==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-DEC-05 2FER . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR K.VON KOENIG,T.M.MAKRIS,S.G.SLIGAR,I.SCHLICHTING . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16948.0 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 . 17 4.2 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 . 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 1 0 4 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 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 0 198 0, 0.0 2,-0.6 0, 0.0 49,-0.4 0.000 360.0 360.0 360.0 164.8 30.6 77.1 62.8 2 11 A L - 0 0 75 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.848 360.0-137.2-100.4 120.7 27.7 79.1 61.4 3 12 A A - 0 0 25 45,-2.8 49,-0.0 -2,-0.6 46,-0.0 -0.495 42.4 -88.5 -69.3 140.5 26.9 78.8 57.7 4 13 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.293 48.8-104.1 -55.2 135.7 26.1 82.2 56.1 5 14 A L - 0 0 61 1,-0.1 6,-0.1 -3,-0.1 43,-0.0 -0.467 36.9-120.9 -65.1 118.5 22.3 83.0 56.3 6 15 A P > - 0 0 32 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.286 21.5-113.7 -62.9 145.6 20.6 82.5 53.0 7 16 A P T 3 S+ 0 0 144 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.774 113.0 55.0 -44.1 -35.6 18.9 85.6 51.5 8 17 A H T 3 S+ 0 0 46 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.592 88.2 87.3 -84.7 -9.1 15.4 84.0 51.9 9 18 A V S < S- 0 0 6 -3,-1.9 2,-0.1 292,-0.1 5,-0.1 -0.815 74.7-135.1 -96.3 118.4 15.6 83.3 55.6 10 19 A P > - 0 0 48 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.439 15.3-125.4 -72.8 146.1 14.5 86.1 57.9 11 20 A E G > S+ 0 0 160 1,-0.3 3,-1.5 2,-0.2 35,-0.1 0.784 105.2 66.6 -62.7 -30.9 16.7 86.8 60.9 12 21 A H G 3 S+ 0 0 134 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.610 98.4 55.2 -69.5 -9.8 13.9 86.4 63.4 13 22 A L G < S+ 0 0 13 -3,-1.7 33,-2.8 32,-0.1 2,-0.3 0.456 79.9 113.8 -98.7 -5.2 13.6 82.7 62.5 14 23 A V B < +a 46 0A 36 -3,-1.5 2,-0.3 -4,-0.2 33,-0.2 -0.533 29.0 160.6 -72.7 127.7 17.3 81.9 63.2 15 24 A F - 0 0 62 31,-2.9 2,-2.1 -2,-0.3 30,-0.1 -0.875 33.4-142.6-145.9 108.0 17.9 79.5 66.2 16 25 A D + 0 0 57 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.392 33.3 165.9 -85.5 67.5 21.3 78.0 66.0 17 26 A F - 0 0 9 -2,-2.1 2,-0.8 32,-0.1 32,-0.3 -0.655 26.8-149.3 -81.5 130.0 20.6 74.4 67.2 18 27 A D > - 0 0 47 -2,-0.4 3,-1.6 3,-0.2 -2,-0.0 -0.867 4.4-164.3-102.4 103.5 23.3 71.8 66.6 19 28 A M T 3 S+ 0 0 0 -2,-0.8 -1,-0.1 1,-0.3 14,-0.0 0.695 90.1 50.5 -59.8 -20.5 21.6 68.3 66.2 20 29 A Y T 3 S+ 0 0 46 1,-0.2 364,-0.4 -3,-0.1 -1,-0.3 0.531 131.0 11.4 -93.6 -9.9 25.0 66.6 66.8 21 30 A N S < S- 0 0 108 -3,-1.6 -1,-0.2 362,-0.1 -3,-0.2 -0.343 81.0-165.4-165.4 68.3 26.0 68.5 70.0 22 31 A P > - 0 0 2 0, 0.0 3,-1.7 0, 0.0 11,-0.1 -0.345 27.2-118.7 -69.7 148.2 23.0 70.4 71.4 23 32 A S T 3 S+ 0 0 117 1,-0.3 3,-0.4 9,-0.1 10,-0.1 0.801 109.7 45.9 -52.4 -41.1 23.7 73.1 74.1 24 33 A N T > S+ 0 0 77 8,-0.2 3,-2.3 1,-0.2 4,-0.3 0.172 72.5 126.1 -97.2 22.2 21.6 71.6 76.8 25 34 A L G X + 0 0 32 -3,-1.7 3,-2.0 1,-0.3 357,-0.4 