==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-FEB-05 1YRC . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR F.MEILLEUR,M.-T.DAUVERGNE,I.SCHLICHTING,D.A.A.MYLES . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17011.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 68.6 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 . 18 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 37.5 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 1 2 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 0 185 0, 0.0 2,-0.5 0, 0.0 49,-0.4 0.000 360.0 360.0 360.0 110.1 30.8 22.4 60.2 2 11 A L - 0 0 85 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.874 360.0-134.5-104.3 124.7 27.9 24.6 61.2 3 12 A A - 0 0 19 45,-2.9 49,-0.0 -2,-0.5 46,-0.0 -0.437 39.1 -87.2 -74.1 148.2 27.1 27.7 59.2 4 13 A P - 0 0 123 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.301 50.5-104.4 -58.1 134.9 26.3 31.0 61.1 5 14 A L - 0 0 66 1,-0.1 6,-0.1 -3,-0.1 43,-0.0 -0.408 36.4-116.6 -63.8 124.8 22.7 31.2 61.9 6 15 A P > - 0 0 32 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.289 26.3-110.8 -60.8 149.3 20.8 33.8 59.7 7 16 A P T 3 S+ 0 0 143 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.714 114.5 51.4 -53.5 -26.9 19.4 36.8 61.5 8 17 A H T 3 S+ 0 0 42 2,-0.1 294,-0.2 294,-0.0 -3,-0.0 0.470 87.7 94.1 -93.9 -2.0 15.8 35.7 60.9 9 18 A V < - 0 0 9 -3,-1.8 2,-0.2 292,-0.1 5,-0.0 -0.817 68.1-141.4 -97.0 119.1 16.1 32.2 62.2 10 19 A P > - 0 0 50 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.511 16.2-125.1 -77.4 145.2 15.1 31.6 65.9 11 20 A E G > S+ 0 0 173 1,-0.3 3,-1.6 -2,-0.2 35,-0.1 0.771 104.0 68.2 -61.0 -28.1 17.2 29.2 68.0 12 21 A H G 3 S+ 0 0 138 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.668 99.2 52.1 -68.7 -13.0 14.3 27.1 69.1 13 22 A L G < S+ 0 0 17 -3,-1.6 33,-2.9 32,-0.1 2,-0.4 0.409 83.1 115.8-100.1 0.9 13.9 25.9 65.5 14 23 A V B < +a 46 0A 38 -3,-1.6 2,-0.3 31,-0.2 33,-0.2 -0.590 28.4 160.1 -78.7 125.3 17.5 24.8 65.1 15 24 A F - 0 0 62 31,-2.7 2,-2.2 -2,-0.4 30,-0.1 -0.883 33.0-143.4-144.5 104.1 18.0 21.1 64.6 16 25 A D + 0 0 58 -2,-0.3 2,-0.3 31,-0.2 31,-0.1 -0.379 33.2 165.9 -75.8 67.6 21.4 20.3 63.0 17 26 A F - 0 0 8 -2,-2.2 2,-0.7 32,-0.1 32,-0.3 -0.660 26.2-150.4 -83.5 133.6 20.5 17.4 60.8 18 27 A D > - 0 0 45 -2,-0.3 3,-1.5 3,-0.1 -2,-0.0 -0.891 5.2-165.1-108.8 102.5 23.2 16.5 58.2 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.674 89.3 49.7 -61.3 -17.6 21.4 15.0 55.1 20 29 A Y T 3 S+ 0 0 47 1,-0.2 364,-0.4 -3,-0.1 -1,-0.3 0.532 131.1 13.0 -98.9 -6.8 24.7 13.7 53.8 21 30 A N S < S- 0 0 103 -3,-1.5 -1,-0.2 362,-0.1 -2,-0.2 -0.316 81.8-164.1-164.7 65.6 25.8 12.0 57.0 22 31 A P > - 0 0 2 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.278 26.5-119.7 -61.9 141.9 22.9 11.8 59.5 23 32 A S T 3 S+ 0 0 125 1,-0.3 3,-0.4 9,-0.1 10,-0.1 0.820 109.7 42.2 -48.4 -44.9 23.7 11.0 63.1 24 33 A N T > S+ 0 0 64 8,-0.2 3,-2.0 1,-0.2 -1,-0.3 0.036 73.0 127.4 -98.0 29.7 21.6 7.8 63.4 25 34 A L G X + 0 0 18 -3,-1.8 3,-2.1 1,-0.3 357,-0.3 0.806 62.1 68.9 -54.0 -34.2 22.7 6.4 60.1 26 35 A S G 3 S+ 0 0 100 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.725 93.4 58.4 -59.9 -22.4 23.8 3.1 61.7 27 36 A A G < S- 0 0 49 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.520 131.6 -72.3 -85.0 -5.0 20.1 2.3 62.4 28 37 A G <> - 0 0 9 -3,-2.1 4,-2.2 -4,-0.3 -1,-0.3 -0.152 43.3-101.2 120.7 142.2 19.2 2.5 58.7 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.908 121.9 49.5 -64.7 -41.5 18.9 5.6 56.6 30 39 A Q H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 113.0 49.4 -61.7 -39.9 15.1 5.8 56.7 31 40 A E H 4 S+ 0 0 56 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.872 108.4 53.8 -64.2 -37.9 15.4 5.5 60.5 32 41 A A H >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 -8,-0.2 0.888 111.1 44.3 -65.3 -40.7 18.1 8.2 60.6 33 42 A W H >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.825 102.4 68.5 -72.9 -29.9 15.9 10.6 58.8 34 43 A A G >< S+ 0 0 23 -4,-1.9 3,-2.3 1,-0.3 -1,-0.2 0.641 77.1 80.5 -64.4 -14.4 12.9 9.7 60.9 35 44 A V G X S+ 0 0 25 -3,-0.8 3,-1.4 -4,-0.5 -1,-0.3 0.766 81.7 68.0 -63.2 -20.8 14.6 11.3 63.9 36 45 A L G < S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.598 97.1 53.7 -72.1 -10.9 13.2 14.5 62.4 37 46 A Q G < S+ 0 0 21 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.144 79.0 124.6-110.3 17.4 9.7 13.2 63.3 38 47 A E S X S- 0 0 103 -3,-1.4 3,-2.7 1,-0.1 -3,-0.0 -0.475 77.7-102.1 -77.0 151.4 10.4 12.5 67.0 39 48 A S T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.743 118.6 54.9 -42.0 -38.0 8.0 14.2 69.5 40 49 A N T 3 S+ 0 0 116 2,-0.0 -1,-0.3 0, 0.0 -4,-0.0 0.451 89.4 95.2 -81.9 0.8 10.4 17.0 70.4 41 50 A V S < S- 0 0 11 -3,-2.7 -28,-0.1 -6,-0.1 4,-0.1 -0.814 72.3-127.1-102.4 128.0 11.0 18.1 66.8 42 51 A P - 0 0 47 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.176 26.6-111.1 -62.4 159.1 9.0 21.1 65.2 43 52 A D S S+ 0 0 56 1,-0.2 14,-3.1 256,-0.1 15,-0.5 0.823 108.8 29.9 -60.2 -34.0 7.2 20.6 61.9 44 53 A L E S+ B 0 56A 5 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.981 78.7 174.5-133.6 119.5 9.8 22.9 60.2 45 54 A V E - B 0 55A 0 10,-2.2 10,-2.1 -2,-0.4 2,-0.5 -0.759 25.9-129.4-122.2 167.6 13.3 23.2 61.5 46 55 A W E -aB 14 54A 9 -33,-2.9 -31,-2.7 -2,-0.3 2,-0.4 -0.973 18.1-161.8-119.0 127.2 16.6 24.9 60.4 47 56 A T E - B 0 53A 0 6,-2.9 6,-2.1 -2,-0.5 -31,-0.2 -0.890 14.8-154.3-108.3 141.2 19.8 23.0 60.2 48 57 A R > + 0 0 79 -2,-0.4 -45,-2.9 4,-0.2 3,-0.6 0.466 66.2 106.6 -88.8 -1.8 23.2 24.8 60.2 49 58 A C G > S+ 0 0 12 -32,-0.3 3,-2.3 1,-0.2 -2,-0.1 -0.345 77.1 15.5 -75.9 158.0 24.6 21.8 58.3 50 59 A N G 3 S- 0 0 45 -49,-0.4 31,-0.3 1,-0.3 -1,-0.2 0.807 141.8 -44.4 49.0 40.3 25.6 22.0 54.6 51 60 A G G < S- 0 0 56 -3,-0.6 -1,-0.3 -50,-0.3 -2,-0.2 0.232 105.3 -72.7 94.2 -14.0 25.4 25.7 54.4 52 61 A G < + 0 0 3 -3,-2.3 256,-0.3 1,-0.1 2,-0.3 0.469 64.8 160.6 95.3 124.3 22.2 26.1 56.4 53 62 A H E -B 47 0A 0 -6,-2.1 -6,-2.9 254,-0.1 256,-0.2 -0.984 36.7-100.3-168.0 160.3 18.7 25.3 55.2 54 63 A W E -Bc 46 309A 0 254,-2.8 256,-3.0 -2,-0.3 2,-0.3 -0.431 27.6-157.9 -82.1 162.4 15.1 24.6 56.3 55 64 A I E -Bc 45 310A 0 -10,-2.1 -10,-2.2 254,-0.2 2,-0.5 -0.949 8.8-148.6-144.4 119.8 13.7 21.1 56.5 56 65 A A E -B 44 0A 0 254,-2.3 -12,-0.2 -2,-0.3 259,-0.1 -0.795 15.4-172.5 -85.6 128.9 10.0 20.3 56.4 57 66 A T + 0 0 0 -14,-3.1 2,-0.4 -2,-0.5 -13,-0.1 0.516 54.9 65.9-105.1 -5.4 9.6 17.2 58.5 58 67 A R S > S- 0 0 8 -15,-0.5 4,-2.5 1,-0.1 3,-0.4 -0.917 77.4-124.1-122.6 146.9 5.9 16.2 58.0 59 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.9 256,-0.3 5,-0.3 0.839 108.3 60.1 -52.5 -39.1 4.0 15.0 54.9 60 69 A Q H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.940 111.9 37.8 -57.3 -49.5 1.5 17.9 55.2 61 70 A L H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.886 115.1 54.3 -69.7 -40.0 4.1 20.6 54.9 62 71 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.938 112.5 43.6 -60.0 -46.9 6.1 18.6 52.3 63 72 A R H X S+ 0 0 54 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.926 113.0 51.6 -65.2 -45.4 3.1 18.2 50.1 64 73 A E H X S+ 0 0 68 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.912 111.0 47.9 -58.8 -43.5 1.9 21.8 50.5 65 74 A A H < S+ 0 0 0 -4,-2.6 7,-0.3 1,-0.2 -1,-0.2 0.908 109.8 51.5 -66.2 -41.6 5.4 23.1 49.6 66 75 A Y H < S+ 0 0 6 -4,-2.1 279,-0.5 1,-0.2 -1,-0.2 0.769 111.4 49.0 -66.9 -23.6 5.6 20.9 46.5 67 76 A E H < S+ 0 0 110 -4,-1.5 2,-1.4 1,-0.2 -1,-0.2 0.821 100.5 68.4 -82.3 -32.4 2.2 22.1 45.3 68 77 A D >X + 0 0 39 -4,-1.7 4,-2.6 1,-0.2 3,-0.7 -0.567 53.1 158.5 -91.4 76.4 3.1 25.8 45.8 69 78 A Y T 34 + 0 0 64 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.663 66.4 71.5 -72.9 -14.5 5.6 26.5 43.1 70 79 A R T 34 S+ 0 0 189 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.873 116.3 22.1 -67.5 -36.0 4.9 30.2 43.2 71 80 A H T <4 S+ 0 0 52 -3,-0.7 222,-2.2 1,-0.2 2,-0.8 0.770 126.2 51.5 -98.3 -34.8 6.7 30.3 46.6 72 81 A F E < S-D 292 0A 0 -4,-2.6 2,-0.2 -7,-0.3 -1,-0.2 -0.842 78.2-165.9-111.3 95.6 8.8 27.2 46.5 73 82 A S E > -D 291 0A 4 218,-2.7 218,-2.3 -2,-0.8 3,-0.6 -0.544 24.5-149.4 -86.7 144.4 10.8 27.3 43.3 74 83 A S T 3 S+ 0 0 0 -2,-0.2 -1,-0.1 1,-0.2 215,-0.1 0.328 75.5 101.4 -90.4 8.3 12.7 24.4 41.7 75 84 A E T 3 S+ 0 0 130 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.849 97.0 25.5 -61.7 -30.9 15.3 26.7 40.2 76 85 A C S < S+ 0 0 9 -3,-0.6 -1,-0.3 1,-0.1 9,-0.2 -0.770 79.2 157.0-132.5 82.7 17.7 25.8 43.0 77 86 A P + 0 0 3 0, 0.0 212,-2.4 0, 0.0 2,-0.3 0.509 46.8 71.3 -88.5 -8.2 16.5 22.3 44.1 78 87 A F S S- 0 0 16 210,-0.2 6,-0.6 3,-0.1 7,-0.1 -0.831 75.7-108.8-115.4 