==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-SEP-07 2Z97 . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR T.HAYASHI,K.HARADA,K.SAKURAI,S.HIROTA,H.SHIMADA . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17109.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 66.9 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 . 33 8.1 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 . 17 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.8 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 1 1 3 0 0 2 0 3 1 0 1 0 1 0 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 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 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 0 194 0, 0.0 49,-0.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-166.5 -1.0 12.5 9.8 2 11 A L - 0 0 69 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.888 360.0-129.5-112.4 129.5 -4.1 14.3 8.6 3 12 A A - 0 0 28 45,-3.0 49,-0.0 -2,-0.5 46,-0.0 -0.548 41.1 -89.4 -77.8 146.2 -4.9 14.4 4.9 4 13 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.311 49.5-101.6 -59.2 138.4 -5.7 17.9 3.5 5 14 A L - 0 0 46 1,-0.1 6,-0.1 -3,-0.1 43,-0.0 -0.410 36.6-122.9 -62.7 121.1 -9.4 18.7 3.8 6 15 A P > - 0 0 34 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.381 21.7-116.6 -64.9 148.1 -11.1 18.2 0.4 7 16 A P T 3 S+ 0 0 141 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.786 110.9 58.7 -58.9 -26.9 -12.8 21.4 -0.9 8 17 A H T 3 S+ 0 0 49 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.597 89.1 84.4 -79.5 -9.8 -16.3 19.8 -0.8 9 18 A V S < S- 0 0 5 -3,-2.0 2,-0.1 292,-0.1 5,-0.0 -0.839 76.1-137.2 -97.0 120.4 -16.1 19.0 2.9 10 19 A P > - 0 0 51 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.457 16.6-121.5 -79.4 150.3 -17.1 21.9 5.3 11 20 A E G > S+ 0 0 138 1,-0.3 3,-1.8 2,-0.2 35,-0.1 0.787 106.2 66.0 -60.3 -33.1 -15.0 22.6 8.4 12 21 A H G 3 S+ 0 0 137 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.631 99.1 54.2 -68.3 -13.4 -17.9 22.1 10.9 13 22 A L G < S+ 0 0 11 -3,-1.8 33,-3.0 32,-0.1 2,-0.5 0.420 81.3 113.4 -96.9 -0.7 -18.1 18.4 9.9 14 23 A V B < +a 46 0A 24 -3,-1.8 2,-0.4 -4,-0.2 33,-0.2 -0.638 29.1 160.0 -82.7 121.1 -14.5 17.6 10.6 15 24 A F - 0 0 68 31,-2.8 2,-2.4 -2,-0.5 30,-0.1 -0.917 33.6-143.1-139.5 105.3 -13.9 15.2 13.5 16 25 A D + 0 0 65 -2,-0.4 2,-0.3 31,-0.2 31,-0.1 -0.356 34.2 165.1 -81.3 68.0 -10.4 13.7 13.3 17 26 A F - 0 0 14 -2,-2.4 2,-0.7 32,-0.1 32,-0.3 -0.652 27.2-148.4 -84.6 132.8 -11.2 10.1 14.5 18 27 A D > - 0 0 47 -2,-0.3 3,-1.4 3,-0.2 -2,-0.0 -0.875 5.3-164.3-106.2 105.8 -8.5 7.4 13.9 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.692 90.5 49.6 -62.9 -18.1 -10.1 4.0 13.5 20 29 A Y T 3 S+ 0 0 47 1,-0.2 364,-0.4 365,-0.0 -1,-0.3 0.559 131.4 12.6 -95.6 -10.0 -6.8 2.2 14.0 21 30 A N S < S- 0 0 103 -3,-1.4 -1,-0.2 362,-0.1 -3,-0.2 -0.356 77.3-164.5-164.2 67.3 -5.8 4.1 17.2 22 31 A P > - 0 0 1 0, 0.0 3,-1.8 0, 0.0 11,-0.1 -0.355 26.5-124.7 -68.0 137.5 -8.8 6.0 18.6 23 32 A S T 3 S+ 0 0 122 1,-0.3 3,-0.4 2,-0.1 9,-0.0 0.825 108.1 47.7 -52.9 -35.7 -7.6 8.6 21.2 24 33 A N T > S+ 0 0 61 1,-0.2 3,-2.0 8,-0.2 -1,-0.3 0.097 72.6 124.7 -97.1 20.1 -9.9 7.3 24.0 25 34 A L G X + 0 0 21 -3,-1.8 3,-2.1 1,-0.3 357,-0.3 0.770 60.4 69.6 -50.6 -35.3 -8.9 3.6 23.5 26 35 A S G 3 S+ 0 0 106 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.718 92.6 59.8 -64.8 -19.3 -7.8 3.1 27.1 27 36 A A G < S- 0 0 50 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.515 131.7 -72.7 -80.2 -7.2 -11.5 3.4 28.2 28 37 A G <> - 0 0 9 -3,-2.1 4,-2.2 -4,-0.2 -1,-0.3 -0.171 43.1-101.2 116.5 141.9 -12.4 0.4 26.1 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.918 121.9 49.1 -68.2 -41.4 -12.7 0.2 22.3 30 39 A Q H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.945 113.0 49.5 -60.7 -45.3 -16.5 0.5 22.1 31 40 A E H > S+ 0 0 59 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.860 107.3 55.8 -55.4 -40.1 -16.3 3.5 24.5 32 41 A A H >< S+ 0 0 1 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.916 110.3 43.4 -63.3 -44.1 -13.6 5.0 22.3 33 42 A W H >< S+ 0 0 2 -4,-2.2 3,-2.2 1,-0.2 -1,-0.2 0.849 102.6 68.3 -69.3 -31.9 -15.8 4.9 19.2 34 43 A A H >< S+ 0 0 20 -4,-2.0 3,-2.3 1,-0.3 -1,-0.2 0.626 75.7 83.4 -67.6 -11.7 -18.8 6.2 21.2 35 44 A V G X< S+ 0 0 30 -3,-0.9 3,-1.4 -4,-0.5 -1,-0.3 0.793 81.3 67.5 -56.3 -26.6 -17.0 9.5 21.5 36 45 A L G < S+ 0 0 6 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.512 95.3 54.7 -72.2 -4.1 -18.6 10.0 18.0 37 46 A Q G < S+ 0 0 17 -3,-2.3 -1,-0.2 -4,-0.1 -2,-0.2 0.136 77.6 129.4-114.4 16.2 -22.0 10.1 19.7 38 47 A E S X S- 0 0 120 -3,-1.4 3,-1.0 1,-0.1 -3,-0.0 -0.337 77.3 -86.2 -70.1 157.9 -21.3 12.9 22.2 39 48 A S T 3 S+ 0 0 126 1,-0.3 -1,-0.1 -2,-0.0 -3,-0.0 0.722 120.9 35.3 -40.9 -54.1 -23.9 15.7 22.3 40 49 A N T 3 S+ 0 0 154 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.783 86.7 114.6 -77.3 -26.9 -22.7 18.1 19.5 41 50 A V < - 0 0 15 -3,-1.0 4,-0.1 -6,-0.2 -28,-0.1 -0.187 64.1-129.5 -53.6 120.9 -21.4 15.5 17.0 42 51 A P - 0 0 38 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.186 23.3-106.7 -65.5 165.9 -23.4 15.4 13.8 43 52 A D S S+ 0 0 40 1,-0.2 14,-2.9 256,-0.1 15,-0.5 0.670 109.1 36.0 -65.5 -24.1 -24.8 12.2 12.3 44 53 A L E S+ B 0 56A 3 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.983 75.2 177.0-138.7 120.0 -22.1 12.2 9.6 45 54 A V E - B 0 55A 0 10,-2.2 10,-2.3 -2,-0.4 2,-0.5 -0.874 24.4-131.1-123.5 156.5 -18.6 13.4 10.1 46 55 A W E -aB 14 54A 8 -33,-3.0 -31,-2.8 -2,-0.3 2,-0.4 -0.945 18.0-163.6-103.9 126.3 -15.3 13.7 8.1 47 56 A T E - B 0 53A 0 6,-2.9 6,-2.3 -2,-0.5 -31,-0.2 -0.902 14.6-156.0-101.9 139.2 -12.1 12.5 9.5 48 57 A R > + 0 0 66 -2,-0.4 -45,-3.0 4,-0.2 3,-0.6 0.499 66.6 104.1 -86.9 -4.1 -8.8 13.6 8.0 49 58 A C G > S+ 0 0 10 -32,-0.3 3,-2.2 -47,-0.2 -47,-0.1 -0.375 77.4 18.8 -70.9 156.2 -7.1 10.4 9.4 50 59 A N G 3 S- 0 0 43 -49,-0.5 31,-0.4 1,-0.3 -1,-0.2 0.822 141.5 -46.7 55.7 36.6 -6.2 7.4 7.3 51 60 A G G < S- 0 0 59 -3,-0.6 -1,-0.3 -50,-0.3 -2,-0.1 0.213 105.1 -68.9 94.8 -13.6 -6.4 9.3 4.0 52 61 A G < + 0 0 6 -3,-2.2 256,-0.4 1,-0.1 2,-0.3 0.455 67.2 155.6 99.9 121.6 -9.7 11.1 4.7 53 62 A H E -B 47 0A 0 -6,-2.3 -6,-2.9 254,-0.1 256,-0.2 -0.986 37.9 -98.4-168.1 162.0 -13.2 9.6 4.9 54 63 A W E -Bc 46 309A 0 254,-3.0 256,-2.8 -2,-0.3 2,-0.4 -0.509 25.6-158.4 -82.7 158.0 -16.7 9.9 6.2 55 64 A I E -Bc 45 310A 0 -10,-2.3 -10,-2.2 254,-0.2 2,-0.5 -0.975 9.7-146.0-135.2 121.6 -18.0 8.1 9.3 56 65 A A E -B 44 0A 0 254,-2.6 -12,-0.2 -2,-0.4 259,-0.1 -0.782 15.7-171.6 -81.4 131.7 -21.8 7.6 9.8 57 66 A T + 0 0 0 -14,-2.9 2,-0.3 -2,-0.5 -13,-0.1 0.357 54.8 61.1-112.7 2.2 -22.4 7.8 13.6 58 67 A R S > S- 0 0 8 -15,-0.5 4,-2.2 1,-0.1 3,-0.3 -0.967 77.5-120.9-134.2 150.3 -26.0 6.6 14.1 59 68 A G H > S+ 0 0 0 256,-0.5 4,-3.1 -2,-0.3 5,-0.3 0.862 108.9 58.6 -52.7 -43.4 -28.0 3.5 13.4 60 69 A Q H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.917 112.1 38.3 -58.7 -47.0 -30.5 5.2 11.1 61 70 A L H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.872 115.2 54.1 -71.5 -40.1 -27.8 6.4 8.6 62 71 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.943 111.4 44.7 -58.7 -50.0 -25.8 3.2 8.9 63 72 A R H X S+ 0 0 44 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.913 112.4 52.2 -62.2 -41.3 -28.8 1.1 8.0 64 73 A E H X S+ 0 0 72 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.910 109.8 48.4 -61.8 -44.6 -29.8 3.4 5.1 65 74 A A H < S+ 0 0 0 -4,-2.4 7,-0.2 1,-0.2 -1,-0.2 0.917 110.6 51.1 -61.5 -45.2 -26.3 3.3 3.6 66 75 A Y H < S+ 0 0 5 -4,-2.3 279,-0.5 1,-0.2 -1,-0.2 0.824 111.9 48.0 -62.0 -32.8 -26.2 -0.5 3.8 67 76 A E H < S+ 0 0 113 -4,-1.8 2,-1.5 1,-0.2 -1,-0.2 0.865 101.2 67.9 -74.2 -36.0 -29.6 -0.7 2.1 68 77 A D X + 0 0 42 -4,-2.0 4,-2.5 1,-0.2 3,-0.4 -0.550 53.0 159.5 -90.8 75.8 -28.6 1.7 -0.7 69 78 A Y T 4 + 0 0 79 -2,-1.5 -1,-0.2 1,-0.2 5,-0.1 0.613 67.7 69.0 -73.8 -10.4 -26.0 -0.3 -2.7 70 79 A R T 4 S+ 0 0 198 -3,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.944 115.5 22.8 -71.2 -42.5 -26.6 1.9 -5.7 71 80 A H T 4 S+ 0 0 52 -3,-0.4 222,-2.1 1,-0.2 2,-0.7 0.792 127.7 50.0 -86.9 -34.7 -25.0 4.9 -4.1 72 81 A F E < S-D 292 0A 0 -4,-2.5 2,-0.2 -7,-0.2 -1,-0.2 -0.869 79.6-164.7-115.7 101.4 -22.9 3.1 -1.5 73 82 A S E > -D 