==== 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 LYASE, TRANSFERASE 16-JAN-09 3FVU . COMPND 2 MOLECULE: KYNURENINE--OXOGLUTARATE TRANSAMINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.HAN,H.ROBINSON,T.CAI,D.A.TAGLE,J.LI . 838 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 599 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 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 . 51 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 283 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.6 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 2 2 4 1 1 2 0 2 4 2 2 4 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 4 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 PARALLEL BRIDGES PER LADDER . 3 3 2 4 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 . 3 0 2 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 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 4 A Q 0 0 145 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.0 0.3 17.6 16.8 2 5 A L + 0 0 47 2,-0.1 2,-0.1 527,-0.0 680,-0.0 0.889 360.0 67.2 -66.5 -47.9 0.1 13.9 17.5 3 6 A Q S S- 0 0 44 1,-0.1 525,-0.3 2,-0.0 524,-0.1 -0.375 94.8 -97.2 -85.9 157.6 3.9 13.6 17.1 4 7 A A > - 0 0 0 523,-2.6 3,-1.6 522,-0.1 -1,-0.1 -0.379 27.1-126.4 -68.9 144.2 6.7 15.1 19.2 5 8 A R G > S+ 0 0 129 1,-0.3 3,-2.3 2,-0.2 -1,-0.1 0.708 101.9 79.8 -65.5 -15.9 8.2 18.4 18.0 6 9 A R G 3 S+ 0 0 40 1,-0.3 -1,-0.3 520,-0.1 127,-0.2 0.720 86.6 61.3 -65.4 -17.9 11.7 16.8 18.1 7 10 A L G X S+ 0 0 7 -3,-1.6 3,-1.8 520,-0.1 4,-0.3 0.463 75.2 130.6 -85.0 -2.4 10.7 15.2 14.7 8 11 A D T < S- 0 0 82 -3,-2.3 -3,-0.0 1,-0.3 -4,-0.0 -0.323 81.3 -3.9 -58.4 126.6 10.3 18.6 13.0 9 12 A G T 3 S+ 0 0 65 1,-0.1 -1,-0.3 -2,-0.1 3,-0.1 0.525 112.7 90.9 73.7 9.3 12.2 18.7 9.7 10 13 A I < + 0 0 5 -3,-1.8 -2,-0.1 1,-0.1 -1,-0.1 0.237 54.6 90.2-120.1 16.2 13.8 15.3 10.0 11 14 A D + 0 0 101 -4,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.697 67.4 90.4 -83.9 -20.3 11.2 13.0 8.3 12 15 A Y - 0 0 137 -3,-0.1 3,-0.0 2,-0.0 0, 0.0 -0.647 53.1-168.2 -86.3 132.9 12.7 13.3 4.8 13 16 A N > - 0 0 16 -2,-0.4 3,-1.0 1,-0.1 4,-0.3 -0.984 4.8-165.2-114.4 110.2 15.4 10.9 3.6 14 17 A P T 3 S+ 0 0 22 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.637 81.6 69.6 -85.4 -10.2 16.8 12.3 0.4 15 18 A W T >> S+ 0 0 47 1,-0.2 4,-2.0 2,-0.1 3,-1.5 0.797 81.4 78.7 -59.0 -34.9 18.4 9.0 -0.5 16 19 A V H <> S+ 0 0 67 -3,-1.0 4,-2.4 1,-0.3 5,-0.2 0.834 85.0 54.5 -61.1 -40.4 15.1 7.5 -1.2 17 20 A E H 3> S+ 0 0 52 -4,-0.3 4,-1.9 -3,-0.3 -1,-0.3 0.807 112.1 46.6 -61.0 -28.8 14.4 8.9 -4.6 18 21 A F H <> S+ 0 0 3 -3,-1.5 4,-2.8 -4,-0.4 -2,-0.2 0.879 110.0 50.9 -82.6 -39.3 17.7 7.6 -5.8 19 22 A V H X S+ 0 0 79 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.917 114.6 