153.5 19.6 20.8 45.7 79 88 A I S S+ 0 0 4 -2,-0.3 2,-0.2 4,-0.1 -28,-0.1 -0.911 90.7 55.6-112.2 140.5 21.5 21.4 48.9 80 89 A P S >> S- 0 0 28 0, 0.0 4,-2.3 0, 0.0 3,-0.8 0.581 88.1-124.5 -71.1 170.6 24.2 22.7 49.3 81 90 A R H 3> S+ 0 0 81 -31,-0.3 4,-3.0 1,-0.3 5,-0.3 0.845 109.1 59.9 -54.3 -38.8 23.6 26.0 47.6 82 91 A E H 3> S+ 0 0 129 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.896 109.9 43.2 -57.3 -41.3 26.5 25.6 45.2 83 92 A A H <> S+ 0 0 6 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.930 113.1 50.9 -70.5 -46.6 24.9 22.4 43.9 84 93 A G H < S+ 0 0 0 -4,-2.3 -2,-0.2 -6,-0.6 -1,-0.2 0.885 112.8 47.2 -58.9 -38.9 21.4 23.9 43.7 85 94 A E H < S+ 0 0 133 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.867 114.2 45.4 -72.3 -36.3 22.8 26.8 41.8 86 95 A A H < S+ 0 0 17 -4,-1.8 2,-0.3 -5,-0.3 -2,-0.2 0.806 89.8 103.1 -75.5 -27.6 24.8 24.7 39.4 87 96 A Y < + 0 0 13 -4,-2.4 -9,-0.1 1,-0.1 98,-0.0 -0.364 34.2 151.5 -58.9 116.3 21.8 22.3 38.9 88 97 A D + 0 0 35 -2,-0.3 -1,-0.1 -12,-0.1 143,-0.1 0.158 15.3 144.9-136.2 21.7 20.2 23.1 35.5 89 98 A F > - 0 0 3 145,-0.1 4,-2.6 1,-0.1 143,-0.2 -0.237 50.7 -93.0 -61.9 150.9 18.7 19.8 34.4 90 99 A I T 4 S+ 0 0 0 141,-1.6 145,-0.2 1,-0.2 -1,-0.1 -0.947 97.6 4.8-115.0 138.5 15.4 19.9 32.5 91 100 A P T >4 S+ 0 0 6 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 -0.998 124.2 61.3 -86.3 -5.0 12.6 19.8 33.5 92 101 A T T 34 S+ 0 0 26 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.762 99.8 53.5 -55.4 -33.7 13.5 19.7 37.2 93 102 A S T 3< S+ 0 0 11 -4,-2.6 2,-0.3 -18,-0.1 -1,-0.3 0.405 100.5 79.8 -84.0 5.6 15.3 23.1 37.4 94 103 A M < - 0 0 9 -3,-2.0 -6,-0.0 -5,-0.1 -5,-0.0 -0.861 66.6-145.8-115.4 148.2 12.2 24.9 35.9 95 104 A D > - 0 0 24 -2,-0.3 4,-1.9 1,-0.1 3,-0.3 -0.660 43.9 -61.3-102.4 161.3 8.9 25.9 37.4 96 105 A P T 4 S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.473 114.1 38.7 -69.3 157.1 5.6 25.9 35.6 97 106 A P T >> S+ 0 0 112 0, 0.0 3,-0.8 0, 0.0 4,-0.5 -0.954 127.3 38.1 -76.5 -27.3 4.6 27.4 33.2 98 107 A E T 34 S+ 0 0 106 -3,-0.3 4,-0.4 1,-0.2 3,-0.4 0.818 112.3 60.2 -50.6 -40.2 8.0 26.9 31.4 99 108 A Q T >X S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 4,-0.7 0.854 88.7 71.0 -58.9 -43.2 8.6 23.4 32.8 100 109 A R H X> S+ 0 0 128 -3,-0.8 3,-1.3 1,-0.2 4,-0.8 0.830 86.8 60.3 -46.9 -50.8 5.5 21.8 31.3 101 110 A Q H 3X S+ 0 0 43 -4,-0.5 4,-0.6 -3,-0.4 119,-0.4 0.777 102.9 54.1 -53.6 -29.6 6.5 21.6 27.6 102 111 A F H <> S+ 0 0 0 -3,-1.3 4,-1.9 -4,-0.4 -1,-0.3 0.738 92.3 70.6 -80.9 -21.6 9.5 19.5 28.4 103 112 A R H X S+ 0 0 2 -4,-1.9 4,-1.8 1,-0.2 3,-1.1 0.902 107.8 56.2 -64.2 -38.3 10.9 13.2 28.4 107 116 A N H 3X S+ 0 0 63 -4,-2.6 4,-1.9 1,-0.3 7,-0.3 0.832 98.8 62.8 -62.1 -31.4 7.8 11.0 28.6 108 117 A Q H 3< S+ 0 0 118 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.760 112.4 33.8 -65.2 -26.5 8.4 9.9 25.0 109 