291 0A 7 218,-2.9 218,-2.1 -2,-0.7 3,-0.6 -0.572 25.8-147.9 -94.6 144.9 -20.9 0.4 -3.1 74 83 A S T 3 S+ 0 0 1 -2,-0.2 -1,-0.1 1,-0.2 4,-0.1 0.423 78.2 98.7 -81.7 2.0 -19.0 -2.6 -1.6 75 84 A E T 3 S+ 0 0 127 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.852 98.9 20.3 -62.1 -32.3 -16.4 -2.5 -4.3 76 85 A C S < S+ 0 0 5 -3,-0.6 -1,-0.3 1,-0.1 9,-0.2 -0.742 79.8 153.1-135.2 77.9 -14.0 -0.5 -2.0 77 86 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.701 43.3 73.8 -90.3 -18.0 -15.2 -1.2 1.5 78 87 A F S S- 0 0 24 3,-0.1 6,-0.8 2,-0.1 7,-0.1 -0.724 75.2-103.6-105.3 148.1 -12.2 -0.8 3.8 79 88 A I S S+ 0 0 2 -2,-0.3 2,-0.2 4,-0.1 -28,-0.1 -0.885 94.2 53.2 -98.8 139.6 -10.2 2.2 5.0 80 89 A P S >> S- 0 0 29 0, 0.0 4,-1.9 0, 0.0 3,-1.2 0.554 89.1-125.6 -75.4 165.6 -7.4 3.2 4.1 81 90 A R H 3> S+ 0 0 82 -31,-0.4 4,-3.0 1,-0.3 5,-0.2 0.823 107.5 59.0 -47.3 -41.0 -8.2 3.4 0.4 82 91 A E H 3> S+ 0 0 128 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.844 108.5 47.8 -61.3 -35.1 -5.3 1.2 -0.7 83 92 A A H <> S+ 0 0 5 -3,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.934 111.8 48.0 -70.2 -49.5 -6.8 -1.6 1.5 84 93 A G H < S+ 0 0 0 -4,-1.9 -2,-0.2 -6,-0.8 -1,-0.2 0.878 112.4 50.1 -55.0 -41.6 -10.3 -1.1 0.1 85 94 A E H < S+ 0 0 130 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.919 112.7 45.7 -67.4 -40.5 -8.9 -1.1 -3.5 86 95 A A H < S+ 0 0 21 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.2 0.738 90.4 101.3 -68.9 -25.8 -6.9 -4.3 -2.9 87 96 A Y < + 0 0 12 -4,-1.6 -9,-0.1 1,-0.1 98,-0.0 -0.486 34.0 152.1 -72.5 120.2 -9.9 -6.0 -1.2 88 97 A D + 0 0 37 -2,-0.4 -1,-0.1 -12,-0.1 143,-0.1 0.094 15.9 147.3-137.1 25.7 -11.5 -8.4 -3.6 89 98 A F > - 0 0 2 145,-0.1 4,-2.5 143,-0.1 143,-0.2 -0.226 48.9 -94.6 -62.7 152.0 -13.1 -11.1 -1.4 90 99 A I T 4 S+ 0 0 1 141,-1.4 145,-0.2 1,-0.2 -1,-0.1 -0.977 97.2 1.7-118.0 134.3 -16.3 -12.7 -2.5 91 100 A P T >4 S+ 0 0 9 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.996 125.0 63.3 -91.7 0.4 -19.1 -12.0 -1.8 92 101 A T T 34 S+ 0 0 39 1,-0.3 -2,-0.2 140,-0.1 7,-0.1 0.776 101.4 50.3 -58.5 -34.6 -18.1 -9.1 0.3 93 102 A S T 3< S+ 0 0 10 -4,-2.5 2,-0.3 -18,-0.1 -1,-0.3 0.340 101.2 82.1 -87.7 7.9 -16.5 -6.9 -2.4 94 103 A M < - 0 0 11 -3,-1.9 -6,-0.0 -5,-0.1 -5,-0.0 -0.831 65.0-145.8-113.5 151.8 -19.5 -7.2 -4.7 95 104 A D > - 0 0 34 -2,-0.3 4,-1.7 1,-0.1 3,-0.4 -0.765 42.2 -62.2-100.4 157.8 -22.8 -5.5 -5.0 96 105 A P T 4 S+ 0 0 7 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.405 112.6 41.6 -59.6 152.6 -26.1 -7.0 -6.0 97 106 A P T >> S+ 0 0 116 0, 0.0 3,-0.9 0, 0.0 4,-0.5 -0.949 127.7 34.1 -76.3 -25.7 -27.0 -8.2 -8.5 98 107 A E T 34 S+ 0 0 106 -3,-0.4 4,-0.4 1,-0.2 3,-0.3 0.767 111.7 63.0 -63.6 -29.6 -23.7 -10.1 -9.0 99 108 A