46.0 -59.5 -43.2 17.2 4.1 -4.3 20 23 A K H X S+ 0 0 127 -4,-2.4 4,-1.0 -5,-0.2 -2,-0.2 0.940 113.1 47.3 -65.8 -49.1 13.8 4.0 -6.0 21 24 A L H >< S+ 0 0 21 -4,-1.9 3,-0.8 1,-0.2 4,-0.5 0.922 111.5 52.7 -60.6 -43.0 15.0 5.2 -9.4 22 25 A A H >< S+ 0 0 4 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.909 105.7 53.6 -56.9 -44.0 17.9 2.7 -9.2 23 26 A S H 3< S+ 0 0 94 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.708 104.4 57.2 -66.0 -19.7 15.5 -0.2 -8.6 24 27 A E T << S+ 0 0 100 -4,-1.0 -1,-0.3 -3,-0.8 2,-0.2 0.566 106.1 56.5 -88.0 -10.1 13.5 0.8 -11.7 25 28 A H S < S- 0 0 71 -3,-1.4 2,-1.0 -4,-0.5 344,-0.1 -0.718 88.9-103.3-123.7 166.2 16.5 0.5 -14.1 26 29 A D + 0 0 130 -2,-0.2 2,-0.3 343,-0.1 -3,-0.1 -0.816 65.3 159.9 -87.2 101.4 19.1 -1.9 -15.3 27 30 A V - 0 0 35 -2,-1.0 2,-0.6 -5,-0.2 346,-0.2 -0.862 54.8-130.2-130.6 158.8 22.1 -0.4 -13.4 28 31 A V E -a 373 0A 11 344,-2.4 346,-2.1 -2,-0.3 2,-1.4 -0.966 41.5-138.9 -99.9 115.6 25.5 -1.0 -12.0 29 32 A N E +a 374 0A 39 -2,-0.6 3,-0.3 1,-0.2 346,-0.1 -0.632 44.0 153.4 -92.7 91.2 24.9 0.2 -8.5 30 33 A L + 0 0 0 -2,-1.4 367,-1.9 344,-0.7 346,-0.2 0.260 65.4 75.1 -96.2 11.5 27.9 2.2 -7.4 31 34 A G + 0 0 4 344,-0.2 2,-0.3 365,-0.2 -1,-0.2 0.749 69.2 97.7 -86.0 -32.4 25.7 4.2 -4.9 32 35 A Q - 0 0 76 -3,-0.3 2,-1.0 1,-0.1 365,-0.1 -0.477 66.4-150.1 -65.6 121.9 25.4 1.3 -2.4 33 36 A G + 0 0 13 -2,-0.3 -1,-0.1 365,-0.1 302,-0.1 -0.383 68.5 71.2 -93.0 52.6 28.0 2.0 0.4 34 37 A F S S- 0 0 29 -2,-1.0 445,-0.1 365,-0.1 210,-0.1 -0.973 89.7 -81.2-158.7 156.4 28.5 -1.7 1.2 35 38 A P - 0 0 0 0, 0.0 365,-0.2 0, 0.0 214,-0.1 -0.268 18.7-160.4 -61.8 146.7 30.2 -4.7 -0.4 36 39 A D S S+ 0 0 35 363,-0.3 364,-0.1 2,-0.1 440,-0.1 -0.015 77.4 70.3-109.8 24.5 28.4 -6.8 -3.0 37 40 A F S S- 0 0 25 362,-0.1 362,-0.0 438,-0.1 364,-0.0 -0.850 97.3 -78.6-129.0 167.1 30.8 -9.7 -2.3 38 41 A P - 0 0 60 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.252 42.0-110.0 -67.4 156.2 31.0 -11.9 0.9 39 42 A P - 0 0 3 0, 0.0 208,-0.1 0, 0.0 209,-0.1 -0.310 59.5 -71.6 -67.1 166.1 32.6 -11.0 4.2 40 43 A P >> - 0 0 21 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.293 45.7-113.5 -61.9 149.3 35.8 -12.9 4.8 41 44 A D H 3> S+ 0 0 117 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.835 114.2 58.1 -51.5 -41.9 35.4 -16.6 5.7 42 45 A F H 3> S+ 0 0 23 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.849 108.6 46.9 -62.4 -32.1 36.6 -16.2 9.3 43 46 A A H <> S+ 0 0 0 -3,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.945 114.1 44.8 -73.1 -50.5 33.9 -13.6 10.0 44 47 A V H X S+ 0 0 24 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.933 114.1 50.9 -59.2 -43.1 31.1 -15.6 8.4 45 48 A E H X S+ 0 0 84 -4,-3.0 4,-2.7 -5,-0.2 -1,-0.2 0.862 105.1 57.7 -62.0 -35.9 32.4 -18.7 10.2 46 49 