118 A V H << S+ 0 0 3 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.675 136.4 17.7-105.5 -19.9 11.7 8.3 25.9 110 119 A V H < S+ 0 0 11 -4,-1.8 243,-0.4 100,-0.1 -3,-0.2 0.303 101.1 106.5-132.0 7.1 11.2 6.9 29.4 111 120 A G S >X S- 0 0 0 -4,-1.9 4,-1.5 -5,-0.3 3,-1.1 0.015 88.1 -80.1 -78.7-172.7 7.4 6.9 29.7 112 121 A M H 3> S+ 0 0 72 1,-0.3 4,-2.2 2,-0.2 3,-0.4 0.917 125.0 59.0 -55.8 -51.3 4.9 4.0 29.6 113 122 A P H 34 S+ 0 0 85 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.735 110.2 46.5 -53.4 -21.3 4.8 3.6 25.8 114 123 A V H <> S+ 0 0 13 -3,-1.1 4,-1.5 -7,-0.3 -2,-0.2 0.806 109.5 52.8 -89.3 -34.5 8.6 2.9 26.1 115 124 A V H >X S+ 0 0 3 -4,-1.5 4,-1.4 -3,-0.4 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8 -3,-0.9 260,-2.1 -4,-0.7 2,-0.3 0.629 73.4 48.8 73.2 12.4 24.8 -19.5 46.6 138 147 A Q E < +F 396 0B 122 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.972 56.1 173.4-171.8 160.6 25.9 -16.0 47.2 139 148 A C E -F 395 0B 6 256,-1.8 256,-2.6 -2,-0.3 2,-0.9 -0.973 40.1-118.1-168.7 161.6 26.3 -12.5 45.6 140 149 A N E > -F 394 0B 80 -2,-0.3 4,-2.9 254,-0.2 3,-0.5 -0.901 38.3-161.6-105.6 91.5 27.2 -8.9 46.3 141 150 A F H >>S+ 0 0 0 252,-2.2 5,-2.4 -2,-0.9 4,-1.8 0.805 78.9 56.7 -49.9 -41.1 23.7 -7.7 45.4 142 151 A T H 4>S+ 0 0 14 1,-0.2 5,-1.7 3,-0.2 -1,-0.2 0.934 121.4 26.6 -61.2 -45.5 24.6 -4.1 44.8 143 152 A E H 45S+ 0 0 112 -3,-0.5 -2,-0.2 3,-0.2 -1,-0.2 0.745 123.3 51.2 -90.0 -22.7 27.2 -4.8 42.1 144 153 A D H <5S- 0 0 46 -4,-2.9 -3,-0.2 3,-0.1 -2,-0.2 0.684 134.9 -12.6 -88.9 -19.1 25.8 -8.1 40.9 145 154 A Y T X5S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 -3,-0.2 0.490 121.9 63.9-144.2 -53.9 22.2 -7.1 40.3 146 155 A A T 4 S+ 0 0 15 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.840 108.5 57.5 -58.1 -36.9 23.6 -4.0 36.2 149 158 A F H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 5,-0.2 0.993 118.3 26.3 -61.3 -65.1 19.9 -4.7 35.8 150 159 A P H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.902 123.5 52.8 -68.1 -35.6 18.5 -1.1 35.7 151 160 A I H X S+ 0 0 2 -4,-2.1 4,-2.9 -5,-0.2 5,-0.2 0.928 108.8 47.8 -66.8 -43.0 21.7 0.5 34.4 152 161 A R H X S+ 0 0 88 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.872 111.2 52.5 -65.7 -33.4 22.1 -1.9 31.4 153 162 A I H X S+ 0 0 3 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.924 112.3 45.6 -66.6 -41.0 18.4 -1.4 30.6 154 163 A F H X S+ 0 0 10 -4,-2.2 4,-2.6 86,-0.2 -2,-0.2 0.917 111.2 51.1 -67.9 -42.0 19.0 2.4 30.6 155 164 A M H X>S+ 0 0 1 -4,-2.9 5,-2.6 2,-0.2 4,-0.8 0.880 110.8 50.2 -63.0 -34.9 22.2 2.2 28.6 156 165 A L H ><5S+ 0 0 70 -4,-2.0 3,-0.8 -5,-0.2 -2,-0.2 0.952 112.0 46.6 -65.3 -49.6 20.3 0.1 26.0 157 166 A L H 3<5S+ 0 0 11 -4,-2.3 53,-2.9 1,-0.2 -2,-0.2 0.858 117.0 44.3 -60.3 -36.8 17.5 2.6 25.8 158 167 A A H 3<5S- 0 0 2 -4,-2.6 53,-0.4 51,-0.2 -1,-0.2 0.530 108.5-124.3 -86.5 -8.2 20.0 