0.766 64.0 64.7 -51.5 -36.5 22.9 68.0 76.4 26 35 A S G 3 S+ 0 0 127 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.729 95.0 60.3 -65.0 -19.8 24.0 67.5 80.0 27 36 A A G < S- 0 0 58 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.567 131.3 -78.3 -79.3 -9.4 20.3 67.9 81.1 28 37 A G <> - 0 0 9 -3,-2.0 4,-2.4 -4,-0.3 -1,-0.3 -0.150 42.0 -95.4 116.2 146.1 19.6 64.8 78.9 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.901 123.0 47.5 -63.6 -43.0 19.2 64.5 75.1 30 39 A Q H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.936 113.9 50.1 -62.4 -44.6 15.4 64.7 75.0 31 40 A E H > S+ 0 0 62 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.889 108.6 53.0 -57.8 -40.2 15.6 67.8 77.3 32 41 A A H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 -8,-0.2 0.915 112.5 43.3 -64.3 -44.8 18.3 69.3 75.1 33 42 A W H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 -1,-0.2 0.853 102.9 67.3 -66.5 -34.8 16.0 69.0 72.0 34 43 A A H >< S+ 0 0 20 -4,-2.5 3,-2.2 1,-0.3 -1,-0.2 0.627 78.0 82.5 -64.2 -11.1 13.0 70.2 74.0 35 44 A V G X< S+ 0 0 14 -3,-0.8 3,-1.5 -4,-0.5 -1,-0.3 0.848 81.1 66.6 -60.1 -27.2 14.7 73.6 74.1 36 45 A L G < S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.559 96.6 54.6 -66.7 -10.6 13.2 74.0 70.7 37 46 A Q G < S+ 0 0 17 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.175 78.0 125.2-110.7 16.0 9.8 74.0 72.3 38 47 A E S X S- 0 0 100 -3,-1.5 3,-2.1 1,-0.1 -3,-0.0 -0.366 76.7-103.5 -70.3 158.7 10.4 76.9 74.7 39 48 A S T 3 S+ 0 0 124 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.723 117.6 54.7 -64.3 -23.9 7.9 79.8 74.6 40 49 A N T 3 S+ 0 0 121 2,-0.1 -1,-0.3 0, 0.0 -4,-0.0 0.570 90.4 95.2 -81.7 -8.9 10.2 82.2 72.8 41 50 A V S < S- 0 0 12 -3,-2.1 -28,-0.1 -6,-0.1 4,-0.1 -0.747 72.9-126.5 -99.0 124.5 10.9 79.7 69.9 42 51 A P - 0 0 44 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.134 25.6-110.7 -59.2 157.9 8.9 79.8 66.6 43 52 A D S S+ 0 0 54 1,-0.2 14,-2.9 13,-0.1 15,-0.5 0.784 109.6 28.9 -57.9 -34.1 7.2 76.7 65.2 44 53 A L E S+ B 0 56A 4 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.986 79.5 176.9-135.2 119.0 9.7 76.5 62.3 45 54 A V E - B 0 55A 0 10,-2.2 10,-2.6 -2,-0.4 2,-0.5 -0.812 24.8-129.4-120.5 162.4 13.2 77.8 62.8 46 55 A W E -aB 14 54A 10 -33,-2.8 -31,-2.9 -2,-0.3 2,-0.5 -0.945 19.0-160.2-109.0 129.8 16.4 78.0 60.7 47 56 A T E - B 0 53A 0 6,-2.9 6,-1.9 -2,-0.5 -31,-0.2 -0.923 14.6-155.7-106.7 140.9 19.7 76.8 62.2 48 57 A R > + 0 0 73 -2,-0.5 -45,-2.8 4,-0.2 3,-0.6 0.541 66.6 102.9 -86.0 -4.2 23.0 77.9 60.7 49 58 A C G > S+ 0 0 17 -32,-0.3 3,-2.2 1,-0.2 -2,-0.1 -0.336 78.2 18.8 -75.4 157.2 24.7 74.8 62.2 50 59 A N G 3 S- 0 0 44 -49,-0.4 31,-0.4 1,-0.3 -1,-0.2 0.817 141.9 -46.6 53.7 40.4 25.6 71.8 60.1 51 60 A G G < S- 0 0 61 -3,-0.6 -1,-0.3 -50,-0.3 -2,-0.2 0.255 104.5 -71.7 88.6 -10.8 25.5 73.7 56.8 52 61 A G < + 0 0 4 -3,-2.2 256,-0.3 1,-0.1 2,-0.3 0.467 65.6 159.8 94.6 125.3 22.2 75.4 57.5 53 62 A H E -B 47 0A 0 -6,-1.9 -6,-2.9 254,-0.1 256,-0.2 -0.975 37.5 -96.9-165.9 160.3 18.7 73.9 57.6 54 63 A W E -Bc 46 