==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-JUN-11 2YLZ . COMPND 2 MOLECULE: PHENYLACETONE MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOBIFIDA FUSCA; . AUTHOR R.ORRU,H.M.DUDEK,C.MARTINOLI,D.E.TORRES PAZMINO,A.ROYANT,M.W . 533 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22986.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 38 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 4 0 1 1 0 2 0 1 1 1 2 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 3 2 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 PARALLEL BRIDGES PER LADDER . 6 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 1 0 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 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 R 0 0 246 0, 0.0 2,-0.7 0, 0.0 104,-0.1 0.000 360.0 360.0 360.0 -40.3 23.8 15.9 56.2 2 11 A R - 0 0 139 102,-0.2 104,-0.0 104,-0.1 101,-0.0 -0.818 360.0-122.2 -71.1 118.8 23.1 19.6 55.6 3 12 A Q - 0 0 140 -2,-0.7 -1,-0.0 1,-0.1 101,-0.0 -0.438 18.7-124.0 -71.8 131.6 20.0 19.7 57.8 4 13 A P - 0 0 19 0, 0.0 127,-0.1 0, 0.0 -1,-0.1 -0.484 34.0-100.7 -72.4 150.6 16.8 20.8 56.0 5 14 A P - 0 0 43 0, 0.0 128,-0.1 0, 0.0 3,-0.1 -0.221 16.6-129.1 -68.5 158.6 15.0 23.8 57.6 6 15 A E S S+ 0 0 159 1,-0.3 127,-2.4 126,-0.1 2,-0.3 0.838 93.6 14.5 -73.4 -33.3 11.9 23.4 59.8 7 16 A E E +a 133 0A 143 125,-0.2 2,-0.3 3,-0.0 -1,-0.3 -0.996 68.7 166.0-144.6 141.7 9.9 26.0 57.7 8 17 A V E -a 134 0A 15 125,-2.5 127,-1.5 -2,-0.3 3,-0.2 -0.972 41.9-123.6-151.3 155.4 10.5 27.6 54.3 9 18 A D E S+ 0 0 34 23,-0.3 127,-2.3 -2,-0.3 2,-0.4 0.911 100.7 16.1 -63.8 -47.3 8.5 29.7 51.8 10 19 A V E -ab 136 33A 0 22,-1.7 24,-1.7 125,-0.2 2,-0.5 -0.993 63.1-160.7-135.1 129.2 9.3 27.1 49.0 11 20 A L E -ab 137 34A 0 125,-2.8 127,-3.1 -2,-0.4 2,-0.4 -0.951 13.2-160.1-107.8 127.9 10.5 23.5 49.0 12 21 A V E -ab 138 35A 0 22,-3.2 24,-2.3 -2,-0.5 2,-0.7 -0.877 6.1-149.5-104.4 132.2 11.9 22.2 45.8 13 22 A V E +ab 139 36A 16 125,-3.0 127,-1.8 -2,-0.4 24,-0.2 -0.900 65.0 23.7-104.4 114.5 12.2 18.4 45.1 14 23 A G - 0 0 7 22,-3.1 23,-0.2 -2,-0.7 127,-0.1 0.196 58.3-136.1 110.3 137.3 15.2 17.5 42.9 15 24 A A + 0 0 0 26,-0.2 28,-2.3 4,-0.2 29,-0.2 -0.191 63.5 109.5-121.9 41.1 18.6 19.1 42.0 16 25 A G S > S- 0 0 11 124,-0.5 4,-2.4 27,-0.2 5,-0.3 -0.123 96.6 -61.7 -86.5-164.2 18.8 18.6 38.1 17 26 A F H > S+ 0 0 12 26,-0.4 4,-1.6 1,-0.2 5,-0.2 0.875 137.5 49.5 -48.1 -46.2 18.6 21.5 35.7 18 27 A S H > S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.953 113.3 41.6 -59.8 -58.3 15.0 22.3 36.9 19 28 A G H > S+ 0 0 0 121,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.837 111.7 55.1 -63.2 -37.8 15.5 22.3 40.6 20 29 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.905 110.8 44.1 -66.1 -42.3 18.8 24.3 