5.5 25.6 159 168 A G T <<5 + 0 0 33 -4,-0.8 -3,-0.2 -3,-0.8 -4,-0.1 0.885 61.1 143.4 66.3 38.8 22.1 3.7 23.0 160 169 A L < - 0 0 11 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.884 56.0-101.1-113.7 144.9 25.3 4.0 25.2 161 170 A P > - 0 0 59 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.351 19.8-136.4 -63.2 135.2 28.1 1.5 25.6 162 171 A E G > S+ 0 0 104 1,-0.3 3,-1.7 2,-0.2 -7,-0.0 0.774 102.5 70.2 -63.9 -23.7 28.1 -0.6 28.7 163 172 A E G 3 S+ 0 0 162 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.665 91.1 61.7 -67.3 -13.9 31.8 -0.0 29.1 164 173 A D G <> S+ 0 0 40 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.536 78.4 92.3 -87.6 -7.8 30.9 3.6 29.9 165 174 A I H <> S+ 0 0 28 -3,-1.7 4,-3.3 -4,-0.2 5,-0.4 0.909 78.2 55.0 -55.8 -49.4 29.0 2.6 33.0 166 175 A P H > S+ 0 0 94 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.921 113.6 42.2 -52.6 -45.6 31.8 2.9 35.5 167 176 A H H > S+ 0 0 99 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.951 118.0 44.3 -65.7 -50.7 32.6 6.5 34.5 168 177 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.881 112.7 51.8 -63.1 -39.8 28.9 7.6 34.2 169 178 A K H X S+ 0 0 18 -4,-3.3 4,-2.3 -5,-0.2 -1,-0.2 0.888 108.8 51.7 -65.6 -38.6 27.9 5.9 37.5 170 179 A Y H X S+ 0 0 89 -4,-1.8 4,-1.2 -5,-0.4 -2,-0.2 0.948 112.2 45.3 -61.9 -49.0 30.8 7.7 39.3 171 180 A L H >X S+ 0 0 2 -4,-2.2 4,-0.8 1,-0.2 3,-0.5 0.918 111.7 51.5 -60.9 -46.2 29.7 11.1 38.0 172 181 A T H >X S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 4,-0.7 0.921 107.8 53.4 -57.8 -44.4 26.1 10.5 38.8 173 182 A D H 3X S+ 0 0 28 -4,-2.3 4,-2.9 1,-0.3 3,-0.4 0.774 100.5 60.7 -63.6 -26.8 27.0 9.5 42.3 174 183 A Q H << S+ 0 0 8 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.722 103.2 52.1 -74.0 -17.8 28.9 12.7 42.9 175 184 A M H << S+ 0 0 4 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.649 123.9 25.5 -89.6 -15.7 25.7 14.7 42.2 176 185 A T H < S+ 0 0 2 -4,-0.7 210,-2.3 -3,-0.4 211,-0.4 0.717 140.7 13.3-115.4 -36.5 23.7 12.7 44.8 177 186 A R S < S- 0 0 27 -4,-2.9 -2,-0.2 208,-0.2 208,-0.1 -0.498 81.4-160.4-141.7 65.9 26.2 11.4 47.4 178 187 A P - 0 0 57 0, 0.0 -4,-0.1 0, 0.0 -3,-0.0 -0.174 15.6-154.3 -54.3 135.0 29.5 13.2 46.8 179 188 A D - 0 0 94 3,-0.0 -5,-0.1 0, 0.0 -6,-0.0 0.504 50.6-105.1 -86.3 -5.6 32.7 11.6 48.1 180 189 A G S S+ 0 0 68 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.227 100.4 99.1 102.9 -13.6 34.3 15.1 48.3 181 190 A S S S+ 0 0 75 1,-0.1 2,-0.4 2,-0.0 -7,-0.0 0.716 87.9 35.5 -78.7 -20.8 36.6 14.8 45.3 182 191 A M S S- 0 0 45 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.1 -0.993 73.4-135.2-135.7 142.0 34.2 16.7 43.0 183 192 A T > - 0 0 75 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.439 37.9-106.4 -82.8 166.5 31.8 19.6 43.5 184 193 A F H > S+ 0 0 17 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.938 122.5 54.5 -58.7 -44.9 28.3 19.2 41.9 185 194 A A H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.875 108.0 48.2 -56.5 -41.8 29.4 21.7 39.3 186 195 A E H > S+ 0 0 101 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.896 112.9 47.5 -68.6 -39.2 32.5 19.7 38.3 187 196 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.913 112.4 50.4 -67.5 -41.2 30.5 16.5 38.1 188 197 A K H X S+ 0 0 19 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.934 110.3 49.0 -61.8 -46.8 27.8 18.2 36.0 189 198 A E H X S+ 0 0 103 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.867 110.2 51.7 -62.7 -34.7 30.4 19.6 33.6 190 199 A A H X S+ 0 0 24 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.883 109.8 49.4 -69.1 -36.9 32.0 16.2 33.3 191 200 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.912 113.0 46.8 -67.6 -40.6 28.6 14.6 32.4 192 201 A Y H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.861 105.6 59.4 -68.6 -33.4 28.0 17.4 29.9 193 202 A D H < S+ 0 0 125 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.890 110.2 44.4 -59.8 -37.7 31.5 16.9 28.5 194 203 A Y H X S+ 0 0 37 -4,-1.5 4,-0.7 1,-0.1 -2,-0.2 0.931 118.7 42.1 -70.2 -47.7 30.4 13.3 27.8 195 204 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.841 97.0 70.6 -72.6 -39.7 27.0 14.2 26.3 196 205 A I H X S+ 0 0 88 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.892 101.3 44.4 -49.7 -50.9 27.7 17.2 24.1 197 206 A P H > S+ 0 0 80 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.892 115.3 49.8 -62.9 -36.9 29.6 15.3 21.3 198 207 A I H X S+ 0 0 27 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.894 109.6 50.0 -67.7 -42.1 27.0 12.5 21.4 199 208 A I H X S+ 0 0 4 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.898 112.4 47.6 -64.8 -40.1 24.1 14.8 21.1 200 209 A E H >X S+ 0 0 81 -4,-2.1 4,-1.5 -5,-0.3 3,-0.6 0.923 111.0 51.3 -66.8 -43.0 25.6 16.6 18.2 201 210 A Q H 3X S+ 0 0 107 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.907 112.8 45.9 -60.2 -41.6 26.5 13.4 16.5 202 211 A R H 3< S+ 0 0 39 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.590 108.2 55.0 -81.0 -9.4 22.9 12.2 16.9 203 212 A R H << S+ 0 0 78 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.724 111.9 46.4 -88.5 -25.5 21.4 15.5 15.7 204 213 A Q H < S+ 0 0 141 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.895 133.2 15.8 -78.8 -44.8 23.5 15.0 12.6 205 214 A K S < S- 0 0 131 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.756 88.6-146.9-134.7 85.9 22.5 11.4 12.1 206 215 A P - 0 0 82 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.163 15.9-173.1 -54.8 138.5 19.4 10.5 14.2 207 216 A G - 0 0 38 -5,-0.2 -48,-0.0 2,-0.2 -5,-0.0 -0.361 37.4-105.6-114.7-162.9 19.0 7.1 15.7 208 217 A T S S+ 0 0 135 -2,-0.2 -49,-0.1 4,-0.1 2,-0.0 0.353 81.8 110.7-110.3 2.8 16.1 5.5 17.5 209 218 A D S > S- 0 0 25 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