==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-MAY-03 1P7R . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR M.STRICKLER,B.M.GOLDSTEIN,K.MAXFIELD,L.SHIREMAN,G.KIM, . 407 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 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 . 31 7.6 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 . 19 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 36.4 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 3 0 0 2 1 2 1 1 0 0 1 1 0 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 3 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 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 0 193 0, 0.0 50,-0.4 0, 0.0 49,-0.3 0.000 360.0 360.0 360.0-141.0 31.0 21.9 61.0 2 11 A L - 0 0 66 47,-0.1 47,-0.2 48,-0.1 3,-0.0 -0.597 360.0-133.6 -91.4 141.7 28.1 24.3 61.8 3 12 A A - 0 0 24 45,-2.0 -1,-0.0 -2,-0.3 2,-0.0 -0.620 39.8 -92.9 -87.8 144.3 27.2 27.6 60.1 4 13 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.344 51.1-101.7 -59.1 133.1 26.5 30.6 62.2 5 14 A L - 0 0 59 1,-0.1 6,-0.1 2,-0.1 43,-0.0 -0.336 36.3-115.6 -60.9 126.4 22.7 30.9 62.9 6 15 A P > - 0 0 31 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.313 25.3-112.7 -62.4 144.5 20.9 33.4 60.7 7 16 A P T 3 S+ 0 0 141 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.800 113.9 50.1 -45.6 -42.2 19.3 36.5 62.5 8 17 A H T 3 S+ 0 0 41 2,-0.1 294,-0.2 296,-0.0 -3,-0.0 0.436 86.9 102.9 -83.4 0.7 15.7 35.4 61.8 9 18 A V < - 0 0 6 -3,-2.1 2,-0.3 292,-0.1 5,-0.1 -0.750 69.3-132.3 -92.3 123.7 16.1 31.8 63.0 10 19 A P > - 0 0 37 0, 0.0 3,-2.0 0, 0.0 4,-0.1 -0.521 11.2-135.0 -71.9 130.7 14.6 30.9 66.4 11 20 A E G > S+ 0 0 156 -2,-0.3 3,-1.1 1,-0.3 35,-0.1 0.743 100.6 65.6 -58.5 -22.8 17.0 29.0 68.6 12 21 A H G 3 S+ 0 0 146 1,-0.2 -1,-0.3 33,-0.0 -3,-0.0 0.556 97.0 55.1 -79.4 -5.3 14.3 26.5 69.6 13 22 A L G < S+ 0 0 15 -3,-2.0 33,-2.6 28,-0.1 2,-0.6 0.264 78.6 119.0-107.0 9.6 13.9 25.2 66.1 14 23 A V B < +a 46 0A 39 -3,-1.1 2,-0.4 31,-0.2 33,-0.2 -0.662 26.5 161.9 -82.9 119.2 17.6 24.2 65.7 15 24 A F - 0 0 65 31,-2.3 2,-3.2 -2,-0.6 30,-0.1 -0.873 33.5-143.3-136.3 98.6 18.2 20.5 65.1 16 25 A D + 0 0 63 -2,-0.4 2,-0.2 31,-0.2 31,-0.1 -0.232 34.9 167.4 -65.8 59.3 21.7 20.0 63.7 17 26 A F - 0 0 5 -2,-3.2 2,-0.6 32,-0.1 32,-0.4 -0.503 25.3-151.8 -73.7 141.2 20.8 17.2 61.3 18 27 A D > - 0 0 49 -2,-0.2 3,-2.1 1,-0.1 -2,-0.1 -0.884 5.8-166.3-121.1 98.3 23.4 16.3 58.7 19 28 A M T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 366,-0.1 0.725 89.2 50.6 -55.9 -27.7 21.8 14.8 55.6 20 29 A Y T 3 S+ 0 0 48 1,-0.2 364,-0.3 364,-0.0 -1,-0.3 0.493 132.2 12.5 -90.1 -3.0 25.1 13.5 54.2 21 30 A N S < S- 0 0 97 -3,-2.1 -1,-0.2 362,-0.1 -2,-0.2 -0.156 80.1-164.3-167.6 59.6 26.0 11.8 57.5 22 31 A P > - 0 0 1 0, 0.0 3,-1.3 0, 0.0 11,-0.1 -0.124 26.5-122.0 -50.9 143.5 23.0 11.6 59.9 23 32 A S T 3 S+ 0 0 119 1,-0.3 3,-0.4 9,-0.1 9,-0.1 0.873 109.0 48.1 -58.8 -41.3 24.0 10.7 63.5 24 33 A N T > S+ 0 0 66 1,-0.2 3,-1.2 8,-0.2 -1,-0.3 -0.016 74.2 128.4 -92.8 35.3 21.9 7.6 63.8 25 34 A L G X + 0 0 16 -3,-1.3 3,-1.6 1,-0.2 357,-0.3 0.807 60.1 63.8 -59.8 -36.3 23.1 6.1 60.5 26 35 A S G 3 S+ 0 0 106 -3,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.714 94.1 63.3 -64.0 -21.3 24.1 2.7 61.8 27 36 A A G < S- 0 0 54 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.564 130.1 -68.5 -79.5 -8.7 20.5 1.9 62.7 28 37 A G <> - 0 0 11 -3,-1.6 4,-2.2 -4,-0.2 -1,-0.3 -0.075 44.4-105.6 124.7 133.4 19.4 2.1 59.0 29 38 A V H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.860 120.4 49.6 -59.6 -36.2 19.3 5.2 56.9 30 39 A Q H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.878 111.3 51.3 -68.7 -34.7 15.5 5.6 57.0 31 40 A E H > S+ 0 0 56 -3,-0.3 4,-0.7 2,-0.2 -2,-0.2 0.872 106.7 54.6 -66.7 -38.3 15.7 5.1 60.8 32 41 A A H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 4,-0.2 0.939 110.4 44.6 -61.0 -48.5 18.3 7.9 61.0 33 42 A W H >< S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.817 101.9 68.3 -66.5 -30.7 16.1 10.3 59.1 34 43 A A H >< S+ 0 0 21 -4,-1.6 3,-3.4 1,-0.3 4,-0.3 0.720 76.9 81.5 -63.2 -20.5 13.0 9.4 61.2 35 44 A V G X< S+ 0 0 15 -3,-1.0 3,-1.5 -4,-0.7 -1,-0.3 0.819 81.5 67.0 -55.8 -26.6 14.6 10.9 64.3 36 45 A L G < S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.524 98.4 53.7 -69.6 -5.1 13.2 14.2 62.8 37 46 A Q G < S+ 0 0 13 -3,-3.4 -1,-0.3 -4,-0.1 -2,-0.2 0.394 76.2 124.2-110.9 2.2 9.8 12.7 63.5 38 47 A E S X S- 0 0 103 -3,-1.5 3,-1.5 -4,-0.3 -3,-0.0 -0.268 78.6 -99.4 -62.2 151.4 10.1 11.9 67.2 39 48 A S T 3 S+ 0 0 118 1,-0.3 -1,-0.1 0, 0.0 -3,-0.0 0.805 118.5 50.8 -40.1 -49.6 7.5 13.6 69.4 40 49 A N T 3 S+ 0 0 118 2,-0.0 -1,-0.3 0, 0.0 -4,-0.1 0.726 89.1 94.8 -67.9 -24.4 9.6 16.5 70.7 41 50 A V S < S- 0 0 7 -3,-1.5 -28,-0.1 -6,-0.2 4,-0.1 -0.559 74.7-125.6 -76.9 130.5 10.8 17.7 67.2 42 51 A P - 0 0 50 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.046 23.0-109.0 -64.0 170.3 8.8 20.4 65.5 43 52 A D S S+ 0 0 50 1,-0.2 14,-3.4 256,-0.1 15,-0.6 0.801 108.1 34.1 -73.2 -29.1 7.3 20.1 62.0 44 53 A L E S+ B 0 56A 5 12,-0.2 -1,-0.2 13,-0.1 12,-0.2 -0.957 76.2 168.8-133.2 115.6 9.8 22.6 60.5 45 54 A V E - B 0 55A 0 10,-2.1 10,-2.0 -2,-0.4 2,-0.4 -0.577 27.0-130.3-116.9 178.5 13.4 22.8 61.8 46 55 A W E -aB 14 54A 12 -33,-2.6 -31,-2.3 8,-0.2 2,-0.4 -0.999 15.7-163.0-134.3 127.8 16.7 24.5 60.9 47 56 A T E - B 0 53A 0 6,-1.9 