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.902 108.7 44.8 -59.7 -43.9 32.4 -16.8 13.5 47 50 A F H X S+ 0 0 8 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.912 111.7 53.0 -68.8 -40.8 28.7 -16.0 13.1 48 51 A Q H < S+ 0 0 63 -4,-2.4 4,-0.4 1,-0.2 3,-0.2 0.915 109.7 49.0 -58.6 -41.4 28.0 -19.7 12.2 49 52 A H H >< S+ 0 0 91 -4,-2.7 3,-1.3 1,-0.2 4,-0.4 0.921 107.5 55.2 -63.3 -43.4 29.8 -20.8 15.3 50 53 A A H 3< S+ 0 0 5 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.790 110.8 43.8 -63.7 -30.1 27.8 -18.4 17.5 51 54 A V T 3< S+ 0 0 4 -4,-1.5 -1,-0.3 -3,-0.2 417,-0.2 0.398 119.7 41.7 -96.2 3.3 24.5 -19.8 16.3 52 55 A S S < S+ 0 0 75 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.2 0.117 107.2 65.5-130.4 18.1 25.5 -23.4 16.6 53 56 A G S S+ 0 0 48 -4,-0.4 -3,-0.1 1,-0.3 4,-0.0 0.092 96.6 10.0-111.0-135.6 27.5 -23.4 19.9 54 57 A D > - 0 0 103 1,-0.2 3,-2.1 2,-0.1 -1,-0.3 -0.238 66.2-142.3 -49.6 118.0 26.5 -22.8 23.5 55 58 A F G > S+ 0 0 84 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.753 95.3 69.8 -59.8 -26.3 22.7 -22.7 23.4 56 59 A M G > S+ 0 0 55 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.555 77.2 80.5 -71.6 -7.5 22.6 -19.9 26.0 57 60 A L G < S+ 0 0 22 -3,-2.1 223,-0.3 1,-0.3 -1,-0.3 0.641 81.1 68.3 -68.6 -12.8 24.0 -17.6 23.4 58 61 A N G < S+ 0 0 7 -3,-1.8 612,-2.4 -4,-0.2 613,-0.6 0.497 95.6 70.1 -78.4 -9.3 20.3 -17.5 22.2 59 62 A Q S < S- 0 0 1 -3,-1.5 220,-0.1 610,-0.3 395,-0.0 -0.640 99.8 -63.2-107.9 172.4 19.4 -15.6 25.4 60 63 A Y - 0 0 40 -2,-0.2 -1,-0.2 1,-0.1 610,-0.2 -0.060 45.8-161.2 -53.6 145.7 20.2 -12.1 26.7 61 64 A T - 0 0 24 216,-0.4 5,-0.1 1,-0.2 -1,-0.1 -0.437 43.4 -49.6-109.0-168.6 23.7 -10.9 27.4 62 65 A K > - 0 0 96 3,-0.2 3,-1.3 -2,-0.2 215,-0.4 -0.361 49.9-121.7 -69.1 144.9 25.0 -8.0 29.6 63 66 A T T 3 S+ 0 0 17 1,-0.3 214,-0.2 213,-0.1 3,-0.1 0.859 108.6 41.7 -54.9 -45.5 23.5 -4.6 29.0 64 67 A F T 3 S- 0 0 22 1,-0.3 29,-1.4 28,-0.1 -1,-0.3 0.401 130.3 -48.5 -92.6 4.5 26.7 -2.7 28.1 65 68 A G < - 0 0 6 -3,-1.3 -1,-0.3 27,-0.2 -3,-0.2 -0.423 62.5 -73.3 143.9 151.5 28.1 -5.5 26.0 66 69 A Y >> - 0 0 43 212,-0.2 4,-2.2 1,-0.1 3,-1.1 -0.498 52.1-129.6 -61.4 120.4 28.8 -9.2 25.6 67 70 A P H 3> S+ 0 0 62 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.847 103.6 53.0 -51.1 -43.9 31.8 -9.6 27.9 68 71 A P H 3> S+ 0 0 55 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.859 112.6 48.5 -60.5 -29.5 34.2 -11.4 25.4 69 72 A L H <> S+ 0 0 0 -3,-1.1 4,-2.5 2,-0.2 5,-0.2 0.920 112.0 44.9 -72.3 -46.7 33.5 -8.5 23.0 70 73 A T H X S+ 0 0 14 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.900 111.2 57.6 -66.4 -32.5 34.1 -5.7 25.4 71 74 A K H X S+ 0 0 144 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.945 112.2 38.2 -57.4 -53.3 37.3 -7.6 26.6 72 75 A I