40.5 21 30 A Y H X S+ 0 0 6 -4,-1.6 4,-3.0 -5,-0.3 5,-0.2 0.847 111.8 53.8 -74.4 -31.1 17.3 27.1 38.5 22 31 A A H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.936 111.1 47.5 -59.3 -48.9 14.2 27.2 40.8 23 32 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.960 115.2 44.9 -56.3 -53.0 16.5 27.4 43.8 24 33 A Y H X S+ 0 0 39 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.940 114.5 46.3 -55.9 -53.0 18.5 30.2 42.2 25 34 A R H X S+ 0 0 49 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.900 111.5 51.6 -66.2 -37.4 15.6 32.3 40.9 26 35 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 -5,-0.2 4,-0.3 0.890 109.1 51.6 -64.8 -40.5 13.7 32.0 44.2 27 36 A R H ><5S+ 0 0 78 -4,-2.2 3,-2.0 -5,-0.3 -2,-0.2 0.975 110.3 48.7 -54.4 -53.4 16.8 33.2 46.0 28 37 A E H 3<5S+ 0 0 112 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.805 105.9 57.3 -58.9 -30.8 17.0 36.2 43.7 29 38 A L T 3<5S- 0 0 59 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.470 120.4-107.5 -77.8 -3.5 13.3 37.0 44.2 30 39 A G T < 5S+ 0 0 56 -3,-2.0 2,-0.2 -4,-0.3 -3,-0.2 0.668 74.1 133.9 87.1 20.1 13.9 37.3 48.0 31 40 A R < - 0 0 66 -5,-2.6 2,-0.4 -22,-0.0 -1,-0.3 -0.637 60.5-113.4-100.0 160.9 12.2 34.1 49.1 32 41 A S + 0 0 53 -2,-0.2 -22,-1.7 2,-0.0 2,-0.3 -0.782 48.5 166.9 -87.6 138.8 13.4 31.4 51.5 33 42 A V E -b 10 0A 16 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.995 18.7-178.2-160.5 138.3 13.9 28.2 49.6 34 43 A H E -b 11 0A 15 -24,-1.7 -22,-3.2 -2,-0.3 2,-0.4 -0.981 15.3-140.0-144.5 150.8 15.5 24.8 50.0 35 44 A V E -bc 12 104A 0 68,-2.9 70,-2.8 -2,-0.3 2,-0.4 -0.911 3.5-158.4-114.0 141.4 16.1 21.7 47.8 36 45 A I E +bc 13 105A 1 -24,-2.3 -22,-3.1 -2,-0.4 2,-0.4 -0.978 18.5 178.6-115.1 130.5 15.8 18.0 48.7 37 46 A E - 0 0 24 68,-2.4 71,-2.4 -2,-0.4 72,-0.1 -0.994 30.0-150.4-138.8 132.7 17.7 15.5 46.4 38 47 A T S S+ 0 0 84 -2,-0.4 -1,-0.1 69,-0.2 71,-0.1 0.901 79.2 75.1 -63.6 -42.8 18.1 11.7 46.5 39 48 A A S S- 0 0 20 2,-0.1 68,-2.1 68,-0.1 69,-0.3 -0.143 89.6-115.1 -72.0 166.4 21.5 11.7 44.9 40 49 A G S S+ 0 0 24 66,-0.2 2,-0.3 67,-0.1 66,-0.1 0.561 93.3 7.3 -75.3 -13.9 24.8 12.7 46.6 41 50 A D S S- 0 0 52 3,-0.1 3,-0.3 65,-0.0 -26,-0.2 -0.924 90.2 -69.3-156.6-179.4 25.3 15.7 44.3 42 51 A V S S+ 0 0 0 -2,-0.3 -26,-0.2 1,-0.2 50,-0.1 -0.242 80.5 78.1 -74.4 162.5 23.7 17.9 41.5 43 52 A G > - 0 0 1 -28,-2.3 3,-1.7 48,-0.1 -26,-0.4 0.076 61.9-148.7 131.9 -18.1 22.9 17.1 37.9 44 53 A G T >> S+ 0 0 18 -3,-0.3 4,-1.9 1,-0.3 3,-1.8 -0.408 84.5 1.5 62.3-128.4 19.6 14.9 37.9 45 54 A V H 3> S+ 0 0 41 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.797 133.4 60.8 -58.7 -28.3 19.7 12.5 34.9 46 55 A W H <4 S+ 0 0 30 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.635 109.0 43.6 -77.1 -12.9 23.2 13.8 