==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-OCT-08 2ZUI . COMPND 2 MOLECULE: CAMPHOR 5-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR K.SAKURAI,K.HARADA,H.SHIMADA,K.SHIMOKATA,T.HAYASHI, . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16863.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 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 . 13 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 0 3 0 0 2 0 3 1 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 10 A N 0 0 176 0, 0.0 2,-0.5 0, 0.0 49,-0.4 0.000 360.0 360.0 360.0 -4.6 -1.2 9.4 2.2 2 11 A L - 0 0 66 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.950 360.0-138.8-118.2 118.4 -4.0 7.0 1.0 3 12 A A - 0 0 25 45,-2.9 49,-0.0 -2,-0.5 46,-0.0 -0.413 38.4 -88.6 -71.0 146.3 -4.8 3.9 2.9 4 13 A P - 0 0 122 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.259 50.6-103.0 -54.9 139.0 -5.5 0.7 0.8 5 14 A L - 0 0 60 -3,-0.1 6,-0.1 1,-0.1 43,-0.0 -0.485 37.1-118.2 -67.0 122.1 -9.2 0.5 -0.1 6 15 A P > - 0 0 32 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.343 24.9-112.5 -60.2 148.6 -11.0 -2.1 2.1 7 16 A P T 3 S+ 0 0 141 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.722 113.5 53.2 -53.6 -29.3 -12.5 -5.1 0.2 8 17 A H T 3 S+ 0 0 49 2,-0.1 294,-0.2 294,-0.0 -3,-0.0 0.451 88.4 92.3 -88.3 -3.7 -16.1 -4.0 1.0 9 18 A V < - 0 0 9 -3,-2.0 2,-0.2 292,-0.1 5,-0.0 -0.827 70.0-138.7 -98.4 120.5 -15.8 -0.4 -0.3 10 19 A P > - 0 0 48 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.504 15.5-124.9 -79.6 146.3 -16.7 0.2 -4.0 11 20 A E G > S+ 0 0 125 1,-0.3 3,-1.8 -2,-0.2 35,-0.1 0.800 104.9 66.9 -54.8 -34.4 -14.6 2.5 -6.1 12 21 A H G 3 S+ 0 0 147 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.636 99.8 51.6 -69.5 -12.0 -17.6 4.7 -7.1 13 22 A L G < S+ 0 0 15 -3,-1.8 33,-2.9 32,-0.1 2,-0.4 0.403 82.6 115.2 -99.7 1.0 -18.0 5.9 -3.5 14 23 A V B < +a 46 0A 25 -3,-1.8 2,-0.3 -4,-0.2 33,-0.2 -0.606 27.8 158.7 -79.9 123.5 -14.3 6.9 -3.1 15 24 A F - 0 0 62 31,-2.8 2,-2.4 -2,-0.4 30,-0.1 -0.887 34.1-143.7-144.2 105.2 -13.8 10.7 -2.6 16 25 A D + 0 0 59 -2,-0.3 2,-0.3 31,-0.2 31,-0.1 -0.346 32.4 167.7 -82.0 63.3 -10.4 11.3 -1.0 17 26 A F - 0 0 6 -2,-2.4 2,-0.7 32,-0.1 32,-0.3 -0.567 25.1-149.8 -74.5 134.5 -11.3 14.3 1.2 18 27 A D > - 0 0 44 -2,-0.3 3,-1.5 3,-0.1 -2,-0.0 -0.897 5.7-164.5-111.1 103.8 -8.7 15.2 3.8 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.650 90.0 49.0 -64.1 -15.7 -10.4 16.6 6.9 20 29 A Y T 3 S+ 0 0 48 1,-0.2 364,-0.4 365,-0.1 -1,-0.3 0.503 131.5 13.7 -99.2 -8.8 -7.0 18.0 8.2 21 30 A N S < S- 0 0 102 -3,-1.5 -1,-0.2 362,-0.1 -2,-0.2 -0.333 79.8-166.3-161.8 65.1 -6.0 19.7 4.9 22 31 A P > - 0 0 1 0, 0.0 3,-1.9 0, 0.0 11,-0.1 -0.341 26.8-123.0 -68.5 143.7 -9.0 19.9 2.5 23 32 A S T 3 S+ 0 0 119 1,-0.3 3,-0.4 2,-0.1 9,-0.1 0.821 108.3 48.0 -56.8 -34.9 -8.1 20.7 -1.1 24 33 A N T > S+ 0 0 59 8,-0.3 3,-2.1 1,-0.2 4,-0.3 0.151 72.8 125.9 -95.2 