H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 5,-0.4 0.879 114.4 54.3 -72.9 -35.0 38.8 -7.7 23.1 73 76 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.4 0.946 110.8 47.5 -59.0 -44.3 37.6 -4.2 22.2 74 77 A A H X S+ 0 0 6 -4,-2.6 4,-1.2 -5,-0.2 11,-0.3 0.905 118.3 39.5 -63.3 -43.2 39.3 -2.9 25.3 75 78 A S H X S+ 0 0 48 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.961 119.6 43.4 -73.3 -50.7 42.6 -4.7 24.7 76 79 A F H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -3,-0.2 0.937 122.8 36.4 -62.4 -51.8 42.9 -4.3 20.9 77 80 A F H X S+ 0 0 5 -4,-2.1 4,-2.6 -5,-0.4 -1,-0.2 0.768 110.5 62.3 -76.3 -25.9 41.9 -0.6 20.8 78 81 A G H X>S+ 0 0 8 -4,-1.2 5,-2.6 -5,-0.4 4,-1.3 0.945 107.9 45.3 -55.9 -49.4 43.7 0.1 24.1 79 82 A E H <5S+ 0 0 115 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.918 114.3 48.1 -57.3 -49.5 46.8 -0.9 22.2 80 83 A L H <5S+ 0 0 56 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.848 118.8 38.3 -64.3 -37.0 45.9 1.2 19.2 81 84 A L H <5S- 0 0 8 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.565 105.0-123.0 -91.2 -10.7 45.0 4.3 21.2 82 85 A G T <5S+ 0 0 69 -4,-1.3 2,-0.4 -3,-0.3 -3,-0.2 0.912 71.7 127.2 65.5 45.8 47.9 4.0 23.7 83 86 A Q < - 0 0 61 -5,-2.6 2,-0.6 -6,-0.2 -1,-0.3 -0.991 68.8-120.8-140.3 138.2 45.2 4.0 26.4 84 87 A E - 0 0 158 -2,-0.4 2,-0.5 -3,-0.1 -9,-0.1 -0.720 38.3-170.2 -75.2 116.3 44.2 1.9 29.4 85 88 A I - 0 0 6 -2,-0.6 -7,-0.1 -11,-0.3 3,-0.1 -0.957 14.3-153.1-116.7 120.1 40.6 0.9 28.5 86 89 A D > - 0 0 65 -2,-0.5 4,-2.7 1,-0.1 5,-0.3 -0.815 13.4-142.3 -87.7 126.2 38.3 -0.8 31.1 87 90 A P H > S+ 0 0 41 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.874 97.9 43.7 -53.3 -42.3 35.6 -2.9 29.3 88 91 A L H 4 S+ 0 0 118 1,-0.2 -17,-0.0 2,-0.1 -2,-0.0 0.847 125.1 29.0 -78.8 -32.3 32.9 -2.0 31.8 89 92 A R H 4 S+ 0 0 132 -3,-0.1 -1,-0.2 1,-0.1 174,-0.1 0.695 128.6 33.6 -98.7 -23.5 33.5 1.7 32.2 90 93 A N H < S+ 0 0 17 -4,-2.7 168,-2.2 1,-0.1 2,-0.4 0.361 105.4 66.5-120.6 -0.8 35.0 2.8 28.8 91 94 A V E < +B 257 0B 1 -4,-0.9 2,-0.4 -5,-0.3 166,-0.2 -0.993 48.5 179.1-127.7 132.0 33.3 0.5 26.2 92 95 A L E -B 256 0B 0 164,-2.1 164,-2.2 -2,-0.4 2,-0.4 -0.988 20.1-143.7-129.3 125.4 29.6 0.4 25.1 93 96 A V E +B 255 0B 1 -29,-1.4 162,-0.3 -2,-0.4 2,-0.2 -0.733 30.2 179.2 -84.8 135.2 28.4 -2.0 22.4 94 97 A T E -B 254 0B 2 160,-2.5 160,-2.4 -2,-0.4 2,-1.7 -0.724 43.2 -83.9-130.3 173.7 25.7 -0.4 20.2 95 98 A V S > S- 0 0 7 -2,-0.2 4,-2.1 158,-0.2 158,-0.3 -0.635 94.7 -54.9 -83.9 81.6 23.4 -1.1 17.2 96 99 A G H > S- 0 0 0 -2,-1.7 4,-1.9 156,-0.3 158,-0.4 0.097 76.8 -64.7 74.8 173.3 26.0 -0.2 14.6 97 100 A G H > S+ 0 0 0 156,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.831 136.6 60.8 -58.4 -32.7 28.0 3.0 14.3 98 101 A Y H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.956 