309A 0 254,-2.9 256,-3.1 -2,-0.3 2,-0.4 -0.453 27.8-157.2 -76.8 155.1 15.1 74.2 58.8 55 64 A I E -Bc 45 310A 0 -10,-2.6 -10,-2.2 254,-0.2 2,-0.5 -0.966 7.5-150.5-132.5 122.6 13.8 72.6 61.9 56 65 A A E -B 44 0A 0 254,-2.4 -12,-0.2 -2,-0.4 259,-0.1 -0.788 14.7-173.2 -82.2 128.8 10.1 71.9 62.5 57 66 A T + 0 0 0 -14,-2.9 2,-0.3 -2,-0.5 -13,-0.1 0.463 54.4 65.0-109.2 -2.4 9.7 72.0 66.3 58 67 A R S >> S- 0 0 14 -15,-0.5 4,-2.4 1,-0.1 3,-0.5 -0.953 77.7-122.3-127.9 148.6 6.1 70.9 66.8 59 68 A G H 3> S+ 0 0 0 -2,-0.3 4,-2.8 256,-0.3 5,-0.3 0.827 109.5 57.6 -53.2 -39.9 4.1 67.6 66.2 60 69 A Q H 3> S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.944 112.4 39.6 -60.3 -44.3 1.6 69.3 63.8 61 70 A L H <> S+ 0 0 2 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.895 114.9 52.5 -73.6 -42.2 4.3 70.5 61.5 62 71 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.944 113.4 43.5 -58.4 -50.6 6.4 67.4 61.7 63 72 A R H X S+ 0 0 51 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.930 113.1 52.3 -61.8 -46.1 3.4 65.1 60.8 64 73 A E H X S+ 0 0 59 -4,-2.2 4,-1.5 -5,-0.3 -2,-0.2 0.907 111.3 46.8 -58.1 -40.7 2.2 67.5 58.0 65 74 A A H < S+ 0 0 0 -4,-2.4 7,-0.3 1,-0.2 -1,-0.2 0.899 110.6 51.5 -71.2 -39.2 5.6 67.5 56.4 66 75 A Y H < S+ 0 0 6 -4,-2.3 279,-0.5 1,-0.2 -1,-0.2 0.824 111.2 50.0 -65.2 -30.0 6.0 63.6 56.7 67 76 A E H < S+ 0 0 108 -4,-2.0 2,-1.4 1,-0.2 -1,-0.2 0.837 100.4 66.4 -75.1 -33.7 2.6 63.3 55.0 68 77 A D X + 0 0 38 -4,-1.5 4,-2.5 1,-0.2 3,-0.4 -0.604 53.3 159.4 -96.3 78.1 3.4 65.7 52.1 69 78 A Y T 4 + 0 0 57 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.668 68.4 70.8 -72.3 -17.4 6.1 63.8 50.2 70 79 A R T 4 S+ 0 0 179 -3,-0.2 -1,-0.2 1,-0.1 3,-0.2 0.931 115.1 22.9 -63.8 -44.2 5.3 65.8 47.1 71 80 A H T 4 S+ 0 0 52 -3,-0.4 222,-2.3 1,-0.2 2,-0.8 0.839 127.6 48.7 -85.8 -36.9 6.9 68.9 48.8 72 81 A F E < S-D 292 0A 0 -4,-2.5 220,-0.2 -7,-0.3 -1,-0.2 -0.839 80.5-163.0-113.9 95.3 9.2 67.2 51.3 73 82 A S E > -D 291 0A 3 218,-2.9 218,-2.3 -2,-0.8 3,-0.6 -0.517 25.1-145.8 -87.6 145.4 11.2 64.5 49.6 74 83 A S T 3 S+ 0 0 0 1,-0.2 -1,-0.1 216,-0.2 4,-0.1 0.400 77.9 100.4 -80.1 -0.4 13.1 61.5 51.1 75 84 A E T 3 S+ 0 0 141 1,-0.3 -1,-0.2 216,-0.2 215,-0.1 0.825 97.7 21.8 -58.2 -33.9 15.8 61.8 48.4 76 85 A C S < S+ 0 0 6 -3,-0.6 -1,-0.3 1,-0.1 8,-0.2 -0.740 78.1 155.7-135.1 79.3 18.1 63.7 50.8 77 86 A P + 0 0 2 0, 0.0 212,-2.1 0, 0.0 2,-0.4 0.507 46.8 75.6 -93.4 -8.9 16.9 62.8 54.3 78 87 A F S S- 0 0 15 210,-0.2 6,-0.6 3,-0.1 7,-0.1 -0.842 76.5-110.7-105.3 144.0 20.0 63.3 56.5 79 88 A I S S+ 0 0 2 -2,-0.4 2,-0.2 4,-0.1 307,-0.1 -0.920 91.5 56.8 -99.2 137.7 21.7 66.5 57.7 80 89 A P S >> S- 0 0 28 0, 0.0 4,-2.1 0, 0.0 3,-1.1 0.504 88.6-124.2 -79.4 172.2 24.4 67.6 56.8 81 90 A R H 3> S+ 0 0 85 -31,-0.4 4,-2.9 1,-0.3 5,-0.2 0.832 109.1 56.5 -52.0 -42.0 23.8 67.8 53.0 82 91 A E H 3> S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.866 109.9 46.5 -57.9 -38.6 26.8 65.6 52.1 83 92 A A H <> S+ 0 0 7 -3,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.924 113.0 49.0 -65.6 -49.8 