23.6 -10.3 23.8 -1.4 25 34 A L G X + 0 0 20 -3,-1.9 3,-2.0 1,-0.3 357,-0.4 0.796 61.9 65.8 -53.3 -34.7 -9.1 25.3 1.9 26 35 A S G 3 S+ 0 0 91 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.739 94.3 61.3 -63.7 -22.1 -8.1 28.7 0.3 27 36 A A G < S- 0 0 48 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.587 130.5 -74.4 -73.8 -12.6 -11.8 29.3 -0.5 28 37 A G <> - 0 0 9 -3,-2.0 4,-2.3 -4,-0.3 -1,-0.3 -0.186 42.8-100.9 117.9 140.5 -12.7 29.2 3.2 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.923 122.7 49.7 -66.6 -41.7 -12.9 26.1 5.4 30 39 A Q H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.932 113.2 48.9 -58.8 -42.3 -16.7 25.9 5.2 31 40 A E H > S+ 0 0 59 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.868 108.7 53.8 -61.2 -38.2 -16.4 26.3 1.4 32 41 A A H >< S+ 0 0 1 -4,-2.3 3,-0.7 1,-0.2 -8,-0.3 0.889 112.2 42.8 -67.8 -39.5 -13.8 23.6 1.4 33 42 A W H >< S+ 0 0 0 -4,-2.2 3,-2.1 1,-0.2 -1,-0.2 0.834 103.0 68.4 -73.4 -32.5 -16.0 21.1 3.2 34 43 A A H >< S+ 0 0 15 -4,-2.2 3,-2.2 1,-0.3 -1,-0.2 0.622 76.4 82.2 -65.9 -12.3 -19.0 22.1 1.1 35 44 A V G X< S+ 0 0 30 -3,-0.7 3,-1.3 -4,-0.5 -1,-0.3 0.789 81.9 66.9 -58.2 -23.7 -17.3 20.4 -1.9 36 45 A L G < S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.577 96.0 55.9 -71.8 -9.8 -18.8 17.3 -0.4 37 46 A Q G < S+ 0 0 19 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.092 74.3 126.8-112.8 18.9 -22.3 18.7 -1.2 38 47 A E S X S- 0 0 118 -3,-1.3 3,-2.2 1,-0.1 -3,-0.0 -0.480 75.9-106.3 -71.1 151.9 -21.8 19.2 -4.9 39 48 A S T 3 S+ 0 0 119 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.741 116.6 53.5 -57.3 -29.7 -24.5 17.5 -7.0 40 49 A N T 3 S+ 0 0 127 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.467 88.5 95.1 -83.6 -4.6 -22.3 14.6 -8.3 41 50 A V S < S- 0 0 8 -3,-2.2 -28,-0.1 -6,-0.1 4,-0.1 -0.808 76.3-124.9 -95.0 125.8 -21.2 13.6 -4.8 42 51 A P - 0 0 47 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.105 24.0-109.1 -59.0 162.6 -23.2 10.7 -3.1 43 52 A D S S+ 0 0 47 1,-0.2 14,-3.0 256,-0.1 15,-0.6 0.720 109.2 33.3 -64.1 -25.1 -24.8 11.2 0.4 44 53 A L E S+ B 0 56A 3 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.974 75.5 172.8-140.9 118.8 -22.1 8.8 1.8 45 54 A V E - B 0 55A 1 10,-2.3 10,-2.5 -2,-0.4 2,-0.5 -0.813 26.2-129.9-124.4 162.2 -18.5 8.5 0.5 46 55 A W E -aB 14 54A 9 -33,-2.9 -31,-2.8 -2,-0.3 2,-0.4 -0.963 18.2-162.0-111.6 128.8 -15.3 6.8 1.5 47 56 A T E - B 0 53A 0 6,-2.8 6,-2.2 -2,-0.5 -31,-0.2 -0.915 14.6-154.3-106.3 140.3 -12.1 8.7 1.8 48 57 A R > + 0 0 69 -2,-0.4 -45,-2.9 4,-0.2 3,-0.6 0.481 66.9 104.4 -87.4 -1.9 -8.7 6.9 1.8 49 58 A C G > S+ 0 0 7 -32,-0.3 3,-2.3 1,-0.2 -47,-0.1 -0.333 76.7 18.5 -75.1 158.1 -7.2 9.8 3.7 50 59 A N G 3 S- 0 0 43 -49,-0.4 31,-0.4 1,-0.3 -1,-0.2 0.806 141.9 -45.5 53.1 37.6 -6.4 9.7 7.4 51 60 A G G < S- 0 0 61 -3,-0.6 -1,-0.3 -50,-0.3 -2,-0.2 0.222 105.2 -72.2 94.5 -12.4 -6.4 5.9 7.6 52 61 A G < + 0 0 3 -3,-2.3 256,-0.3 