6,-1.7 -2,-0.4 -31,-0.2 -0.861 15.2-152.4-109.6 146.7 20.0 22.6 60.8 48 57 A R > + 0 0 74 -2,-0.4 -45,-2.0 4,-0.2 3,-0.6 0.522 66.3 106.9 -94.2 -6.5 23.3 24.4 60.8 49 58 A C G > S+ 0 0 12 -32,-0.4 3,-2.4 1,-0.2 -2,-0.1 -0.250 77.5 16.9 -69.2 157.9 25.0 21.6 58.9 50 59 A N G 3 S- 0 0 45 -49,-0.3 31,-0.3 1,-0.3 -1,-0.2 0.834 141.8 -46.8 48.6 41.2 25.9 21.8 55.2 51 60 A G G < S- 0 0 62 -3,-0.6 -1,-0.3 -50,-0.4 -2,-0.2 0.225 104.3 -74.3 90.3 -15.4 25.7 25.6 55.2 52 61 A G < + 0 0 4 -3,-2.4 256,-0.3 1,-0.1 2,-0.3 0.489 61.4 168.1 94.2 123.3 22.4 25.8 57.0 53 62 A H E -B 47 0A 0 -6,-1.7 -6,-1.9 254,-0.1 256,-0.2 -0.969 34.2-104.7-164.7 149.0 18.9 25.0 55.7 54 63 A W E -Bc 46 309A 0 254,-2.1 256,-2.1 -2,-0.3 2,-0.3 -0.243 28.8-156.2 -71.1 164.3 15.3 24.4 56.8 55 64 A I E -Bc 45 310A 0 -10,-2.0 -10,-2.1 254,-0.2 2,-0.4 -0.863 8.5-149.5-148.5 110.7 13.9 20.9 57.0 56 65 A A E -B 44 0A 0 254,-1.9 -12,-0.2 -2,-0.3 -13,-0.1 -0.677 15.0-171.7 -77.6 129.9 10.1 20.1 56.8 57 66 A T + 0 0 0 -14,-3.4 2,-0.3 -2,-0.4 -1,-0.1 0.514 54.8 65.5-105.3 -5.5 9.7 16.8 58.8 58 67 A R S > S- 0 0 9 -15,-0.6 4,-2.8 1,-0.1 3,-0.3 -0.887 77.3-123.0-122.7 151.6 6.1 15.9 58.2 59 68 A G H > S+ 0 0 0 -2,-0.3 4,-3.4 256,-0.3 5,-0.4 0.908 109.7 56.1 -54.4 -48.8 4.1 14.8 55.1 60 69 A Q H > S+ 0 0 109 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.897 113.8 40.9 -52.3 -44.7 1.6 17.6 55.4 61 70 A L H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.942 116.6 49.0 -67.8 -50.0 4.3 20.2 55.3 62 71 A I H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.898 112.3 47.2 -57.7 -45.5 6.3 18.4 52.6 63 72 A R H X S+ 0 0 57 -4,-3.4 4,-1.0 -5,-0.2 -1,-0.2 0.884 112.0 52.0 -65.8 -36.3 3.3 17.9 50.3 64 73 A E H >X S+ 0 0 68 -4,-1.5 4,-2.0 -5,-0.4 3,-0.5 0.935 108.2 48.7 -65.7 -49.0 2.3 21.5 50.7 65 74 A A H 3< S+ 0 0 0 -4,-2.5 7,-0.3 1,-0.2 -1,-0.2 0.887 108.6 54.0 -60.5 -41.3 5.7 23.0 49.8 66 75 A Y H 3< S+ 0 0 2 -4,-1.8 279,-0.6 1,-0.2 -1,-0.2 0.771 110.1 47.3 -66.5 -25.3 6.0 20.8 46.7 67 76 A E H << S+ 0 0 114 -4,-1.0 2,-1.6 -3,-0.5 -1,-0.2 0.863 100.8 69.5 -82.4 -35.4 2.6 22.0 45.4 68 77 A D X + 0 0 41 -4,-2.0 4,-2.0 1,-0.2 3,-0.3 -0.584 54.3 160.0 -87.1 79.2 3.4 25.7 46.1 69 78 A Y T 4 + 0 0 58 -2,-1.6 -1,-0.2 1,-0.2 5,-0.1 0.637 66.9 69.2 -74.8 -13.9 6.0 26.3 43.4 70 79 A R T 4 S+ 0 0 175 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.922 114.2 24.4 -71.3 -42.9 5.4 30.0 43.7 71 80 A H T 4 S+ 0 0 51 -3,-0.3 222,-1.7 1,-0.2 2,-0.6 0.776 127.2 50.3 -90.6 -27.7 6.9 30.3 47.2 72 81 A F E < S-D 292 0A 0 -4,-2.0 2,-0.3 -7,-0.3 -1,-0.2 -0.864 77.9-164.7-115.5 97.2 9.1 27.2 46.9 73 82 A S E > -D 291 0A 2 218,-2.5 218,-2.3 -2,-0.6 3,-0.7 -0.614 23.4-149.8 -89.0 139.9 