25.3 62.8 54.2 84 93 A G H < S+ 0 0 0 -4,-2.1 -2,-0.2 -6,-0.6 -1,-0.2 0.855 112.4 48.6 -61.3 -37.9 21.8 63.3 52.7 85 94 A E H < S+ 0 0 135 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.932 113.7 45.0 -68.4 -42.9 23.3 63.3 49.2 86 95 A A H < S+ 0 0 20 -4,-2.1 2,-0.3 -5,-0.2 -2,-0.2 0.765 90.2 104.1 -67.4 -28.4 25.3 60.1 49.8 87 96 A Y < + 0 0 11 -4,-1.8 -9,-0.1 1,-0.1 98,-0.0 -0.404 32.8 150.3 -63.7 118.2 22.3 58.4 51.5 88 97 A D + 0 0 39 -2,-0.3 -1,-0.1 -12,-0.1 5,-0.1 0.119 15.9 143.8-137.1 24.3 20.8 55.8 49.1 89 98 A F > - 0 0 4 3,-0.1 4,-1.9 145,-0.1 143,-0.2 -0.305 52.0 -91.5 -66.9 154.2 19.3 53.1 51.4 90 99 A I T 4 S+ 0 0 0 141,-1.6 145,-0.2 1,-0.2 -1,-0.1 -0.952 98.5 2.7-118.5 134.6 16.0 51.5 50.2 91 100 A P T >4 S+ 0 0 8 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.989 124.4 62.8 -90.5 2.2 13.2 52.3 50.9 92 101 A T T 34 S+ 0 0 26 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.556 100.6 52.3 -72.2 -14.0 14.2 55.4 52.9 93 102 A S T 3< S+ 0 0 15 -4,-1.9 2,-0.3 -5,-0.1 -1,-0.3 0.380 102.0 79.9 -95.4 2.5 15.9 57.3 50.1 94 103 A M < - 0 0 12 -3,-1.9 -6,-0.0 -5,-0.2 -5,-0.0 -0.841 64.7-147.4-113.8 147.0 12.8 56.9 47.9 95 104 A D > - 0 0 36 -2,-0.3 4,-2.0 1,-0.1 3,-0.3 -0.720 43.7 -60.7 -97.3 157.6 9.4 58.7 47.7 96 105 A P T 4 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.453 113.7 38.3 -58.8 151.9 6.2 57.1 46.6 97 106 A P T >4 S+ 0 0 107 0, 0.0 3,-1.2 0, 0.0 4,-0.5 -0.941 127.5 37.3 -75.0 -27.2 5.3 55.8 44.1 98 107 A E T 34 S+ 0 0 108 -3,-0.3 3,-0.5 1,-0.3 4,-0.4 0.826 112.1 60.7 -56.8 -36.7 8.7 54.1 43.6 99 108 A Q T >X S+ 0 0 1 -4,-2.0 3,-1.2 1,-0.2 4,-0.6 0.837 89.1 71.3 -54.5 -40.7 9.3 53.5 47.3 100 109 A R H X> S+ 0 0 128 -3,-1.2 3,-1.3 1,-0.3 4,-0.8 0.825 85.5 60.4 -60.0 -40.9 6.2 51.3 47.9 101 110 A Q H 3> S+ 0 0 40 -4,-0.5 4,-0.7 -3,-0.5 119,-0.4 0.800 102.7 55.4 -56.8 -30.2 7.2 48.0 46.1 102 111 A F H <> S+ 0 0 1 -3,-1.2 4,-2.0 -4,-0.4 -1,-0.3 0.745 92.3 70.2 -79.6 -21.6 10.2 47.6 48.4 103 112 A R H X S+ 0 0 2 -4,-0.7 4,-0.8 2,-0.2 3,-0.6 0.938 111.2 48.1 -68.8 -44.7 10.0 42.8 50.7 106 115 A A H >X S+ 0 0 2 -4,-2.0 4,-1.6 1,-0.3 3,-1.1 0.902 108.2 56.9 -61.8 -40.6 11.4 44.4 53.8 107 116 A N H 3X S+ 0 0 64 -4,-2.8 4,-2.0 1,-0.2 7,-0.3 0.816 97.7 62.7 -57.7 -31.8 8.3 43.3 55.7 108 117 A Q H << S+ 0 0 106 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.802 112.5 35.0 -61.4 -33.3 9.0 39.7 54.7 109 118 A V H << S+ 0 0 4 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.675 134.9 17.3-102.3 -19.5 12.3 39.7 56.6 110 119 A V H < S+ 0 0 9 -4,-1.6 243,-0.5 100,-0.1 -3,-0.2 0.416 98.6 103.5-132.9 2.6 11.6 41.9 59.7 111 120 A G S >X S- 0 0 0 -4,-2.0 4,-1.7 -5,-0.3 3,-0.5 0.007 85.6 -72.6 -82.3-173.1 7.7 42.1 60.0 112 121 A M H 3> S+ 0 0 63 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.870 123.6 52.1 -54.9 -54.8 5.2 40.4 62.3 113 122 A P H 3> S+ 0 0 95 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.891 113.7 48.1 -54.0 -36.4 5.1 36.8 61.0 114 123 A V H <> S+ 0 0 25 -3,-0.5 4,-2.3 -7,-0.3 -2,-0.2 0.840 109.4 51.6 -66.5 -41.1 9.0 36.7 61.3 115 124 A V H X S+ 0 0 1 -4,-1.7 4,-0.8 2,-0.2 -1,-0.2 0.931 109.6 51.0 -59.4 -46.1 8.9 38.3 64.9 116 125 A D H >< S+ 0 0 85 -4,-2.9 3,-0.8 1,-0.2 4,-0.3 0.926 109.7 50.5 -58.7 -44.6 6.4 35.5 65.8 117 126 A K H >< S+ 0 0 149 -4,-2.0 3,-0.5 -5,-0.3 4,-0.3 0.919 115.7 41.3 -53.1 -49.3 8.8 32.9 64.4 118 127 A L H 3X S+ 0 0 11 -4,-2.3 4,-2.6 1,-0.2 3,-0.3 0.440 83.9 104.7 -83.3 -3.0 11.7 34.3 66.4 119 128 A E H S+ 0 0 127 -3,-0.5 4,-3.0 -4,-0.3 -1,-0.2 0.905 112.3 45.9 -63.4 -46.9 11.3 31.8 71.3 121 130 A R H > S+ 0 0 121 -3,-0.3 4,-2.6 -4,-0.3 -2,-0.2 0.871 113.1 51.4 -64.8 -40.0 14.9 32.8 70.5 122 131 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.967 114.0 43.1 -58.6 -57.3 14.2 36.4 71.6 123 132 A Q H X S+ 0 0 78 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.946 115.5 49.2 -48.8 -55.8 12.7 35.2 74.9 124 133 A E H X S+ 0 0 115 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.867 111.4 48.7 -59.0 -39.7 15.5 32.6 75.4 125 134 A L H X S+ 0 0 33 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.937 111.9 48.1 -67.3 -47.3 18.3 35.2 74.6 126 135 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.951 113.9 47.4 -56.9 -49.1 16.9 37.8 77.0 127 136 A C H X S+ 0 0 23 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.915 113.2 49.4 -60.5 -41.6 16.5 35.3 79.8 128 137 A S H X S+ 0 0 75 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.924 113.1 44.0 -65.1 -49.2 20.0 33.9 79.2 129 138 A L H X S+ 0 0 22 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.929 116.1 47.6 -62.8 -44.6 21.8 37.3 79.2 130 139 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.3 3,-0.2 0.931 110.5 51.1 -65.5 -44.3 19.8 38.5 82.3 131 140 A E H < S+ 0 0 62 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.871 108.1 53.8 -61.5 -37.4 20.4 35.3 84.3 132 141 A S H < S+ 0 0 78 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.868 115.9 38.6 -62.4 -36.8 24.1 35.6 83.5 133 142 A L H >X S+ 0 0 11 -4,-1.6 3,-2.0 -3,-0.2 4,-0.7 0.821 97.1 84.3 -80.6 -34.9 24.2 39.2 84.9 134 143 A R G >< S+ 0 0 41 -4,-2.9 3,-0.9 1,-0.3 -1,-0.1 0.805 89.8 44.4 -42.3 -52.5 21.8 38.5 87.8 135 144 A P G 34 S+ 0 0 73 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.655 100.7 71.9 -75.6 -8.3 24.2 37.2 90.5 136 145 A Q G <4 S- 0 0 104 -3,-2.0 -2,-0.2 -4,-0.2 -3,-0.1 0.774 87.4-144.1 -73.4 -28.5 26.8 39.9 89.8 137 146 A G S << S+ 0 0 9 -3,-0.9 260,-2.4 -4,-0.7 2,-0.3 0.601 73.9 51.8 71.5 12.2 24.8 42.7 91.4 138 147 A Q E +F 396 0B 124 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.963 55.9 170.7-168.3 154.4 26.1 45.1 88.7 139 148 A C E -F 395 0B 6 256,-1.7 256,-2.5 -2,-0.3 2,-0.8 -0.970 40.7-118.8-160.0 164.4 26.5 45.6 84.9 140 149 A N E > -F 394 0B 82 -2,-0.3 4,-2.7 254,-0.2 3,-0.4 -0.914 37.0-159.7-103.4 95.2 27.4 48.1 82.3 141 150 A F H >>S+ 0 0 0 252,-2.8 5,-2.7 -2,-0.8 4,-1.7 0.802 79.8 57.7 -56.5 -35.8 24.0 48.0 80.7 142 151 A T H 4>S+ 0 0 12 1,-0.2 5,-2.0 3,-0.2 -1,-0.2 0.957 120.8 25.6 -60.9 -52.1 25.0 49.4 77.3 143 152 A E H 45S+ 0 0 119 -3,-0.4 -2,-0.2 3,-0.2 -1,-0.2 