1,-0.1 2,-0.3 0.504 65.9 160.8 93.9 125.7 -9.7 5.5 5.6 53 62 A H E -B 47 0A 0 -6,-2.2 -6,-2.8 254,-0.1 256,-0.2 -0.984 36.9 -99.3-165.7 157.9 -13.2 6.3 6.8 54 63 A W E -Bc 46 309A 0 254,-2.8 256,-3.0 -2,-0.3 2,-0.4 -0.439 28.1-157.6 -75.5 156.8 -16.7 7.1 5.7 55 64 A I E -Bc 45 310A 0 -10,-2.5 -10,-2.3 254,-0.2 2,-0.5 -0.957 8.6-149.0-135.3 123.2 -18.1 10.6 5.5 56 65 A A E -B 44 0A 0 254,-2.2 -12,-0.2 -2,-0.4 259,-0.1 -0.788 15.4-172.5 -82.8 129.1 -21.9 11.4 5.6 57 66 A T + 0 0 0 -14,-3.0 2,-0.4 -2,-0.5 -13,-0.1 0.511 54.9 64.8-106.8 -6.4 -22.2 14.5 3.5 58 67 A R S > S- 0 0 3 -15,-0.6 4,-2.4 1,-0.1 3,-0.5 -0.930 77.7-123.0-127.2 143.2 -25.9 15.5 4.1 59 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.9 256,-0.3 5,-0.3 0.835 108.3 60.2 -47.6 -41.8 -27.8 16.7 7.1 60 69 A Q H > S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.939 112.2 37.2 -57.3 -49.5 -30.4 13.9 6.9 61 70 A L H > S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.869 115.1 54.4 -68.6 -40.3 -27.7 11.2 7.3 62 71 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.942 112.6 43.9 -61.7 -47.0 -25.6 13.1 9.8 63 72 A R H X S+ 0 0 54 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.942 113.3 50.9 -63.3 -46.9 -28.7 13.6 12.0 64 73 A E H X S+ 0 0 67 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.912 111.7 47.0 -57.2 -46.5 -29.8 9.9 11.6 65 74 A A H < S+ 0 0 0 -4,-2.6 7,-0.2 1,-0.2 -1,-0.2 0.883 110.0 52.7 -68.0 -37.6 -26.4 8.6 12.5 66 75 A Y H < S+ 0 0 5 -4,-2.2 279,-0.5 1,-0.2 -1,-0.2 0.797 111.1 48.5 -66.9 -27.6 -26.1 10.9 15.6 67 76 A E H < S+ 0 0 110 -4,-1.8 2,-1.5 1,-0.2 -1,-0.2 0.827 100.6 69.2 -75.8 -35.2 -29.5 9.6 16.8 68 77 A D >X + 0 0 41 -4,-1.7 4,-2.4 1,-0.2 3,-0.6 -0.579 51.9 159.8 -93.1 77.2 -28.6 6.0 16.3 69 78 A Y T 34 + 0 0 70 -2,-1.5 -1,-0.2 1,-0.2 5,-0.1 0.645 67.8 70.7 -70.9 -14.5 -26.0 5.3 19.0 70 79 A R T 34 S+ 0 0 187 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.906 115.6 21.8 -69.0 -38.5 -26.7 1.6 18.8 71 80 A H T <4 S+ 0 0 52 -3,-0.6 222,-2.1 1,-0.2 2,-0.7 0.760 127.6 50.7 -92.8 -32.0 -25.1 1.4 15.4 72 81 A F E < S-D 292 0A 1 -4,-2.4 2,-0.2 -7,-0.2 -1,-0.2 -0.859 79.4-165.9-117.0 93.4 -22.9 4.5 15.6 73 82 A S E > -D 291 0A 3 218,-2.8 218,-2.2 -2,-0.7 3,-0.6 -0.556 25.9-147.4 -89.9 146.5 -20.9 4.5 18.8 74 83 A S T 3 S+ 0 0 1 -2,-0.2 -1,-0.1 1,-0.2 215,-0.1 0.367 77.2 100.1 -85.7 4.6 -19.0 7.3 20.5 75 84 A E T 3 S+ 0 0 143 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.847 98.5 23.3 -61.8 -30.4 -16.4 4.9 21.8 76 85 A C S < S+ 0 0 6 -3,-0.6 -1,-0.3 1,-0.1 8,-0.2 -0.761 80.1 155.6-134.3 79.2 -14.0 5.8 19.0 77 86 A P + 0 0 1 0, 0.0 212,-2.5 0, 0.0 2,-0.4 0.377 46.5 70.9 -98.9 -0.3 -15.2 9.3 18.0 78 87 A F S S- 0 0 15 210,-0.2 6,-0.6 2,-0.1 7,-0.1 -0.914 76.9-109.9-115.6 148.1 -12.2 10.9 16.4 79 88 A I S S+ 0 0 3 -2,-0.4 2,-0.2 4,-0.1 -28,-0.1 -0.922 90.7 58.6-104.8 138.1 -10.4 10.3 13.1 80 89 A P S >> S- 0 0 38 0, 0.0 4,-2.4 0, 0.0 