Q T >X S+ 0 0 0 -4,-1.7 3,-1.5 1,-0.2 4,-0.7 0.849 90.0 67.6 -56.4 -41.8 -23.1 -10.7 -5.3 100 109 A R H X> S+ 0 0 128 -3,-0.9 3,-1.2 1,-0.3 4,-0.8 0.855 87.9 61.5 -61.6 -38.6 -26.2 -12.8 -4.6 101 110 A Q H 3< S+ 0 0 46 -4,-0.5 4,-0.5 -3,-0.3 119,-0.5 0.740 102.1 54.7 -61.6 -22.8 -25.3 -15.9 -6.6 102 111 A F H <> S+ 0 0 0 -3,-1.5 4,-1.9 -4,-0.4 -1,-0.3 0.715 91.3 72.7 -85.7 -23.1 -22.2 -16.5 -4.4 103 112 A R H S+ 0 0 5 -4,-0.5 4,-0.7 2,-0.2 3,-0.4 0.941 112.3 47.3 -66.9 -46.5 -22.3 -21.5 -2.1 106 115 A A H >X S+ 0 0 6 -4,-1.9 4,-2.0 1,-0.2 3,-1.5 0.920 108.6 57.5 -60.9 -38.6 -20.9 -19.9 1.0 107 116 A N H 3X S+ 0 0 62 -4,-3.0 4,-2.0 1,-0.3 7,-0.4 0.845 98.4 61.1 -58.8 -31.4 -24.0 -21.0 2.8 108 117 A Q H 3< S+ 0 0 128 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.739 112.6 36.4 -66.2 -24.3 -23.3 -24.6 1.9 109 118 A V H << S+ 0 0 5 -3,-1.5 -2,-0.2 -4,-0.7 -1,-0.2 0.702 135.1 15.6-107.0 -20.4 -20.0 -24.4 3.8 110 119 A V H < S+ 0 0 11 -4,-2.0 243,-0.5 100,-0.1 -3,-0.2 0.445 99.2 104.4-131.3 0.1 -20.8 -22.3 6.9 111 120 A G S >X S- 0 0 0 -4,-2.0 4,-2.0 -5,-0.4 3,-0.9 0.058 89.6 -72.8 -75.8-176.7 -24.6 -22.2 7.1 112 121 A M H 3> S+ 0 0 75 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.848 126.9 56.5 -49.9 -47.4 -27.1 -24.0 9.4 113 122 A P H 3> S+ 0 0 87 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.888 110.6 46.2 -55.1 -37.8 -26.7 -27.4 7.8 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><5S+ 0 0 82 -4,-2.1 3,-0.9 2,-0.2 -2,-0.2 0.941 112.2 46.4 -58.7 -53.2 -11.5 -28.8 10.9 157 166 A L H 3<5S+ 0 0 14 -4,-2.5 53,-2.7 1,-0.3 -2,-0.2 0.854 118.6 42.4 -59.4 -37.3 -14.3 -27.5 8.7 158 167 A A H 3<5S- 0 0 0 -4,-2.5 53,-0.4 51,-0.2 -1,-0.3 0.466 107.0-126.5 -89.9 -5.3 -11.8 -26.3 6.1 159 168 A G T <<5 + 0 0 32 -3,-0.9 -3,-0.2 -4,-0.7 -4,-0.1 0.863 59.4 144.7 58.1 40.7 -9.6 -29.4 6.4 160 169 A L < - 0 0 10 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.2 -0.819 55.9-100.5-107.1 146.7 -6.5 -27.3 7.1 161 170 A P > - 0 0 57 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.468 19.3-134.7 -69.2 137.3 -3.7 -28.5 9.4 162 171 A E G > S+ 0 0 96 1,-0.3 3,-1.8 2,-0.2 -7,-0.0 0.790 103.3 69.1 -60.5 -28.6 -3.7 -27.0 12.9 163 172 A E G 3 S+ 0 0 164 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.691 91.6 62.4 -63.3 -15.9 0.1 -26.5 12.6 164 173 A D G <> S+ 0 0 41 -3,-1.9 4,-2.4 1,-0.2 5,-0.3 0.548 78.1 93.6 -83.1 -7.9 -0.7 -23.8 10.0 165 174 A I H <> S+ 0 0 34 -3,-1.8 4,-3.7 1,-0.2 5,-0.4 0.905 78.4 52.5 -55.7 -50.0 -2.7 -21.6 12.6 166 175 A P H > S+ 0 0 94 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.914 114.3 43.4 -57.6 -41.8 0.1 -19.3 13.7 167 176 A H H > S+ 0 0 100 -4,-0.3 4,-2.3 -3,-0.2 -2,-0.2 0.945 118.4 43.2 -66.5 -48.7 1.0 -18.3 10.1 168 177 