0.768 123.5 51.8 -81.4 -24.6 27.6 46.7 76.5 144 153 A D H <5S- 0 0 45 -4,-2.7 -3,-0.2 3,-0.1 -2,-0.2 0.653 135.2 -13.6 -90.1 -18.1 26.2 43.9 78.7 145 154 A Y T X5S+ 0 0 0 -4,-1.7 4,-2.5 -5,-0.3 -3,-0.2 0.447 122.5 64.6-144.9 -49.8 22.6 43.9 77.4 146 155 A A T 4 S+ 0 0 15 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.817 108.7 59.1 -63.0 -32.0 24.2 42.1 72.6 149 158 A F H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 5,-0.2 0.992 117.4 25.1 -61.4 -67.3 20.4 41.5 73.0 150 159 A P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.893 124.2 53.8 -64.5 -37.7 19.0 43.2 69.8 151 160 A I H X S+ 0 0 1 -4,-1.9 4,-3.0 -5,-0.2 5,-0.2 0.933 108.5 46.2 -66.7 -44.1 22.2 42.9 67.9 152 161 A R H X S+ 0 0 91 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.867 112.4 52.9 -66.0 -34.9 22.6 39.1 68.3 153 162 A I H X S+ 0 0 3 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.933 111.6 45.8 -60.2 -47.7 19.0 38.7 67.4 154 163 A F H X S+ 0 0 9 -4,-2.5 4,-2.6 86,-0.2 -2,-0.2 0.930 110.8 51.5 -63.8 -44.1 19.6 40.7 64.3 155 164 A M H X>S+ 0 0 1 -4,-3.0 5,-2.5 1,-0.2 4,-0.6 0.869 110.6 50.6 -61.5 -34.6 22.8 38.8 63.4 156 165 A L H ><5S+ 0 0 65 -4,-2.0 3,-1.0 3,-0.2 -1,-0.2 0.958 111.7 46.0 -63.0 -52.1 20.8 35.6 63.8 157 166 A L H 3<5S+ 0 0 17 -4,-2.4 53,-3.0 1,-0.3 -2,-0.2 0.843 118.1 43.6 -58.7 -36.5 18.0 36.8 61.5 158 167 A A H 3<5S- 0 0 0 -4,-2.6 53,-0.4 51,-0.2 -1,-0.3 0.471 107.3-125.7 -89.9 -6.0 20.5 38.0 59.0 159 168 A G T <<5 + 0 0 32 -3,-1.0 -3,-0.2 -4,-0.6 -4,-0.1 0.864 60.6 143.8 59.2 41.1 22.7 34.9 59.2 160 169 A L < - 0 0 11 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.1 -0.868 55.3-104.4-111.1 143.7 25.8 37.0 60.0 161 170 A P > - 0 0 55 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.437 18.5-132.9 -71.1 140.3 28.6 35.9 62.4 162 171 A E G > S+ 0 0 105 1,-0.3 3,-1.9 2,-0.2 -7,-0.0 0.768 102.6 71.6 -61.8 -28.5 28.7 37.5 65.8 163 172 A E G 3 S+ 0 0 163 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.696 91.0 61.5 -59.7 -19.5 32.4 38.1 65.4 164 173 A D G <> S+ 0 0 38 -3,-1.9 4,-2.4 1,-0.2 5,-0.3 0.547 78.3 93.9 -79.4 -10.5 31.5 40.8 62.8 165 174 A I H <> S+ 0 0 31 -3,-1.9 4,-3.1 1,-0.2 5,-0.3 0.913 79.0 51.8 -54.8 -50.4 29.5 42.8 65.4 166 175 A P H > S+ 0 0 95 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.906 114.0 44.8 -56.2 -40.7 32.3 45.3 66.5 167 176 A H H > S+ 0 0 99 -4,-0.3 4,-2.2 -3,-0.3 -2,-0.2 0.957 116.9 43.3 -65.6 -51.8 33.1 46.2 62.9 168 177 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.856 113.0 52.4 -65.6 -36.0 29.5 46.6 61.8 169 178 A K H X S+ 0 0 18 -4,-3.1 4,-2.3 -5,-0.3 -1,-0.2 0.915 108.6 51.2 -67.6 -41.3 28.5 48.5 65.0 170 179 A Y H X S+ 0 0 81 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.952 112.6 46.0 -56.5 -49.7 31.4 51.0 64.5 171 180 A L H X S+ 0 0 2 -4,-2.2 4,-0.9 1,-0.2 3,-0.3 0.917 111.9 50.0 -61.8 -46.2 30.3 51.6 60.9 172 181 A T H >X S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 4,-0.9 0.927 108.2 53.8 -61.1 -42.2 26.6 52.1 61.8 173 182 A D H 3X S+ 0 0 29 -4,-2.3 4,-3.1 1,-0.3 