3,-0.8 0.510 88.2-125.0 -77.2 172.1 -7.7 9.0 12.7 81 90 A R H 3> S+ 0 0 80 -31,-0.4 4,-2.9 1,-0.3 5,-0.2 0.851 108.7 57.5 -55.9 -40.4 -8.3 5.7 14.4 82 91 A E H 3> S+ 0 0 139 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.879 109.7 46.3 -60.0 -37.5 -5.3 6.1 16.8 83 92 A A H <> S+ 0 0 6 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.936 113.0 48.4 -68.9 -47.4 -6.9 9.4 18.0 84 93 A G H < S+ 0 0 0 -4,-2.4 -2,-0.2 -6,-0.6 -1,-0.2 0.868 112.2 50.0 -60.8 -37.5 -10.3 7.9 18.4 85 94 A E H < S+ 0 0 130 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.932 114.3 43.3 -67.2 -43.8 -8.9 4.9 20.2 86 95 A A H < S+ 0 0 19 -4,-2.1 2,-0.3 -5,-0.2 -2,-0.2 0.770 90.2 104.1 -70.2 -26.9 -6.9 7.0 22.7 87 96 A Y < + 0 0 12 -4,-2.0 -9,-0.1 1,-0.2 98,-0.0 -0.422 34.0 151.8 -63.8 117.8 -9.9 9.4 23.1 88 97 A D + 0 0 36 -2,-0.3 -1,-0.2 -12,-0.1 5,-0.1 0.140 15.4 144.0-137.0 21.9 -11.4 8.6 26.5 89 98 A F > - 0 0 3 3,-0.1 4,-2.5 145,-0.1 143,-0.2 -0.217 50.9 -92.6 -63.1 154.7 -13.0 11.9 27.6 90 99 A I T 4 S+ 0 0 0 141,-1.4 145,-0.2 1,-0.2 -1,-0.1 -0.968 98.0 3.5-118.4 133.5 -16.3 11.8 29.6 91 100 A P T >4 S+ 0 0 7 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.990 124.4 62.5 -89.9 -0.6 -19.1 12.0 28.6 92 101 A T T 34 S+ 0 0 28 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.707 99.5 52.6 -68.5 -24.3 -18.1 12.1 24.9 93 102 A S T 3< S+ 0 0 14 -4,-2.5 2,-0.3 -5,-0.1 -1,-0.3 0.379 100.8 81.8 -89.4 6.9 -16.4 8.6 24.7 94 103 A M < - 0 0 9 -3,-1.9 -6,-0.0 -5,-0.1 -5,-0.0 -0.848 64.9-147.5-112.6 147.3 -19.5 6.9 26.1 95 104 A D > - 0 0 37 -2,-0.3 4,-1.8 1,-0.1 3,-0.4 -0.713 43.6 -61.6 -95.7 157.5 -22.8 5.8 24.7 96 105 A P T 4 S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.472 113.5 41.9 -58.0 150.6 -26.1 5.7 26.5 97 106 A P T >> S+ 0 0 119 0, 0.0 3,-1.1 0, 0.0 4,-0.5 -0.943 126.9 33.7 -78.5 -25.2 -27.0 4.3 28.8 98 107 A E T 34 S+ 0 0 106 -3,-0.4 4,-0.4 1,-0.3 3,-0.4 0.789 111.8 63.5 -63.4 -29.6 -23.7 4.9 30.8 99 108 A Q T >X S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.2 4,-0.6 0.835 88.4 69.1 -57.2 -39.4 -23.1 8.3 29.3 100 109 A R H X> S+ 0 0 128 -3,-1.1 3,-1.4 1,-0.3 4,-0.8 0.841 87.4 59.7 -65.8 -38.7 -26.1 10.0 30.7 101 110 A Q H 3X S+ 0 0 45 -4,-0.5 4,-0.6 -3,-0.4 119,-0.4 0.789 102.3 56.3 -59.3 -27.0 -25.3 10.2 34.4 102 111 A F H <> S+ 0 0 1 -3,-1.2 4,-1.9 -4,-0.4 -1,-0.3 0.735 91.5 71.5 -79.4 -19.3 -22.2 12.2 33.7 103 112 A R H X S+ 0 0 3 -4,-0.6 4,-0.6 2,-0.2 3,-0.6 0.926 111.1 49.5 -67.4 -43.5 -22.3 16.8 36.7 106 115 A A H >X S+ 0 0 3 -4,-1.9 4,-1.9 1,-0.2 3,-1.3 0.896 106.5 58.2 -61.5 -37.1 -20.9 18.6 33.6 107 116 A N H 3X S+ 0 0 63 -4,-2.7 4,-1.8 1,-0.3 7,-0.4 0.809 96.8 62.4 -60.5 -31.1 -24.0 20.8 33.6 108 117 A Q H << S+ 0 0 120 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.707 113.1 34.7 -67.0 -21.5 -23.1 21.9 37.2 109 118 A V H << S+ 0 0 1 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.2 0.713 135.2 16.3-109.5 -22.3 -19.9 23.4 36.0 110 119 A V H < S+ 0 0 10 -4,-1.9 243,-0.5 100,-0.1 -3,-0.2 0.424 99.7 103.4-127.3 0.2 -20.6 24.8 32.5 111 120 A G S >X S- 0 0 0 -4,-1.8 4,-1.7 -5,-0.4 3,-0.9 0.023 88.5 -75.3 -80.6-174.0 -24.4 24.9 32.3 112 121 A M H 3> S+ 0 0 82 1,-0.3 4,-1.7 2,-0.2 -4,-0.1 0.853 125.0 56.1 -55.7 -47.4 -26.9 27.8 32.5 113 122 A P H 3> S+ 0 0 99 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.870 111.2 47.2 -54.9 -33.6 -26.8 28.4 36.3 114 123 A V 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124 133 A E H X S+ 0 0 121 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.893 110.7 47.2 -59.7 -43.7 -16.6 43.1 32.1 125 134 A L H X S+ 0 0 35 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.909 110.9 51.2 -68.7 -41.4 -13.8 41.2 30.3 126 135 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.950 113.3 45.6 -59.0 -49.8 -15.2 41.8 26.8 127 136 A C H X S+ 0 0 24 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.921 114.0 48.1 -60.2 -45.3 -15.6 45.5 27.4 128 137 A S H X S+ 0 0 77 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.936 113.2 46.6 -64.9 -45.2 -12.1 45.8 28.9 129 138 A L H X S+ 0 0 22 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.934 116.0 45.6 -61.2 -44.5 -10.4 43.9 26.1 130 139 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.918 111.1 51.5 -67.8 -44.2 -12.2 45.8 23.4 131 140 A E H < S+ 0 0 63 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.882 107.3 54.9 -59.3 -36.6 -11.6 49.2 25.0 132 141 A S H < S+ 0 0 84 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.881 115.1 38.5 -64.9 -36.1 -7.9 48.4 25.2 133 142 A L H >X S+ 0 0 12 -4,-1.5 3,-2.1 -5,-0.2 4,-0.6 0.839 97.4 83.4 -79.5 -34.7 -7.8 47.7 21.4 134 143 A R G >< S+ 0 0 37 -4,-2.7 3,-0.9 1,-0.3 -2,-0.1 0.799 90.1 44.9 -44.1 -52.2 -10.2 50.5 20.3 135 144 A P G 34 S+ 0 0 68 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.671 100.8 71.5 -72.6 -10.9 -7.7 53.5 20.2 136 145 A Q G <4 S- 0 0 104 -3,-2.1 -2,-0.2 -4,-0.2 -3,-0.1 0.743 88.8-142.2 -73.5 -27.9 -5.1 51.4 18.4 137 146 A G S << S+ 0 0 8 -3,-0.9 260,-2.2 -4,-0.6 2,-0.3 0.614 74.5 51.7 71.2 14.7 -6.9 51.3 15.1 138 147 A Q E +F 396 0B 118 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.969 56.4 174.2-167.1 157.2 -5.8 47.7 14.5 139 148 A C E -F 395 0B 4 256,-1.9 256,-2.6 -2,-0.3 2,-0.8 -0.973 38.9-121.7-159.2 162.4 -5.5 44.3 16.1 140 149 A N E > -F 394 0B 80 -2,-0.3 4,-2.8 254,-0.2 3,-0.4 -0.914 37.2-161.5 -97.7 93.4 -4.5 40.7 15.5 141 150 A F H >>S+ 0 0 0 252,-2.5 5,-2.5 -2,-0.8 4,-1.8 0.822 78.9 55.8 -58.6 -37.4 -8.0 39.5 16.4 142 151 A T H 4>S+ 0 0 15 1,-0.2 5,-2.0 3,-0.2 -1,-0.2 0.942 121.6 27.3 -59.9 -46.8 -7.1 35.8 17.0 143 152 A E H 45S+ 0 0 117 -3,-0.4 -2,-0.2 3,-0.2 -1,-0.2 0.802 123.3 50.7 -84.9 -28.6 -4.5 36.6 19.6 144 153 A D H <5S- 0 0 43 -4,-2.8 -3,-0.2 3,-0.1 -2,-0.2 0.680 134.9 -13.0 -87.1 -20.5 -5.9 39.9 20.9 145 154 A Y T X5S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.3 -3,-0.2 0.491 121.6 64.4-144.1 -51.9 -9.5 38.9 21.6 146 155 A A T 4 S+ 0 0 15 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.817 108.1 58.9 -63.4 -29.3 -8.0 35.6 25.6 149 158 A F H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 5,-0.2 0.993 117.5 26.4 -65.9 -61.8 -11.7 36.4 26.0 150 159 A P H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.894 123.6 53.0 -68.8 -34.4 -13.1 32.8 26.2 151 160 A I H X S+ 0 0 2 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.937 108.6 47.7 -69.1 -41.8 -9.9 31.3 27.5 152 161 A R H X S+ 0 0 86 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.889 111.7 51.7 -66.3 -33.7 -9.6 33.7 30.5 153 162 A I H X S+ 0 0 4 -4,-1.7 4,-2.7 -5,-0.3 -1,-0.2 0.941 112.2 46.5 -64.0 -44.3 -13.2 33.1 31.3 154 163 A F H X S+ 0 0 9 -4,-2.5 4,-2.7 86,-0.2 -2,-0.2 0.920 110.6 51.0 -63.8 -42.8 -12.6 29.4 31.3 155 164 A M H X>S+ 0 0 1 -4,-2.9 5,-2.5 2,-0.2 4,-0.6 0.885 111.2 49.9 -65.0 -35.9 -9.4 29.6 33.4 156 165 A L H ><5S+ 0 0 78 -4,-2.2 3,-1.1 -5,-0.2 -2,-0.2 0.960 111.8 47.6 -60.2 -52.9 -11.4 31.7 35.9 157 166 A L H 3<5S+ 0 0 4 -4,-2.7 53,-2.6 1,-0.3 -2,-0.2 0.885 116.9 43.1 -53.8 -43.9 -14.2 29.1 36.0 158 167 A A H 3<5S- 0 0 1 -4,-2.7 53,-0.3 51,-0.2 -1,-0.3 0.469 108.1-122.9 -85.6 -4.2 -11.7 26.3 36.4 159 168 A G T <<5 + 0 0 33 -3,-1.1 -3,-0.2 -4,-0.6 -4,-0.1 0.878 62.3 143.9 61.4 38.6 -9.5 28.1 39.0 160 169 A L < - 0 0 10 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.1 -0.880 55.5-102.7-111.4 143.6 -6.4 27.7 36.8 161 170 A P > - 0 0 59 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.367 19.7-134.8 -67.4 137.8 -3.6 30.3 36.4 162 171 A E G > S+ 0 0 104 1,-0.3 3,-1.9 2,-0.2 -7,-0.0 0.788 102.4 69.0 -60.7 -27.4 -3.6 32.4 33.3 163 172 A E G 3 S+ 0 0 166 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.675 91.1 63.0 -69.0 -10.6 0.2 31.8 32.9 164 173 A D G <> S+ 0 0 43 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.509 77.6 93.4 -86.0 -6.2 -0.7 28.2 32.1 165 174 A I H <> S+ 0 0 29 -3,-1.9 4,-3.4 1,-0.2 5,-0.4 0.907 77.3 54.5 -56.9 -50.2 -2.6 29.1 28.9 166 175 A P H > S+ 0 0 94 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.926 113.8 42.3 -54.3 -42.2 0.2 28.8 26.3 167 176 A H H > S+ 0 0 101 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.951 118.0 44.6 -67.1 -50.1 1.0 25.2 27.4 168 177 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.893 113.3 50.8 -63.8 -39.5 -2.7 24.2 27.7 169 178 A K H X S+ 0 0 18 -4,-3.4 4,-2.3 -5,-0.2 -1,-0.2 0.893 109.1 51.5 -66.1 -40.3 -3.7 25.8 24.4 170 179 A Y H X S+ 0 0 87 -4,-2.0 4,-1.3 -5,-0.4 -2,-0.2 0.946 112.4 45.8 -58.2 -50.1 -0.8 24.1 22.6 171 180 A L H X S+ 0 0 1 -4,-2.3 4,-0.7 1,-0.2 3,-0.5 0.925 111.4 51.4 -61.1 -45.8 -1.9 20.7 23.9 172 181 A T H >X S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.2 4,-0.7 0.920 107.5 53.7 -57.6 -44.4 -5.6 21.2 23.2 173 182 A D H 3X S+ 0 0 28 -4,-2.3 4,-2.9 1,-0.3 3,-0.5 0.771 99.9 61.3 -64.6 -26.6 -4.7 22.2 19.6 174 183 A Q H 3< S+ 0 0 9 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.732 102.7 52.5 -71.7 -19.6 -2.8 19.0 19.1 175 184 A M H << S+ 0 0 4 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.672 124.0 24.8 -83.5 -20.6 -6.0 17.1 19.7 176 185 A T H < S+ 0 0 2 -4,-0.7 210,-2.2 -3,-0.5 211,-0.4 0.724 140.8 14.2-114.4 -34.8 -8.0 19.0 17.1 177 186 A R S < S- 0 0 27 -4,-2.9 -2,-0.1 208,-0.2 208,-0.1 -0.508 81.8-159.6-142.1 64.4 -5.5 20.3 14.6 178 187 A P - 0 0 58 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.182 15.8-154.7 -57.4 134.7 -2.2 18.4 15.2 179 188 A D - 0 0 98 3,-0.1 -5,-0.1 1,-0.0 -6,-0.0 0.523 50.2-106.6 -81.1 -6.5 1.0 20.1 13.9 180 189 A G S S+ 0 0 67 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.222 99.6 101.5 100.9 -12.8 2.5 16.6 13.7 181 190 A S S S+ 0 0 75 1,-0.2 2,-0.4 2,-0.0 -7,-0.0 0.719 87.5 31.9 -75.1 -21.6 4.8 16.9 16.8 182 191 A M S S- 0 0 54 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.2 -0.999 74.2-132.9-138.0 138.0 2.5 15.0 19.0 183 192 A T > - 0 0 77 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.406 38.4-106.0 -73.1 162.9 0.1 12.1 18.5 184 193 A F H > S+ 0 0 16 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.934 123.2 54.9 -53.9 -45.5 -3.4 12.5 20.1 185 194 A A H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.900 108.4 47.3 -58.5 -41.8 -2.3 10.0 22.8 186 195 A E H > S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 114.2 46.8 -66.7 -42.6 0.8 12.1 23.7 187 196 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.917 112.8 49.0 -63.6 -45.8 -1.2 15.3 23.8 188 197 A K H X S+ 0 0 16 -4,-3.1 4,-2.5 -5,-0.2 -2,-0.2 0.938 111.6 49.4 -61.3 -44.7 -4.0 13.7 25.9 189 198 A E H X S+ 0 0 101 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.869 108.7 52.4 -62.7 -39.3 -1.4 12.2 28.3 190 199 A A H X S+ 0 0 24 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.886 109.6 50.3 -61.8 -38.7 0.3 15.6 28.7 191 200 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.924 111.8 46.9 -64.5 -43.2 -3.0 17.1 29.5 192 201 A Y H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.875 106.2 58.9 -64.9 -36.3 -3.7 14.4 32.1 193 202 A D H < S+ 0 0 123 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.899 109.8 44.8 -56.7 -42.2 -0.1 15.0 33.5 194 203 A Y H X S+ 0 0 33 -4,-1.8 4,-0.6 1,-0.2 -2,-0.2 0.936 117.3 43.6 -64.3 -48.6 -1.2 18.6 34.1 195 204 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 3,-0.3 0.822 96.6 75.2 -74.9 -27.7 -4.6 17.6 35.6 196 205 A I H X S+ 0 0 85 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.873 98.9 40.5 -53.4 -56.8 -3.5 14.7 37.9 197 206 A P H > S+ 0 0 72 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.837 117.2 51.8 -64.2 -27.3 -1.8 16.7 40.7 198 207 A I H X S+ 0 0 27 -4,-0.6 4,-2.3 -3,-0.3 -2,-0.2 0.904 108.1 48.6 -79.4 -42.2 -4.6 19.4 40.6 199 208 A I H X S+ 0 0 6 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.912 112.6 