==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(OXYGENASE) 04-JUN-91 3CP4 . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR R.RAAG,T.L.POULOS . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17247.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 71.9 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 . 34 8.4 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 . 69 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 37.3 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 2 0 0 2 1 1 1 1 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 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 . 2 3 4 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 0 191 0, 0.0 49,-0.5 0, 0.0 50,-0.3 0.000 360.0 360.0 360.0 84.2 46.5 25.4 32.7 2 11 A L B -A 49 0A 73 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.818 360.0-127.2-115.5 149.9 44.5 23.7 30.1 3 12 A A - 0 0 37 45,-2.1 0, 0.0 -2,-0.3 0, 0.0 -0.824 40.1 -83.7-102.6 140.5 40.7 23.4 29.8 4 13 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.020 52.3-100.2 -33.4 138.5 38.8 20.2 29.3 5 14 A L - 0 0 61 1,-0.1 6,-0.1 -3,-0.1 47,-0.0 -0.573 40.0-119.0 -72.1 125.4 38.6 19.0 25.7 6 15 A P > - 0 0 28 0, 0.0 3,-2.9 0, 0.0 -1,-0.1 -0.350 27.3-105.6 -66.8 144.9 35.2 19.9 24.2 7 16 A P T 3 S+ 0 0 129 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.760 114.8 55.1 -33.0 -52.3 33.0 17.0 23.0 8 17 A H T 3 S+ 0 0 42 2,-0.1 294,-0.2 1,-0.1 -3,-0.0 0.573 84.1 99.1 -71.0 -10.7 33.6 17.5 19.3 9 18 A V < - 0 0 5 -3,-2.9 2,-0.4 292,-0.1 5,-0.1 -0.758 68.5-140.1 -90.2 116.4 37.4 17.4 19.4 10 19 A P > - 0 0 48 0, 0.0 3,-3.1 0, 0.0 4,-0.2 -0.519 20.5-134.6 -67.0 115.5 39.0 14.1 18.4 11 20 A E G > S+ 0 0 165 -2,-0.4 3,-0.6 1,-0.3 -2,-0.0 0.564 103.5 67.4 -56.9 -12.1 41.8 13.9 21.0 12 21 A H G 3 S+ 0 0 146 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.428 93.4 60.1 -80.2 -10.1 44.2 12.9 18.2 13 22 A L G < S+ 0 0 21 -3,-3.1 33,-2.6 32,-0.1 -1,-0.2 0.446 85.5 111.0 -95.0 -1.4 43.6 16.4 16.8 14 23 A V B < +b 46 0B 31 -3,-0.6 33,-0.2 -4,-0.2 2,-0.1 -0.291 31.3 157.6 -74.9 151.4 45.0 17.8 20.1 15 24 A F - 0 0 55 31,-1.5 2,-1.2 2,-0.1 30,-0.1 -0.437 37.0-135.4-179.0 86.0 48.4 19.5 20.2 16 25 A D + 0 0 64 31,-0.1 2,-0.3 -2,-0.1 31,-0.1 -0.405 35.8 165.9 -60.1 89.9 48.9 21.9 23.1 17 26 A F - 0 0 11 -2,-1.2 32,-0.5 32,-0.1 2,-0.5 -0.757 24.9-152.8-111.7 139.0 50.4 25.0 21.7 18 27 A D > - 0 0 51 -2,-0.3 3,-3.1 1,-0.1 32,-0.1 -0.755 4.9-166.8-122.3 93.2 50.6 28.2 23.7 19 28 A M T 3 S+ 0 0 0 -2,-0.5 -1,-0.1 1,-0.3 14,-0.0 0.691 91.1 54.3 -50.0 -29.2 50.6 31.3 21.4 20 29 A Y T 3 S+ 0 0 43 1,-0.2 -1,-0.3 -3,-0.1 364,-0.1 0.245 129.5 10.6 -92.3 9.5 51.7 33.4 24.5 21 30 A N S < S- 0 0 102 -3,-3.1 -1,-0.2 362,-0.1 -2,-0.2 0.094 74.6-170.8 174.2 57.6 54.7 31.2 25.3 22 31 A P > - 0 0 3 0, 0.0 3,-0.8 0, 0.0 11,-0.1 -0.101 34.0-112.6 -54.3 151.6 55.6 28.6 22.7 23 32 A S T 3 S+ 0 0 117 1,-0.2 2,-0.6 9,-0.2 3,-0.5 0.900 105.2 47.0 -56.4 -61.0 58.2 26.1 23.8 24 33 A N T > + 0 0 85 8,-0.3 3,-1.0 1,-0.2 -1,-0.2 -0.163 65.5 130.2 -78.4 28.5 61.4 26.9 21.7 25 34 A L G X + 0 0 31 -3,-0.8 3,-3.8 -2,-0.6 357,-0.4 0.929 67.6 65.1 -55.8 -35.0 61.3 30.6 22.2 26 35 A S G 3 S+ 0 0 134 -3,-0.5 -1,-0.3 1,-0.3 