105.6 43.7 -63.3 -46.9 24.6 4.6 13.6 99 102 A G H X S+ 0 0 4 -4,-2.1 4,-2.7 595,-0.3 -1,-0.2 0.846 111.2 56.1 -65.1 -33.2 23.3 3.6 17.1 100 103 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.939 109.0 46.3 -63.7 -47.3 26.6 4.7 18.6 101 104 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.946 113.2 49.2 -56.5 -51.3 26.2 8.2 17.0 102 105 A F H X S+ 0 0 9 -4,-2.5 4,-2.8 591,-0.4 5,-0.2 0.907 110.0 51.2 -55.8 -45.4 22.6 8.4 18.2 103 106 A T H X S+ 0 0 8 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.909 110.7 48.9 -61.1 -43.0 23.5 7.4 21.7 104 107 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 5,-0.3 0.930 113.2 46.3 -63.6 -47.3 26.2 10.1 21.9 105 108 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.919 113.6 47.9 -61.8 -43.2 23.9 12.8 20.6 106 109 A Q H < S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.808 114.4 47.9 -71.1 -28.2 21.0 11.9 22.9 107 110 A A H < S+ 0 0 0 -4,-1.7 317,-2.5 -5,-0.2 -1,-0.2 0.855 128.3 17.9 -74.5 -36.8 23.4 11.7 25.9 108 111 A L H < S+ 0 0 0 -4,-1.9 2,-0.4 315,-0.3 -2,-0.2 0.715 99.6 84.8-115.8 -29.1 25.2 15.0 25.3 109 112 A V < + 0 0 0 -4,-2.6 2,-0.3 -5,-0.3 25,-0.1 -0.683 51.7 170.2 -95.0 130.7 23.3 17.4 23.0 110 113 A D > - 0 0 15 -2,-0.4 3,-2.0 23,-0.1 22,-0.1 -0.815 44.6 -66.3-131.9 166.8 20.6 19.6 24.6 111 114 A E T 3 S+ 0 0 130 1,-0.3 23,-0.2 -2,-0.3 3,-0.1 -0.335 123.0 21.8 -53.4 130.5 18.4 22.6 23.7 112 115 A G T 3 S+ 0 0 34 21,-1.1 2,-0.3 1,-0.3 -1,-0.3 0.499 95.4 124.1 83.8 4.1 20.6 25.6 23.1 113 116 A D < - 0 0 26 -3,-2.0 22,-2.7 20,-0.2 2,-0.4 -0.718 52.5-140.4 -91.5 149.2 23.8 23.6 22.4 114 117 A E E -cd 135 172B 19 57,-2.7 59,-3.0 -2,-0.3 60,-1.2 -0.859 10.3-161.3-104.3 144.5 25.8 24.0 19.2 115 118 A V E -cd 136 174B 0 20,-2.0 22,-2.9 -2,-0.4 2,-0.5 -0.995 13.9-138.6-125.6 122.1 27.4 21.1 17.4 116 119 A I E -cd 137 175B 0 58,-2.5 60,-3.1 -2,-0.4 2,-0.4 -0.718 21.8-172.7 -81.6 126.7 30.2 21.7 14.9 117 120 A I E -cd 138 176B 0 20,-2.9 22,-2.4 -2,-0.5 2,-0.6 -0.979 16.6-138.9-124.0 132.0 29.8 19.6 11.7 118 121 A I E -c 139 0B 9 58,-0.7 22,-0.2 -2,-0.4 60,-0.1 -0.815 36.0-100.4 -95.9 120.6 32.5 19.4 9.0 119 122 A E E S+c 140 0B 0 20,-2.8 22,-2.6 -2,-0.6 263,-0.1 -0.646 105.0 44.1 -86.7 140.1 31.2 19.5 5.4 120 123 A P S S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 64,-0.2 0.485 90.4 176.5 -77.8 139.4 30.8 17.2 3.5 121 124 A F - 0 0 1 260,-2.5 -2,-0.1 -2,-0.1 5,-0.1 -0.936 44.1 -97.8-120.0 143.3 29.3 15.2 6.4 122 125 A F > - 0 0 21 -2,-0.4 3,-1.9 60,-0.3 4,-0.3 -0.345 52.6-121.5 -48.9 123.2 27.7 11.8 6.7 123 126 A D T > S+ 0 0 33 1,-0.3 3,-1.1 2,-0.1 -1,-0.1 0.711 99.8 67.7 -66.0 -26.3 24.2 13.1 6.5 124 127 A C T 3> S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.665 80.3 79.5 -65.3 -17.2 22.7 11.9 9.8 