11.2 27.2 43.7 74 83 A S T 3 S+ 0 0 0 -2,-0.3 -1,-0.1 1,-0.2 20,-0.1 0.380 76.0 101.7 -81.4 1.5 13.1 24.2 42.2 75 84 A E T 3 S+ 0 0 135 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.781 97.2 21.5 -58.3 -29.4 15.7 26.7 40.8 76 85 A C S < S+ 0 0 8 -3,-0.7 -1,-0.3 215,-0.1 9,-0.2 -0.661 81.1 157.9-139.8 75.0 18.2 25.8 43.6 77 86 A P + 0 0 3 0, 0.0 212,-2.1 0, 0.0 2,-0.3 0.352 43.7 77.1 -83.3 -2.3 16.9 22.3 44.7 78 87 A F S S- 0 0 20 210,-0.2 6,-0.5 2,-0.1 7,-0.1 -0.825 76.2-101.7-119.0 157.6 19.9 20.8 46.4 79 88 A I S S+ 0 0 9 -2,-0.3 2,-0.2 4,-0.1 307,-0.1 -0.942 94.5 47.9-108.4 133.5 21.8 21.1 49.7 80 89 A P S > S- 0 0 28 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.524 87.9-122.8 -76.9-179.6 24.4 22.6 49.9 81 90 A R H > S+ 0 0 88 -31,-0.3 4,-2.3 1,-0.2 5,-0.2 0.832 108.2 54.2 -60.3 -37.5 23.9 26.0 48.2 82 91 A E H > S+ 0 0 129 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.885 108.6 50.4 -67.6 -34.5 26.7 25.7 45.7 83 92 A A H > S+ 0 0 3 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.899 113.1 44.8 -68.1 -42.9 25.3 22.4 44.4 84 93 A G H < S+ 0 0 0 -4,-1.8 -2,-0.2 -6,-0.5 -1,-0.2 0.869 111.6 52.3 -69.9 -37.2 21.8 23.7 44.0 85 94 A E H < S+ 0 0 137 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.892 114.4 43.2 -65.9 -37.0 23.0 26.9 42.3 86 95 A A H < S+ 0 0 24 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.2 0.697 92.0 100.1 -80.9 -20.8 25.1 24.9 39.8 87 96 A Y < + 0 0 15 -4,-1.3 -9,-0.1 1,-0.1 98,-0.0 -0.533 34.9 153.1 -71.0 125.3 22.3 22.3 39.2 88 97 A D + 0 0 36 -2,-0.3 -1,-0.1 -12,-0.1 5,-0.1 0.110 13.4 146.6-141.5 25.2 20.5 23.0 36.0 89 98 A F > - 0 0 1 145,-0.1 4,-2.2 1,-0.1 143,-0.2 -0.244 52.6 -86.4 -61.9 155.5 19.1 19.7 34.7 90 99 A I T 4 S+ 0 0 0 141,-1.4 145,-0.2 1,-0.2 -1,-0.1 -0.935 100.8 0.9-114.4 137.2 15.8 19.9 32.9 91 100 A P T >4 S+ 0 0 10 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.992 122.3 66.9 -91.2 2.1 13.0 19.8 34.0 92 101 A T T 34 S+ 0 0 28 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.747 100.3 50.7 -54.1 -29.8 14.1 19.5 37.7 93 102 A S T 3< S+ 0 0 16 -4,-2.2 2,-0.3 -18,-0.1 -1,-0.3 0.304 101.4 79.6 -94.0 14.1 15.7 23.0 37.9 94 103 A M < - 0 0 33 -3,-2.1 -20,-0.0 -5,-0.1 -5,-0.0 -0.861 62.4-149.8-120.8 152.9 12.5 24.7 36.4 95 104 A D > - 0 0 23 -2,-0.3 4,-1.7 1,-0.1 3,-0.3 -0.747 45.1 -54.0-111.1 163.3 9.2 25.8 37.9 96 105 A P T 4 S+ 0 0 6 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.379 113.9 34.1 -66.0 157.1 5.9 26.0 36.0 97 106 A P T >> S+ 0 0 96 0, 0.0 4,-0.7 0, 0.0 3,-0.6 -0.971 126.0 41.3 -80.7 -21.8 5.0 27.3 33.5 98 107 A E T 34 S+ 0 0 102 -3,-0.3 4,-0.4 1,-0.2 3,-0.3 0.842 113.0 52.6 -54.7 -42.1 8.4 26.9 31.8 99 108 A Q