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.908 113.7 51.4 -67.4 -40.2 -2.6 -17.9 9.0 169 178 A K H X S+ 0 0 19 -4,-3.7 4,-2.3 -5,-0.3 -1,-0.2 0.924 109.3 51.2 -61.8 -44.1 -3.6 -16.1 12.2 170 179 A Y H X S+ 0 0 90 -4,-2.2 4,-1.3 -5,-0.4 -2,-0.2 0.950 112.6 45.3 -55.6 -51.0 -0.7 -13.6 11.7 171 180 A L H X S+ 0 0 5 -4,-2.3 4,-0.9 2,-0.2 3,-0.4 0.916 111.2 52.0 -60.5 -46.3 -1.7 -12.9 8.1 172 181 A T H >X S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 4,-1.0 0.928 108.2 52.6 -57.5 -44.6 -5.4 -12.5 8.9 173 182 A D H 3X S+ 0 0 27 -4,-2.3 4,-2.7 1,-0.3 -1,-0.2 0.761 100.3 62.0 -66.1 -25.0 -4.5 -10.0 11.7 174 183 A Q H 3< S+ 0 0 8 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.760 103.2 51.0 -70.6 -21.3 -2.5 -7.9 9.2 175 184 A M H << S+ 0 0 5 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.787 123.6 26.9 -81.3 -27.4 -5.6 -7.3 7.2 176 185 A T H < S+ 0 0 5 -4,-1.0 210,-2.2 1,-0.1 211,-0.4 0.808 139.8 13.7-105.3 -38.3 -7.7 -6.1 10.2 177 186 A R S < S- 0 0 24 -4,-2.7 -1,-0.1 208,-0.2 -2,-0.1 -0.575 83.2-159.5-138.1 66.4 -5.2 -4.7 12.8 178 187 A P - 0 0 56 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.217 17.0-153.9 -59.3 136.8 -1.9 -4.3 10.8 179 188 A D - 0 0 101 3,-0.1 -5,-0.1 0, 0.0 -6,-0.0 0.526 50.8-106.5 -80.9 -7.9 1.3 -4.0 12.9 180 189 A G S S+ 0 0 68 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.252 99.8 101.8 101.3 -9.5 2.8 -2.0 9.9 181 190 A S S S+ 0 0 73 1,-0.2 2,-0.4 2,-0.0 -7,-0.0 0.734 87.4 31.5 -78.4 -22.5 5.1 -4.8 8.6 182 191 A M S S- 0 0 45 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.2 -0.999 76.5-130.2-137.4 140.3 2.7 -5.7 5.8 183 192 A T > - 0 0 76 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.342 37.0-105.7 -76.8 164.6 0.3 -3.7 3.7 184 193 A F H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.934 123.2 52.6 -57.8 -44.9 -3.3 -5.0 3.3 185 194 A A H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 109.4 48.5 -58.2 -43.3 -2.4 -6.0 -0.2 186 195 A E H > S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 112.5 47.4 -63.5 -42.2 0.7 -8.0 0.9 187 196 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.905 113.6 48.3 -66.9 -42.2 -1.2 -9.8 3.7 188 197 A K H X S+ 0 0 13 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.932 110.8 50.3 -65.7 -43.9 -4.0 -10.7 1.3 189 198 A E H X S+ 0 0 97 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.855 108.5 53.6 -62.7 -35.0 -1.6 -11.9 -1.4 190 199 A A H X S+ 0 0 22 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.876 108.6 48.6 -64.2 -40.2 0.1 -14.1 1.2 191 200 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.922 112.6 48.6 -66.3 -40.6 -3.2 -15.6 2.2 192 201 A Y H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.880 106.3 57.2 -60.9 -39.2 -3.8 -16.2 -1.6 193 202 A D H < S+ 0 0 125 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.843 109.1 47.1 -62.7 -34.5 -0.3 -17.7 -1.8 194 203 A Y H X S+ 0 0 33 -4,-1.5 4,-0.7 1,-0.1 -1,-0.2 0.932 117.6 40.4 -69.8 -47.5 -1.4 -20.2 0.8 195 204 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.817 95.1 78.1 -75.1 -35.7 -4.7 -21.1 -0.8 196 205 A I H X S+ 0 0 90 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.897 100.8 38.3 -47.6 -55.5 -3.8 -21.3 -4.5 197 206 A P H > S+ 0 0 73 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.852 115.7 53.0 -65.6 -34.1 -2.2 -24.7 -4.4 198 207 A I H X S+ 0 0 25 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.901 109.7 48.8 -66.7 -42.4 -4.7 -26.2 -1.9 199 208 A I H X S+ 0 0 5 -4,-2.9 4,-1.5 2,-0.2 5,-0.2 0.940 112.2 48.4 -59.7 -48.9 -7.6 -25.1 -4.2 200 209 A E H X S+ 0 0 83 -4,-2.2 4,-1.6 -5,-0.3 3,-0.4 0.925 112.0 50.0 -59.1 -44.2 -5.9 -26.6 -7.3 201 210 A Q H X S+ 0 0 130 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.897 111.8 47.4 -58.7 -43.5 -5.3 -29.9 -5.4 202 211 A R H < S+ 0 0 41 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.639 107.4 55.2 -81.1 -15.0 -8.9 -30.1 -4.2 203 212 A R H < S+ 0 0 77 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.772 113.5 43.6 -77.1 -32.1 -10.3 -29.4 -7.6 204 213 A Q H < S+ 0 0 147 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.896 134.8 16.7 -74.9 -43.9 -8.2 -32.3 -8.8 205 214 A K S < S- 0 0 170 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.1 -0.738 87.5-153.1-133.3 81.1 -9.1 -34.6 -5.9 206 215 A P - 0 0 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N T 3< S+ 0 0 71 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.190 98.8 122.1-105.5 12.8 -15.8 -27.5 -7.0 217 226 A G < - 0 0 9 -3,-1.7 7,-2.5 -5,-0.1 2,-0.4 -0.177 56.7-129.2 -82.3 166.5 -18.9 -25.4 -6.5 218 227 A Q E -H 223 0C 132 5,-0.2 2,-0.5 -116,-0.0 -1,-0.1 -0.885 8.6-152.7-112.0 147.4 -21.4 -24.0 -8.9 219 228 A V E > S-H 222 0C 0 3,-3.2 3,-1.4 -2,-0.4 -117,-0.1 -0.956 81.7 -27.0-122.4 110.1 -22.6 -20.4 -9.0 220 229 A N T 3 S- 0 0 127 -2,-0.5 -1,-0.1 -119,-0.5 -118,-0.1 0.910 129.8 -45.7 42.2 49.3 -26.1 -20.1 -10.4 221 230 A G T 3 S+ 0 0 62 1,-0.2 -1,-0.2 0, 0.0 -3,-0.0 0.478 120.8 96.4 80.8 6.5 -25.6 -23.3 -12.4 222 231 A R E < S-H 219 0C 83 -3,-1.4 -3,-3.2 1,-0.0 -1,-0.2 -0.920 81.9 -91.6-124.1 152.5 -22.1 -22.6 -13.8 223 232 A P E -H 218 0C 98 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 -0.346 38.3-119.3 -64.4 139.3 -18.7 -23.7 -12.5 224 233 A I - 0 0 3 -7,-2.5 2,-0.1 -10,-0.2 -6,-0.0 -0.454 31.5-121.1 -67.6 145.1 -16.9 -21.5 -10.1 225 234 A T > - 0 0 64 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.486 18.5-113.7 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