125 128 A Y H <> S+ 0 0 3 -3,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.893 93.9 49.6 -60.4 -35.2 24.9 14.2 11.9 126 129 A E H <> S+ 0 0 47 -3,-1.1 4,-2.4 -4,-0.3 -1,-0.2 0.980 114.0 39.6 -68.6 -59.7 22.5 17.1 11.1 127 130 A P H > S+ 0 0 23 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.830 114.1 55.5 -62.1 -30.2 19.1 15.6 11.9 128 131 A M H X S+ 0 0 2 -4,-2.3 4,-1.3 2,-0.2 6,-0.2 0.909 109.0 47.5 -67.5 -39.8 20.6 13.8 15.0 129 132 A T H <>S+ 0 0 0 -4,-1.8 5,-2.3 -5,-0.3 3,-0.3 0.948 113.8 48.8 -59.1 -46.9 21.7 17.2 16.3 130 133 A M H ><5S+ 0 0 67 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.903 106.5 54.2 -61.8 -45.1 18.3 18.6 15.5 131 134 A M H 3<5S+ 0 0 7 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.830 107.6 52.0 -61.6 -30.3 16.4 15.8 17.2 132 135 A A T 3<5S- 0 0 0 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.312 122.6-106.6 -89.4 7.9 18.4 16.5 20.4 133 136 A G T < 5S+ 0 0 16 -3,-2.0 -21,-1.1 1,-0.2 -20,-0.2 0.459 74.4 138.3 85.0 3.0 17.5 20.2 20.3 134 137 A G < - 0 0 10 -5,-2.3 -1,-0.2 -6,-0.2 -20,-0.2 -0.279 54.0-125.2 -79.1 162.4 21.0 21.3 19.2 135 138 A R E -c 114 0B 147 -22,-2.7 -20,-2.0 -2,-0.0 2,-0.2 -0.960 25.6-134.5-108.3 112.6 21.9 23.9 16.5 136 139 A P E -c 115 0B 26 0, 0.0 2,-0.5 0, 0.0 -20,-0.2 -0.522 16.7-162.4 -67.2 136.8 24.2 22.6 13.8 137 140 A V E -c 116 0B 14 -22,-2.9 -20,-2.9 -2,-0.2 2,-0.4 -0.993 12.8-148.6-122.4 124.6 27.1 24.8 13.0 138 141 A F E +c 117 0B 33 -2,-0.5 2,-0.4 -22,-0.2 -20,-0.2 -0.800 19.7 179.9-108.1 133.8 28.8 24.1 9.7 139 142 A V E -c 118 0B 0 -22,-2.4 -20,-2.8 -2,-0.4 2,-0.4 -0.999 22.4-140.4-124.9 132.4 32.4 24.5 8.5 140 143 A S E -c 119 0B 5 -2,-0.4 20,-0.4 -22,-0.2 2,-0.1 -0.769 9.0-130.1 -99.7 131.1 33.3 23.5 5.0 141 144 A L - 0 0 0 -22,-2.6 18,-0.2 -2,-0.4 16,-0.1 -0.487 30.6-141.0 -62.7 142.6 36.5 21.7 3.9 142 145 A K E -H 158 0C 93 16,-2.4 16,-3.2 -2,-0.1 2,-0.1 -0.959 7.8-125.2-119.4 121.1 37.9 23.7 1.0 143 146 A P E -H 157 0C 57 0, 0.0 14,-0.2 0, 0.0 3,-0.1 -0.423 25.5-135.1 -63.7 133.2 39.5 22.1 -2.1 144 147 A G - 0 0 24 12,-1.1 2,-0.1 9,-0.3 12,-0.1 -0.197 41.9 -61.7 -77.6 178.7 43.0 23.2 -2.9 145 148 A P + 0 0 134 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.366 53.6 169.5 -73.8 137.1 44.3 24.1 -6.4 146 149 A I - 0 0 89 -2,-0.1 6,-0.1 -3,-0.1 2,-0.1 -0.982 18.7-143.3-143.6 138.6 44.4 21.6 -9.3 147 150 A Q - 0 0 135 -2,-0.3 3,-0.5 4,-0.1 5,-0.0 -0.245 35.6 -94.7 -91.5 179.1 45.0 22.1 -13.0 148 151 A N S S+ 0 0 174 1,-0.2 -1,-0.1 -2,-0.1 3,-0.0 0.657 119.7 62.2 -64.1 -17.3 43.6 20.6 -16.2 149 152 A G S S+ 0 0 68 1,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.845 105.9 29.2 -79.0 -37.9 46.6 18.2 -16.1 150 153 A E S S- 0 0 146 -3,-0.5 2,-0.2 1,-0.0 -1,-0.0 -0.796 75.3-104.0-131.6 166.4 46.1 16.3 -12.9 