3,-0.4 0.816 100.8 60.5 -62.7 -31.9 27.5 54.5 64.5 174 183 A Q H 3< S+ 0 0 9 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.779 103.7 51.6 -66.8 -23.2 29.5 56.7 62.1 175 184 A M H << S+ 0 0 4 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.752 123.7 25.8 -83.4 -23.1 26.3 57.2 60.0 176 185 A T H < S+ 0 0 2 -4,-0.9 210,-2.0 -3,-0.4 211,-0.4 0.749 140.5 14.6-110.3 -35.2 24.2 58.3 63.0 177 186 A R S < S- 0 0 26 -4,-3.1 -2,-0.2 208,-0.2 -1,-0.1 -0.528 81.2-162.0-141.0 64.8 26.7 59.8 65.5 178 187 A P - 0 0 56 0, 0.0 -4,-0.1 0, 0.0 5,-0.1 -0.221 16.5-158.0 -58.8 136.5 29.9 60.3 63.6 179 188 A D - 0 0 106 3,-0.1 -5,-0.1 0, 0.0 -6,-0.0 0.393 52.0-105.2 -87.7 -0.3 33.0 60.7 65.8 180 189 A G S S+ 0 0 66 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.219 99.3 105.2 97.5 -11.4 34.6 62.4 62.8 181 190 A S S S+ 0 0 70 1,-0.2 2,-0.4 2,-0.0 -7,-0.0 0.703 88.2 29.2 -70.8 -19.9 36.9 59.5 61.7 182 191 A M S S- 0 0 45 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.2 -1.000 74.7-131.5-141.9 138.4 34.6 58.8 58.8 183 192 A T > - 0 0 75 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.430 37.9-107.9 -72.2 160.9 32.2 60.8 56.6 184 193 A F H > S+ 0 0 17 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.934 122.4 54.0 -51.9 -49.6 28.8 59.3 56.1 185 194 A A H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 108.8 47.5 -54.5 -46.5 29.8 58.4 52.5 186 195 A E H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 113.3 47.5 -63.7 -41.2 32.9 56.5 53.7 187 196 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.917 113.1 49.0 -66.3 -43.0 30.9 54.6 56.4 188 197 A K H X S+ 0 0 17 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.935 111.0 49.8 -62.4 -45.6 28.2 53.7 53.9 189 198 A E H X S+ 0 0 101 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.879 109.5 51.7 -63.9 -35.3 30.7 52.5 51.4 190 199 A A H X S+ 0 0 21 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.888 109.5 49.7 -66.2 -36.9 32.4 50.4 54.0 191 200 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.932 112.4 47.7 -65.6 -42.3 29.0 48.8 54.9 192 201 A Y H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.864 107.0 57.2 -65.8 -37.2 28.4 48.1 51.2 193 202 A D H < S+ 0 0 123 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.876 109.1 46.6 -59.6 -37.9 32.0 46.7 50.9 194 203 A Y H X S+ 0 0 34 -4,-1.7 4,-0.7 1,-0.2 -2,-0.2 0.926 117.6 42.3 -68.1 -45.3 31.0 44.2 53.7 195 204 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.801 94.0 76.8 -75.6 -34.8 27.7 43.3 52.0 196 205 A I H X S+ 0 0 93 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.897 100.6 40.4 -49.5 -52.0 28.6 43.0 48.3 197 206 A P H > S+ 0 0 74 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.857 115.3 51.8 -64.7 -35.4 30.3 39.5 48.6 198 207 A I H X S+ 0 0 25 -4,-0.7 4,-2.2 -3,-0.2 -2,-0.2 0.909 110.6 48.1 -68.0 -44.4 27.6 38.1 51.0 199 208 A I H X S+ 0 0 4 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.887 112.2 49.5 -62.1 -43.3 24.8 39.2 48.7 200 209 A E H X S+ 0 0 88 -4,-2.0 4,-1.6 -5,-0.3 3,-0.4 0.934 111.1 