.9 47.6 32.0 432 433 A S H X S+ 0 0 37 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.884 110.8 53.8 -59.5 -42.8 17.9 44.5 33.2 433 434 A E H X S+ 0 0 58 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.886 107.1 51.6 -59.9 -41.0 18.2 45.9 36.7 434 435 A G H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.920 112.5 45.9 -62.4 -44.0 14.4 46.3 36.8 435 436 A L H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.850 108.4 56.8 -66.0 -34.7 14.1 42.7 35.7 436 437 A D H X S+ 0 0 70 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.930 106.0 50.4 -60.6 -46.9 16.7 41.6 38.3 437 438 A I H X S+ 0 0 10 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.920 109.6 49.6 -60.5 -45.9 14.6 43.2 41.1 438 439 A L H X S+ 0 0 3 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.917 112.4 48.7 -56.9 -45.0 11.5 41.4 40.0 439 440 A C H X S+ 0 0 32 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.896 110.6 50.4 -62.8 -43.3 13.4 38.1 39.9 440 441 A Q H X S+ 0 0 134 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.865 109.4 50.6 -62.3 -42.2 14.9 38.6 43.3 441 442 A I H < S+ 0 0 46 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.891 113.8 45.2 -64.6 -39.9 11.4 39.4 44.9 442 443 A L H < S+ 0 0 9 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.783 105.2 62.9 -72.3 -30.2 10.0 36.2 43.3 443 444 A A H < 0 0 85 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.844 360.0 360.0 -66.1 -36.7 12.9 34.0 44.4 444 445 A D < 0 0 144 -4,-1.2 -2,-0.2 -3,-0.1 -3,-0.2 0.526 360.0 360.0-143.9 360.0 12.5 34.4 48.2