T >X S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.2 4,-0.7 0.808 91.8 73.9 -69.5 -29.6 9.1 23.3 33.0 100 109 A R H X> S+ 0 0 126 -3,-0.6 3,-1.7 1,-0.2 4,-0.8 0.903 89.2 57.8 -50.0 -52.7 5.8 21.8 31.8 101 110 A Q H 3X S+ 0 0 45 -4,-0.7 4,-0.6 -3,-0.3 119,-0.3 0.746 102.9 55.4 -52.2 -28.9 6.7 21.7 28.1 102 111 A F H <> S+ 0 0 2 -3,-1.2 4,-1.5 -4,-0.4 -1,-0.3 0.690 93.3 68.2 -81.3 -19.2 9.8 19.6 28.7 103 112 A R H < S+ 0 0 2 -4,-0.6 3,-1.0 1,-0.2 4,-0.4 0.921 110.0 49.6 -63.1 -42.7 9.5 15.2 25.6 106 115 A A H >X S+ 0 0 5 -4,-1.5 3,-2.1 1,-0.3 4,-1.5 0.913 104.7 59.6 -62.4 -39.6 11.0 13.2 28.4 107 116 A N H 3X S+ 0 0 60 -4,-2.6 4,-1.4 1,-0.3 7,-0.4 0.719 92.3 69.5 -60.0 -22.9 7.9 11.0 28.5 108 117 A Q H << S+ 0 0 110 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.709 110.5 30.5 -68.7 -21.2 8.8 10.1 24.9 109 118 A V H <4 S+ 0 0 4 -3,-2.1 -2,-0.2 -4,-0.4 -1,-0.2 0.638 137.0 18.8-112.9 -18.5 11.8 8.2 26.0 110 119 A V H < S+ 0 0 12 -4,-1.5 243,-0.3 100,-0.1 -3,-0.2 0.434 92.4 119.1-129.2 -2.6 10.9 6.8 29.5 111 120 A G S >X S- 0 0 1 -4,-1.4 4,-2.4 -5,-0.4 3,-0.8 -0.037 83.0 -89.0 -62.7 168.6 7.1 7.0 29.6 112 121 A M H 3> S+ 0 0 109 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.839 124.7 58.8 -45.6 -45.7 4.7 4.1 30.0 113 122 A P H 3> S+ 0 0 96 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.921 110.3 41.4 -54.4 -46.7 4.5 3.5 26.2 114 123 A V H <> S+ 0 0 40 -3,-0.8 4,-0.6 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146 155 A A T 4 S+ 0 0 14 0, 0.0 4,-2.5 0, 0.0 5,-0.4 0.886 107.6 56.4 -58.2 -45.7 24.2 -3.9 36.4 149 158 A F H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -3,-0.1 0.953 118.7 28.7 -53.8 -60.0 20.4 -4.7 36.0 150 159 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.901 121.9 51.4 -70.4 -42.3 19.1 -1.1 35.9 151 160 A I H X S+ 0 0 2 -4,-2.1 4,-3.6 1,-0.2 5,-0.2 0.912 110.6 46.9 -64.0 -41.8 22.2 0.5 34.5 152 161 A R H X S+ 0 0 92 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.850 109.5 55.1 -68.2 -33.6 22.6 -1.9 31.5 153 162 A I H X S+ 0 0 5 -4,-1.2 4,-1.9 -5,-0.4 -1,-0.2 0.911 116.2 38.9 -63.5 -42.4 18.8 -1.5 30.7 154 163 A F H X S+ 0 0 15 -4,-1.9 4,-2.9 86,-0.2 5,-0.2 0.953 111.0 54.6 -73.9 -53.6 19.4 2.3 30.6 155 164 A M H <>S+ 0 0 1 -4,-3.6 5,-2.5 1,-0.2 4,-0.3 0.885 112.0 49.5 -48.2 -37.2 22.8 2.3 28.8 156 165 A L H ><5S+ 0 0 109 -4,-1.9 3,-1.9 -5,-0.2 -1,-0.2 0.973 110.7 45.7 -64.1 -58.2 21.0 0.2 26.2 157 166 A L H 3<5S+ 0 0 30 -4,-1.9 53,-2.8 1,-0.3 -2,-0.2 0.809 115.4 50.6 -55.4 -31.4 18.0 2.5 25.8 158 167 A A T 3<5S- 0 0 0 -4,-2.9 -1,-0.3 51,-0.2 53,-0.2 0.439 107.2-124.0 -90.3 -1.1 20.5 5.4 25.6 159 168 A G T < 5 + 0 0 36 -3,-1.9 -3,-0.2 -4,-0.3 -4,-0.1 0.832 