151 154 A L - 0 0 41 -2,-0.3 178,-0.1 1,-0.1 -4,-0.1 -0.594 34.9-113.3 -88.7 148.0 43.5 15.0 -10.4 152 155 A G - 0 0 6 176,-0.5 178,-2.9 -2,-0.2 2,-0.4 -0.262 25.0-139.4 -68.0 161.7 42.6 16.5 -7.0 153 156 A S B > -i 330 0D 23 176,-0.2 3,-1.4 1,-0.1 -9,-0.3 -0.971 14.3-132.6-125.0 143.6 43.4 14.6 -3.8 154 157 A S G > S+ 0 0 0 176,-2.8 3,-2.0 -2,-0.4 32,-0.2 0.821 106.2 68.8 -60.3 -33.2 41.1 14.4 -0.8 155 158 A S G 3 S+ 0 0 37 175,-0.4 -1,-0.3 1,-0.3 34,-0.1 0.736 93.5 59.4 -56.7 -26.1 44.2 15.3 1.3 156 159 A N G < S+ 0 0 74 -3,-1.4 -12,-1.1 -12,-0.1 2,-0.7 0.351 73.2 104.1 -93.0 4.8 44.1 18.8 -0.2 157 160 A W E < -H 143 0C 7 -3,-2.0 2,-0.3 -14,-0.2 -16,-0.1 -0.817 69.8-147.8 -82.3 116.1 40.6 19.6 1.0 158 161 A Q E -H 142 0C 93 -16,-3.2 -16,-2.4 -2,-0.7 2,-0.8 -0.665 22.7-145.9-101.8 145.0 41.6 22.0 3.8 159 162 A L - 0 0 8 -2,-0.3 -18,-0.1 -18,-0.2 -2,-0.0 -0.909 31.0-135.3-102.4 101.7 40.1 22.8 7.2 160 163 A D > - 0 0 74 -2,-0.8 4,-2.9 -20,-0.4 5,-0.2 -0.419 7.1-145.8 -63.3 118.3 41.0 26.5 7.5 161 164 A P H > S+ 0 0 60 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.858 97.1 44.4 -58.0 -38.3 42.3 27.0 11.1 162 165 A M H > S+ 0 0 140 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.884 113.3 50.4 -76.4 -36.6 40.8 30.5 11.5 163 166 A E H > S+ 0 0 58 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.936 114.3 45.5 -57.2 -48.9 37.5 29.5 10.0 164 167 A L H >X S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.2 4,-0.7 0.926 110.3 52.9 -63.8 -47.3 37.3 26.5 12.3 165 168 A A H >< S+ 0 0 26 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.875 105.2 56.1 -55.1 -40.1 38.3 28.5 15.4 166 169 A G H 3< S+ 0 0 60 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.598 95.9 64.9 -69.9 -13.9 35.6 31.1 14.7 167 170 A K H << S+ 0 0 65 -3,-1.4 -1,-0.2 -4,-0.5 2,-0.2 0.766 83.9 93.2 -79.7 -25.7 32.9 28.5 14.8 168 171 A F << + 0 0 12 -3,-1.0 2,-0.3 -4,-0.7 32,-0.0 -0.488 51.3 160.5 -72.2 133.3 33.6 27.8 18.4 169 172 A T > - 0 0 52 -2,-0.2 3,-1.7 34,-0.1 -55,-0.1 -0.846 58.8 -88.9-139.2 175.4 31.4 29.7 21.0 170 173 A S T 3 S+ 0 0 128 -2,-0.3 -2,-0.0 1,-0.3 -56,-0.0 0.692 126.4 57.4 -58.1 -19.1 30.5 29.3 24.6 171 174 A R T 3 S+ 0 0 149 -58,-0.1 -57,-2.7 -56,-0.0 2,-0.4 0.482 74.0 119.6 -93.6 -4.9 27.6 27.2 23.3 172 175 A T E < +d 114 0B 9 -3,-1.7 -57,-0.2 -59,-0.2 3,-0.1 -0.477 28.7 167.0 -68.3 120.1 29.6 24.6 21.5 173 176 A K E + 0 0 24 -59,-3.0 33,-2.2 -2,-0.4 2,-0.3 0.840 61.6 1.9 -96.4 -45.5 28.9 21.3 23.1 174 177 A A E -de 115 206B 0 -60,-1.2 -58,-2.5 31,-0.2 2,-0.4 -0.961 49.6-149.5-143.6 156.3 30.4 18.9 20.6 175 178 A L E -de 116 207B 0 31,-2.2 33,-2.3 -2,-0.3 2,-0.6 -0.995 22.5-142.2-122.7 132.2 32.4 18.8 17.3 176 179 A V E -de 117 208B 3 -60,-3.1 -58,-0.7 -2,-0.4 2,-0.5 -0.879 18.4-171.7 -99.0 118.7 31.7 