34.0 47 56 A Y H <4 S+ 0 0 55 -3,-1.8 -2,-0.2 -6,-0.1 -1,-0.2 0.815 121.8 34.2 -90.9 -47.1 24.4 12.7 37.3 48 57 A W H < S+ 0 0 62 -4,-1.9 2,-0.9 1,-0.2 120,-0.4 0.748 108.6 64.4 -87.5 -20.6 22.8 9.2 37.5 49 58 A N < + 0 0 19 -4,-2.4 -1,-0.2 -5,-0.2 117,-0.1 -0.808 60.0 144.5-108.0 88.8 22.9 8.1 33.8 50 59 A R + 0 0 34 -2,-0.9 -1,-0.1 115,-0.4 116,-0.1 0.031 14.0 140.1-125.7 22.5 26.7 8.0 33.2 51 60 A Y > - 0 0 7 114,-0.5 3,-2.2 1,-0.1 33,-0.2 -0.315 65.5 -83.4 -67.2 154.2 27.3 5.0 30.8 52 61 A P T 3 S+ 0 0 44 0, 0.0 143,-0.2 0, 0.0 144,-0.2 -0.305 117.2 22.9 -61.9 131.3 30.0 5.4 28.0 53 62 A G T 3 S+ 0 0 23 1,-0.3 2,-0.1 -3,-0.1 -2,-0.1 0.302 80.0 150.5 95.1 -10.7 28.5 7.2 25.0 54 63 A A < + 0 0 3 -3,-2.2 30,-2.7 29,-0.1 2,-0.3 -0.389 22.4 161.0 -59.5 128.1 25.7 8.9 26.9 55 64 A R B -I 83 0B 48 28,-0.3 28,-0.2 29,-0.1 276,-0.2 -0.994 42.2-104.2-155.9 146.3 25.1 12.1 25.0 56 65 A C - 0 0 9 26,-2.4 4,-0.1 -2,-0.3 28,-0.0 -0.402 19.0-144.9 -72.7 151.1 22.5 14.8 24.5 57 66 A D S S+ 0 0 21 -2,-0.1 2,-0.4 2,-0.1 -1,-0.1 0.241 79.7 71.1-101.8 13.4 20.4 14.8 21.3 58 67 A I S S- 0 0 16 24,-0.1 24,-0.4 218,-0.1 5,-0.1 -0.965 97.9 -88.4-127.4 141.5 20.2 18.6 21.0 59 68 A E >> - 0 0 57 -2,-0.4 4,-2.5 22,-0.1 3,-1.6 -0.185 31.0-123.1 -54.3 140.6 23.1 20.9 20.1 60 69 A S T 34 S+ 0 0 2 20,-2.5 -1,-0.1 19,-0.3 21,-0.1 0.820 110.2 58.2 -48.9 -43.1 25.3 22.2 22.9 61 70 A I T 34 S+ 0 0 8 19,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.717 115.9 36.1 -68.8 -18.2 24.7 25.9 22.0 62 71 A E T <4 S+ 0 0 5 -3,-1.6 2,-1.7 1,-0.1 -2,-0.2 0.745 105.3 69.2 -97.8 -38.6 20.9 25.3 22.5 63 72 A Y S < S+ 0 0 30 -4,-2.5 2,-0.3 -5,-0.1 -1,-0.1 -0.544 86.3 84.5 -89.0 73.4 21.0 22.9 25.4 64 73 A C S S- 0 0 0 -2,-1.7 2,-0.2 -3,-0.1 8,-0.0 -0.954 83.3 -84.7-160.4 164.1 22.3 25.3 28.1 65 74 A Y - 0 0 2 -2,-0.3 374,-0.1 1,-0.1 373,-0.0 -0.517 27.6-174.4 -73.2 150.3 21.0 27.9 30.5 66 75 A S + 0 0 19 -2,-0.2 -1,-0.1 372,-0.1 171,-0.1 0.325 61.2 93.0-123.3 7.2 20.4 31.5 29.3 67 76 A F S S+ 0 0 43 1,-0.1 2,-0.5 2,-0.0 -1,-0.0 0.664 82.0 58.5 -80.7 -16.9 19.5 33.3 32.6 68 77 A S > - 0 0 13 1,-0.1 4,-2.2 2,-0.0 5,-0.1 -0.945 60.4-163.4-119.7 117.6 23.1 34.3 33.4 69 78 A E H > S+ 0 0 96 -2,-0.5 4,-1.9 2,-0.2 5,-0.2 0.899 95.4 54.2 -62.0 -37.3 25.1 36.5 31.0 70 79 A E H > S+ 0 0 124 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.922 107.5 50.2 -65.6 -42.9 28.3 35.5 32.8 71 80 A V H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.945 109.3 51.4 -55.2 -49.0 27.6 31.8 32.4 72 81 A L H < S+ 0 0 9 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.890 116.8 39.7 -56.6 -39.8 26.9 32.3 28.7 73 82 A Q H < S+ 0 0 84 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.803 117.2 48.0 -81.6 -32.7 30.3 34.1 28.2 74 83 A E H < S+ 0 0 