49.9 -59.7 -44.4 -7.5 16.9 40.8 200 209 A E H >X S+ 0 0 128 -4,-2.0 4,-1.9 -5,-0.2 3,-0.6 0.946 111.4 49.2 -57.1 -52.2 -5.7 15.2 43.8 201 210 A Q H 3X S+ 0 0 130 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.886 112.4 47.2 -57.5 -40.9 -5.2 18.6 45.5 202 211 A R H 3< S+ 0 0 45 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.660 108.2 54.0 -85.9 -12.6 -8.8 19.6 45.0 203 212 A R H << S+ 0 0 84 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.776 114.8 43.1 -78.5 -32.1 -10.2 16.3 46.3 204 213 A Q H < S+ 0 0 151 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.896 134.6 17.1 -75.0 -42.3 -8.1 16.8 49.4 205 214 A K S < S- 0 0 167 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.761 86.7-153.0-135.2 82.0 -9.0 20.5 49.8 206 215 A P - 0 0 81 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.305 13.3-175.7 -62.8 136.5 -12.1 21.4 47.7 207 216 A G - 0 0 40 2,-0.1 -48,-0.0 -5,-0.1 0, 0.0 -0.320 40.3-101.1-104.3-159.6 -12.6 24.9 46.3 208 217 A T S S+ 0 0 126 -2,-0.2 -49,-0.1 4,-0.1 2,-0.0 0.339 82.7 112.0-109.0 3.4 -15.6 26.3 44.4 209 218 A D S > S- 0 0 22 -51,-0.1 4,-2.3 1,-0.1 -51,-0.2 -0.243 84.1-101.6 -74.1 164.4 -14.0 26.1 40.9 210 219 A A H > S+ 0 0 4 -53,-2.6 4,-2.6 1,-0.2 5,-0.2 0.823 120.5 54.0 -59.1 -36.2 -15.1 23.7 38.2 211 220 A I H > S+ 0 0 7 -53,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.946 110.0 47.0 -67.3 -45.4 -12.3 21.2 38.8 212 221 A S H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.898 112.5 50.7 -57.7 -42.9 -13.2 21.0 42.5 213 222 A I H < S+ 0 0 59 -4,-2.3 4,-0.2 2,-0.2 -2,-0.2 0.946 115.4 41.0 -65.7 -45.2 -16.9 20.6 41.7 214 223 A V H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.953 114.7 52.0 -64.1 -46.9 -16.2 17.8 39.2 215 224 A A H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.732 118.2 36.7 -66.2 -25.3 -13.6 16.1 41.3 216 225 A N T 3< S+ 0 0 72 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.228 98.8 121.5-106.6 10.2 -15.9 16.0 44.4 217 226 A G < - 0 0 10 -3,-1.5 7,-2.5 -4,-0.2 2,-0.4 -0.114 55.1-132.3 -75.3 168.8 -19.0 15.3 42.4 218 227 A Q E -H 223 0C 135 5,-0.2 2,-0.5 3,-0.0 -1,-0.1 -0.889 8.3-155.1-115.1 146.4 -21.6 12.5 42.5 219 228 A V E > S-H 222 0C 1 3,-2.9 3,-1.7 -2,-0.4 -117,-0.1 -0.986 81.7 -21.9-125.0 121.2 -22.9 10.7 39.4 220 229 A N T 3 S- 0 0 128 -2,-0.5 -1,-0.1 -119,-0.4 -118,-0.1 0.884 129.8 -49.6 38.7 50.0 -26.3 9.2 39.9 221 230 A G T 3 S+ 0 0 64 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.441 119.1 95.5 82.8 3.2 -25.8 9.2 43.7 222 231 A R E < S-H 219 0C 84 -3,-1.7 -3,-2.9 1,-0.0 -1,-0.2 -0.882 82.1 -89.7-122.4 156.0 -22.4 7.6 43.9 223 232 A P E -H 218 0C 100 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 -0.364 37.3-120.1 -67.0 139.2 -18.9 9.3 44.1 224 233 A I - 0 0 3 -7,-2.5 2,-0.2 -10,-0.2 3,-0.0 -0.493 31.2-120.0 -65.8 145.3 -17.1 10.1 41.0 225 234 A T > - 0 0 65 -2,-0.1 4,-2.6 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