49.3 -59.5 -48.8 26.6 37.6 45.7 201 210 A Q H X S+ 0 0 112 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.883 112.7 47.8 -58.9 -40.4 27.1 34.4 47.6 202 211 A R H < S+ 0 0 42 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.660 106.8 53.9 -84.5 -16.3 23.5 34.2 48.7 203 212 A R H < S+ 0 0 79 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.760 114.0 45.3 -77.5 -30.6 22.0 34.9 45.2 204 213 A Q H < S+ 0 0 127 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.923 134.3 14.7 -73.6 -48.3 24.1 32.0 44.0 205 214 A K S < S- 0 0 149 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.1 -0.762 87.2-153.9-131.6 83.8 23.2 29.7 46.9 206 215 A P - 0 0 77 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.273 13.3-175.5 -59.5 137.1 20.1 31.1 48.7 207 216 A G - 0 0 41 2,-0.1 -48,-0.0 -5,-0.1 -5,-0.0 -0.368 40.5 -96.3-110.0-159.3 19.6 30.3 52.4 208 217 A T S S+ 0 0 121 -2,-0.2 -49,-0.1 4,-0.1 2,-0.0 0.380 84.5 108.6-103.3 -0.0 16.7 31.1 54.8 209 218 A D S > S- 0 0 25 -51,-0.1 4,-2.4 1,-0.1 -51,-0.2 -0.236 84.0-101.2 -75.6 168.1 18.3 34.2 56.4 210 219 A A H > S+ 0 0 6 -53,-3.0 4,-2.5 1,-0.2 5,-0.2 0.843 120.2 51.6 -60.3 -39.8 17.2 37.8 55.8 211 220 A I H > S+ 0 0 3 -53,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.937 110.8 49.1 -65.3 -44.3 20.0 38.7 53.4 212 221 A S H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.918 112.3 49.2 -56.1 -46.4 19.1 35.6 51.3 213 222 A I H < S+ 0 0 55 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.923 115.4 41.5 -65.1 -44.9 15.4 36.5 51.2 214 223 A V H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.950 114.3 52.1 -65.6 -47.1 16.0 40.1 50.2 215 224 A A H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.740 117.8 36.8 -64.5 -27.2 18.7 39.3 47.6 216 225 A N T 3< S+ 0 0 71 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.206 100.0 119.7-106.4 13.4 16.5 36.6 45.9 217 226 A G < - 0 0 8 -3,-1.6 7,-2.4 -4,-0.1 2,-0.4 -0.146 57.1-130.3 -79.9 167.8 13.3 38.6 46.4 218 227 A Q E -H 223 0C 128 5,-0.2 2,-0.5 -117,-0.0 -1,-0.1 -0.911 8.3-152.7-113.1 146.6 10.8 40.1 44.0 219 228 A V E > S-H 222 0C 1 3,-3.1 3,-1.2 -2,-0.4 -117,-0.1 -0.966 81.9 -23.6-120.8 117.9 9.5 43.7 44.0 220 229 A N T 3 S- 0 0 130 -2,-0.5 -1,-0.1 -119,-0.4 -118,-0.1 0.907 130.8 -47.3 41.5 48.9 6.0 44.0 42.5 221 230 A G T 3 S+ 0 0 64 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.483 119.8 95.5 84.9 5.9 6.6 40.8 40.5 222 231 A R E < S-H 219 0C 84 -3,-1.2 -3,-3.1 1,-0.0 -1,-0.2 -0.916 81.5 -89.8-125.9 154.8 10.1 41.5 39.1 223 232 A P E -H 218 0C 100 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 -0.335 37.8-121.8 -65.1 137.1 13.5 40.4 40.4 224 233 A I - 0 0 3 -7,-2.4 2,-0.2 -10,-0.2 3,-0.0 -0.499 30.4-122.1 -68.2 145.5 15.4 42.7 42.8 225 234 A T > - 0 0 59 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.509 18.6-112.7 -82.4 159.1 18.8 43.8 41.4 226 235 A S H > S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.896 119.9 51.2 -53.7 -42.3 22.0 43.1 43.3 227 236 A D H > S+ 0 0 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