59 -4,-2.7 2,-0.3 -5,-0.2 -2,-0.2 0.801 92.2 84.0 -80.3 -31.1 32.4 31.9 30.5 75 84 A W < - 0 0 44 -4,-2.2 2,-0.7 -5,-0.2 15,-0.0 -0.617 57.5-161.0 -86.5 135.3 31.4 28.4 29.3 76 85 A N - 0 0 105 -2,-0.3 2,-0.1 2,-0.0 -3,-0.1 -0.875 7.0-155.6-114.0 97.0 33.2 26.8 26.3 77 86 A W - 0 0 12 -2,-0.7 149,-0.1 1,-0.1 144,-0.1 -0.473 4.1-161.0 -66.1 142.0 31.2 23.9 24.8 78 87 A T + 0 0 79 -2,-0.1 143,-2.5 142,-0.1 2,-0.3 0.744 60.6 34.1-103.6 -23.2 33.6 21.6 22.9 79 88 A E B S-J 220 0C 57 141,-0.3 -19,-0.3 1,-0.1 3,-0.1 -0.866 78.4-109.8-133.0 163.1 31.4 19.6 20.6 80 89 A R S S+ 0 0 45 139,-2.6 -20,-2.5 -2,-0.3 2,-0.5 0.914 114.9 25.5 -56.2 -46.4 28.3 19.9 18.4 81 90 A Y S S- 0 0 4 -22,-0.3 -1,-0.2 138,-0.2 -22,-0.1 -0.991 95.2-127.8-121.4 122.7 26.3 17.5 20.8 82 91 A A - 0 0 2 -2,-0.5 -26,-2.4 -24,-0.4 -24,-0.1 -0.436 15.7-125.3 -81.3 142.1 27.7 17.5 24.4 83 92 A S B > -I 55 0B 20 -28,-0.2 4,-2.6 -2,-0.1 -28,-0.3 -0.375 27.7-108.1 -74.9 157.2 28.6 14.2 26.2 84 93 A Q H > S+ 0 0 12 -30,-2.7 4,-2.9 1,-0.2 5,-0.2 0.902 119.4 53.8 -50.2 -47.6 27.2 13.4 29.6 85 94 A P H > S+ 0 0 60 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.897 110.6 46.9 -61.2 -36.5 30.5 14.1 31.4 86 95 A E H > S+ 0 0 4 2,-0.2 4,-2.1 -3,-0.2 -2,-0.2 0.895 111.9 49.6 -70.3 -42.1 30.7 17.5 29.8 87 96 A I H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.933 110.1 51.4 -57.5 -45.3 27.1 18.4 30.7 88 97 A L H X S+ 0 0 31 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.898 107.8 51.8 -60.8 -41.0 27.7 17.3 34.3 89 98 A R H X S+ 0 0 142 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.910 109.5 51.7 -59.2 -41.4 30.8 19.6 34.5 90 99 A Y H X S+ 0 0 3 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.940 110.9 45.8 -61.6 -46.1 28.6 22.4 33.2 91 100 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.909 112.2 50.8 -65.4 -43.8 25.9 21.9 35.9 92 101 A N H X S+ 0 0 35 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.867 109.3 53.0 -60.0 -36.4 28.6 21.5 38.6 93 102 A F H X S+ 0 0 52 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.913 108.4 48.9 -61.2 -46.5 30.1 24.8 37.4 94 103 A V H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.953 113.8 46.4 -60.7 -48.2 26.7 26.6 37.7 95 104 A A H <>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 6,-0.5 0.838 114.1 47.7 -62.3 -37.3 26.2 25.2 41.2 96 105 A D H ><5S+ 0 0 105 -4,-2.1 3,-0.8 3,-0.2 -1,-0.2 0.900 110.5 52.4 -68.2 -44.7 29.8 26.2 42.3 97 106 A K H 3<5S+ 0 0 81 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.897 117.6 35.5 -60.3 -43.2 29.5 29.7 40.8 98 107 A F T 3<5S- 0 0 42 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.230 104.7-121.8-101.0 12.4 26.2 30.6 42.6 99 108 A D T X 5 + 0 0 105 -3,-0.8 3,-0.7 -4,-0.2 -3,-0.2 0.875 55.0 156.8 54.2 