65.0 138.4 62.1 30.0 22.8 3.9 23.0 160 169 A L < - 0 0 7 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.927 57.3-109.5-111.2 129.8 25.7 4.3 25.3 161 170 A P > - 0 0 61 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.207 16.8-129.7 -57.7 142.4 28.4 1.5 25.6 162 171 A E G > S+ 0 0 105 1,-0.3 3,-2.2 2,-0.2 -7,-0.0 0.805 102.9 70.7 -64.1 -30.1 28.6 -0.5 28.8 163 172 A E G 3 S+ 0 0 156 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.646 91.9 62.2 -62.7 -12.0 32.3 0.0 29.1 164 173 A D G <> S+ 0 0 42 -3,-1.5 4,-2.2 1,-0.2 3,-0.3 0.574 78.9 92.7 -90.4 -7.1 31.5 3.6 30.0 165 174 A I H <> S+ 0 0 28 -3,-2.2 4,-3.5 1,-0.2 5,-0.3 0.916 78.3 52.3 -53.4 -56.2 29.5 2.6 33.1 166 175 A P H > S+ 0 0 92 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.884 113.8 45.0 -50.8 -40.5 32.2 2.8 35.8 167 176 A H H > S+ 0 0 100 -4,-0.3 4,-1.7 -3,-0.3 -2,-0.2 0.932 117.7 42.5 -68.5 -48.6 33.1 6.4 34.8 168 177 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.890 112.2 53.9 -66.7 -41.5 29.5 7.6 34.5 169 178 A K H X S+ 0 0 20 -4,-3.5 4,-2.2 -5,-0.2 -1,-0.2 0.910 108.4 50.4 -59.0 -44.1 28.4 5.8 37.7 170 179 A Y H X S+ 0 0 88 -4,-1.7 4,-1.3 -5,-0.3 -1,-0.2 0.900 110.8 48.9 -60.2 -45.6 31.2 7.5 39.6 171 180 A L H < S+ 0 0 6 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.884 110.1 49.9 -64.9 -42.1 30.3 11.0 38.3 172 181 A T H >X S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 4,-1.1 0.927 107.9 54.8 -65.0 -41.3 26.6 10.6 39.1 173 182 A D H 3X S+ 0 0 31 -4,-2.2 4,-3.6 1,-0.3 3,-0.3 0.836 97.7 62.8 -60.5 -32.2 27.4 9.4 42.7 174 183 A Q H 3< S+ 0 0 6 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.671 104.3 50.7 -67.2 -14.4 29.5 12.6 43.3 175 184 A M H <4 S+ 0 0 7 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.748 122.6 28.0 -91.9 -28.1 26.2 14.5 42.8 176 185 A T H < S+ 0 0 6 -4,-1.1 210,-2.0 -3,-0.3 211,-0.5 0.783 141.0 11.0-101.5 -36.7 24.2 12.4 45.3 177 186 A R S < S- 0 0 48 -4,-3.6 -2,-0.2 208,-0.2 -1,-0.1 -0.579 79.7-158.8-144.7 73.6 26.8 11.2 47.8 178 187 A P - 0 0 57 0, 0.0 -4,-0.1 0, 0.0 6,-0.0 -0.338 12.2-157.0 -59.7 126.6 30.1 13.1 47.2 179 188 A D - 0 0 99 -2,-0.1 -5,-0.1 1,-0.0 -6,-0.0 0.405 51.0-104.7 -84.2 2.7 33.2 11.3 48.6 180 189 A G S S+ 0 0 65 2,-0.4 3,-0.0 -6,-0.1 -1,-0.0 0.180 100.1 101.6 98.6 -18.2 34.8 14.7 48.6 181 190 A S S S+ 0 0 73 1,-0.1 2,-0.4 2,-0.0 -7,-0.0 0.737 86.3 38.5 -72.7 -20.0 37.1 14.4 45.6 182 191 A M S S- 0 0 37 -8,-0.1 -2,-0.4 4,-0.0 -1,-0.1 -0.990 73.1-134.5-135.8 142.7 34.7 16.5 43.5 183 192 A T > - 0 0 69 -2,-0.4 4,-1.6 1,-0.1 5,-0.2 -0.304 37.7-106.7 -79.2 170.5 32.5 19.5 43.9 184 193 A F H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.926 120.6 51.8 -66.8 -41.3 29.0 19.4 42.6 185 194 A A H > S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.890 108.1 51.8 -60.2 -42.6 29.9 21.8 39.7 186 195 A E H > S+ 0 0 107 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.885 110.8 45.5 -63.2 -44.2 32.9 19.7 38.7 187 196 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.934 112.6 52.0 -65.6 -47.6 31.0 16.4 38.4 188 197 A K H >X S+ 0 0 16 -4,-2.2 4,-2.4 1,-0.2 3,-0.5 0.951 111.3 46.0 -53.8 -53.5 28.2 18.0 36.5 189 198 A E H 3X S+ 0 0 98 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.851 108.6 56.5 -61.8 -31.6 30.5 19.5 34.0 190 199 A A H 3X S+ 0 0 26 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.844 108.8 47.9 -67.4 -31.9 32.4 16.2 33.7 191 200 A L H S+ 0 0 71 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.823 116.1 49.2 -60.1 -32.9 30.1 15.3 21.6 198 207 A I H X S+ 0 0 23 -4,-0.5 4,-2.5 -3,-0.4 -2,-0.2 0.889 107.1 50.7 -75.3 -43.4 27.3 12.7 21.6 199 208 A I H X S+ 0 0 3 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.872 112.5 50.4 -64.0 -32.0 24.4 15.1 21.4 200 209 A E H X S+ 0 0 126 -4,-1.9 4,-0.9 -5,-0.3 3,-0.5 0.924 112.2 45.5 -72.0 -42.0 26.2 16.8 18.5 201 210 A Q H X S+ 0 0 110 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.834 111.4 52.4 -72.2 -27.6 26.7 13.5 16.7 202 211 A R H < S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.680 107.3 52.8 -78.3 -19.1 23.1 12.3 17.3 203 212 A R H < S+ 0 0 75 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.671 113.2 43.8 -86.7 -20.0 21.8 15.6 15.9 204 213 A Q H < S+ 0 0 140 -4,-0.9 -2,-0.2 1,-0.2 -3,-0.1 0.880 136.5 12.5 -86.5 -49.2 23.9 15.1 12.7 205 214 A K S < S- 0 0 184 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 -0.783 86.6-161.2-130.5 84.9 23.1 11.4 12.3 206 215 A P - 0 0 78 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.436 6.9-170.4 -73.5 141.6 20.2 10.5 14.7 207 216 A G - 0 0 42 -2,-0.1 -48,-0.0 2,-0.1 -5,-0.0 -0.218 40.9 -96.1-106.6-160.2 19.4 6.9 15.7 208 217 A T S S+ 0 0 138 -2,-0.1 -49,-0.1 4,-0.1 5,-0.0 0.355 83.9 116.1-103.9 1.9 16.3 5.6 17.6 209 218 A D S > S- 0 0 28 -51,-0.1 4,-2.1 1,-0.1 -51,-0.2 -0.144 81.9 -99.1 -67.2 167.0 18.0 5.7 21.0 210 219 A A H > S+ 0 0 6 -53,-2.8 4,-2.0 1,-0.2 -52,-0.2 0.873 121.3 48.8 -55.2 -47.2 16.9 8.0 24.0 211 220 A I H > S+ 0 0 7 -53,-0.2 4,-3.1 2,-0.2 5,-0.2 0.873 109.1 53.2 -66.0 -35.9 19.5 10.6 23.4 212 221 A S H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.944 109.4 49.4 -62.8 -45.5 18.7 10.9 19.7 213 222 A I H < S+ 0 0 63 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.894 116.2 42.5 -60.5 -40.6 15.1 11.4 20.5 214 223 A V H >< S+ 0 0 0 -4,-2.0 3,-1.7 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