15.7 15.1 177 180 A L E - e 0 209B 0 31,-2.7 33,-3.0 -2,-0.6 2,-0.6 -0.944 5.1-169.5-110.7 127.0 34.9 14.5 13.4 178 181 A N E - e 0 210B 7 -2,-0.5 33,-0.2 31,-0.2 31,-0.1 -0.947 12.9-162.5-118.6 108.2 34.6 11.8 10.7 179 182 A T S S+ 0 0 2 31,-1.4 2,-0.2 -2,-0.6 35,-0.2 -0.979 81.0 29.8-141.1 130.9 37.9 10.3 9.6 180 183 A P S S- 0 0 0 0, 0.0 33,-0.4 0, 0.0 -1,-0.3 0.589 110.2-129.0 -61.7 147.9 38.4 8.7 7.1 181 184 A N > - 0 0 3 5,-2.5 4,-2.4 -2,-0.2 155,-0.2 -0.513 11.2-127.2 -82.2 133.4 35.6 10.9 5.8 182 185 A N T 4 S+ 0 0 3 -2,-0.3 -60,-0.3 1,-0.2 152,-0.1 -0.985 92.8 15.0-103.5 124.8 32.5 9.7 4.0 183 186 A P T 4 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 213,-0.2 -0.973 132.2 42.3 -94.4 -7.1 31.8 10.9 1.2 184 187 A L T 4 S- 0 0 0 -64,-0.2 154,-0.4 153,-0.1 -2,-0.2 0.770 86.9-134.6 -82.9 -32.4 35.1 12.6 0.4 185 188 A G < + 0 0 0 -4,-2.4 147,-2.0 1,-0.3 148,-1.2 0.645 45.0 159.4 83.8 18.1 37.7 9.9 1.5 186 189 A K - 0 0 0 145,-0.2 -5,-2.5 146,-0.2 2,-0.6 -0.545 31.3-153.3 -72.4 135.7 39.9 12.4 3.4 187 190 A V - 0 0 10 -2,-0.3 2,-0.1 -7,-0.2 35,-0.1 -0.955 24.3-127.0-107.5 113.7 42.2 11.0 6.0 188 191 A F - 0 0 2 -2,-0.6 36,-0.4 36,-0.1 2,-0.1 -0.423 22.6-131.2 -68.0 133.0 42.9 13.7 8.6 189 192 A S > - 0 0 50 -2,-0.1 4,-2.4 -34,-0.1 5,-0.2 -0.338 23.1-106.5 -76.5 162.9 46.6 14.4 9.2 190 193 A R H > S+ 0 0 121 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.903 122.6 53.0 -51.2 -46.6 48.2 14.6 12.6 191 194 A E H > S+ 0 0 160 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.938 109.3 47.5 -56.0 -50.1 48.5 18.4 12.1 192 195 A E H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.880 113.3 48.6 -60.7 -39.5 44.8 18.7 11.3 193 196 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.875 107.1 55.0 -69.1 -37.3 43.9 16.6 14.3 194 197 A E H X S+ 0 0 97 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.874 107.2 51.9 -63.6 -35.8 46.1 18.6 16.6 195 198 A L H X S+ 0 0 36 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.937 112.0 44.4 -62.5 -50.0 44.2 21.7 15.5 196 199 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.940 115.0 50.0 -60.5 -46.3 40.8 20.2 16.3 197 200 A A H X S+ 0 0 3 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.892 107.5 53.5 -59.4 -43.6 42.3 18.9 19.6 198 201 A S H X S+ 0 0 58 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.918 112.7 43.0 -60.0 -44.8 43.7 22.3 20.5 199 202 A L H X S+ 0 0 9 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.851 111.8 53.4 -72.1 -36.8 40.3 24.1 20.0 200 203 A C H X>S+ 0 0 0 -4,-2.5 5,-2.7 -5,-0.2 4,-0.6 0.880 113.7 44.1 -62.9 -37.8 38.3 21.3 21.8 201 204 A Q H <5S+ 0 0 87 -4,-2.1 3,-0.4 -5,-0.2 -2,-0.2 0.909 113.6 49.9 -72.4 -42.8 40.6 21.7 24.8 202 205 A Q H <5S+ 0 0 142 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