46.5 26.9 28.7 45.9 100 109 A L G > < + 0 0 1 -5,-2.2 3,-2.0 1,-0.2 -4,-0.1 0.774 53.8 72.2 -79.0 -24.9 23.8 26.6 45.4 101 110 A R G > S+ 0 0 63 -6,-0.5 3,-1.6 1,-0.3 -1,-0.2 0.706 82.2 71.7 -68.0 -20.7 24.7 23.6 47.5 102 111 A S G < S+ 0 0 35 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.642 101.5 48.6 -59.9 -15.6 24.2 25.6 50.7 103 112 A G G < S+ 0 0 3 -3,-2.0 -68,-2.9 -4,-0.1 2,-0.4 0.228 100.5 84.1-110.9 15.4 20.5 25.4 49.8 104 113 A I E < -c 35 0A 2 -3,-1.6 2,-0.6 -70,-0.2 -68,-0.2 -0.963 56.9-157.0-126.0 133.8 20.4 21.6 49.1 105 114 A T E -c 36 0A 2 -70,-2.8 -68,-2.4 -2,-0.4 3,-0.3 -0.952 26.6-165.1-102.6 113.3 20.0 18.5 51.3 106 115 A F + 0 0 31 -2,-0.6 -66,-0.2 -70,-0.2 -68,-0.2 -0.268 62.1 37.5 -90.0 175.4 21.5 15.5 49.5 107 116 A H S S+ 0 0 132 -68,-2.1 2,-0.4 1,-0.2 -69,-0.2 0.738 94.5 114.5 56.7 29.7 21.2 11.8 50.1 108 117 A T - 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0 0 16 -3,-0.3 4,-2.3 3,-0.1 -1,-0.2 0.083 28.2-100.7 110.7 142.1 4.6 23.9 19.9 512 521 A F H > S+ 0 0 3 -268,-2.8 4,-2.9 2,-0.2 5,-0.2 0.911 117.5 50.3 -62.7 -50.6 6.7 25.7 22.5 513 522 A H H > S+ 0 0 57 -270,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.901 112.8 48.2 -56.5 -42.8 6.1 29.3 21.3 514 523 A R H > S+ 0 0 159 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.923 112.1 48.9 -59.4 -48.5 2.3 28.7 21.2 515 524 A Y H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.916 109.1 53.0 -59.5 -42.5 2.4 27.2 24.7 516 525 A R H X S+ 0 0 34 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.900 107.0 52.1 -62.3 -40.9 4.5 30.2 26.0 517 526 A Q H X S+ 0 0 86 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.927 108.4 51.6 -60.6 -45.0 2.0 32.7 24.6 518 527 A I H X S+ 0 0 44 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.961 112.6 44.9 -53.4 -54.9 -0.8 30.9 26.4 519 528 A C H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.862 111.9 52.1 -60.1 -39.1 1.1 31.0 29.7 520 529 A D H X S+ 0 0 83 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.889 109.5 49.6 -67.3 -38.7 2.0 34.7 29.3 521 530 A E H X S+ 0 0 104 -4,-2.4 4,-1.8 2,-0.2 7,-0.2 0.908 109.5 52.0 -66.0 -41.0 -1.6 35.6 28.6 522 531 A V H <>S+ 0 0 6 -4,-2.2 5,-2.1 -5,-0.2 6,-1.2 0.929 113.1 43.9 -58.7 -46.5 -2.7 33.7 31.8 523 532 A A H ><5S+ 0 0 30 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.916 111.2 54.3 -67.3 -38.9 -0.1 35.6 33.9 524 533 A A H 3<5S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.802 104.4 55.5 -67.6 -28.3 -1.0 39.0 32.3 525 534 A K T 3<5S- 0 0 126 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.009 130.6 -92.4 -90.4 27.3 -4.6 38.5 33.2 526 535 A G T < 5S- 0 0 31 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.2 0.783 82.7 -51.1 69.6 30.3 -3.8 38.1 36.9 527 536 A Y S >