3,-0.1 0.826 102.8 47.4 -55.8 -36.9 64.9 30.4 23.2 27 36 A A G < S- 0 0 58 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.265 133.2 -77.0 -79.9 -3.3 65.7 29.3 19.6 28 37 A G <> - 0 0 4 -3,-3.8 4,-2.1 -4,-0.2 -1,-0.3 0.070 34.8-100.2 111.9 144.8 63.5 32.1 18.2 29 38 A V H > S+ 0 0 0 2,-0.3 4,-1.9 1,-0.2 5,-0.3 0.952 117.7 45.7 -71.1 -51.8 59.8 32.9 17.7 30 39 A Q H > S+ 0 0 1 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.940 118.2 47.3 -56.4 -44.8 59.2 32.0 14.1 31 40 A E H 4 S+ 0 0 61 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.894 107.4 59.1 -60.8 -34.5 61.2 28.8 14.8 32 41 A A H >< S+ 0 0 1 -4,-2.1 3,-0.7 1,-0.2 -8,-0.3 0.911 113.0 36.0 -56.2 -50.5 59.0 28.5 18.0 33 42 A W H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.653 98.9 77.7 -72.9 -37.2 55.8 28.4 15.9 34 43 A A G >< S+ 0 0 16 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.481 75.1 81.4 -56.0 -12.4 57.3 26.4 13.0 35 44 A V G X S+ 0 0 38 -3,-0.7 3,-3.6 -4,-0.3 -1,-0.3 0.931 78.4 69.7 -53.4 -46.6 56.9 23.3 15.3 36 45 A L G < S+ 0 0 0 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.553 96.9 52.9 -49.9 -16.3 53.2 23.3 14.1 37 46 A Q G < S+ 0 0 6 -3,-1.2 -1,-0.3 -4,-0.1 -2,-0.2 0.381 77.6 122.0-106.3 2.0 54.5 22.3 10.7 38 47 A E S X S- 0 0 110 -3,-3.6 3,-2.0 -4,-0.2 -3,-0.0 -0.149 79.9-105.5 -56.9 159.0 56.6 19.2 11.7 39 48 A S T 3 S+ 0 0 129 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.798 119.5 63.2 -51.9 -38.5 55.5 16.0 10.0 40 49 A N T 3 S+ 0 0 110 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.207 88.6 90.0 -77.5 4.8 54.0 14.8 13.3 41 50 A V S < S- 0 0 11 -3,-2.0 -26,-0.1 -4,-0.1 4,-0.1 -0.936 76.1-124.2-112.7 130.2 51.4 17.7 13.3 42 51 A P - 0 0 43 0, 0.0 15,-0.2 0, 0.0 -4,-0.1 -0.301 24.9-119.3 -59.2 140.5 47.9 17.6 11.8 43 52 A D S S+ 0 0 57 1,-0.2 14,-2.5 13,-0.1 2,-0.4 0.829 108.8 29.0 -41.7 -44.9 47.1 20.3 9.2 44 53 A L E S+ C 0 56B 6 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.998 82.3 167.4-125.2 126.7 44.4 21.4 11.6 45 54 A V E - C 0 55B 2 10,-1.8 10,-1.3 -2,-0.4 2,-0.4 -0.932 28.7-128.1-143.2 159.2 44.8 20.8 15.3 46 55 A W E -bC 14 54B 12 -33,-2.6 -31,-1.5 -2,-0.3 2,-0.4 -0.955 17.4-156.6-117.7 134.5 43.2 21.9 18.6 47 56 A T E - C 0 53B 0 6,-2.6 6,-2.3 -2,-0.4 -31,-0.1 -0.915 11.1-152.8-119.4 143.8 45.0 23.4 21.5 48 57 A R + 0 0 90 -2,-0.4 -45,-2.1 4,-0.3 3,-0.4 0.169 66.5 94.2 -89.0 -2.3 43.8 23.4 25.1 49 58 A C B > S+A 2 0A 10 -32,-0.5 3,-1.0 1,-0.2 -47,-0.1 -0.640 80.0 27.9-100.4 152.3 45.6 26.5 26.2 50 59 A N T 3 S- 0 0 45 -49,-0.5 31,-0.3 1,-0.3 -1,-0.2 0.913 145.1 -52.3 63.4 36.3 44.2 30.1 26.3 51 60 A G T 3 S- 0 0 60 -3,-0.4 -1,-0.3 -50,-0.3 -2,-0.2 0.514 99.4 -65.9 74.2 21.3 40.9 28.2 26.8 52 61 A G < + 0 0 12 -3,-1.0 2,-0.3 1,-0.1 256,-0.3 0.626 66.3 161.1 77.0 125.1 41.0 25.8 23.8 53 62 A H E -C 47 0B 2 -6,-2.3 -6,-2.6 254,-0.1 256,-0.2 -0.921 39.3-102.4-168.7 149.7 40.9 26.8 20.2 54 63 A W E -Cd 46 309B 0 254,-2.2 256,-1.9 -2,-0.3 2,-0.3 -0.138 28.8-166.7 -66.2 164.7 41.6 25.5 16.7 55 64 A I E -Cd 45 310B 1 -10,-1.3 -10,-1.8 254,-0.2 2,-0.5 -0.782 13.0-144.9-151.4 123.7 44.8 26.7 15.0 56 65 A A E -C 44 0B 0 254,-2.1 -12,-0.2 -2,-0.3 -13,-0.1 -0.902 14.1-166.9 -97.2 129.1 45.1 26.0 11.2 57 66 A T + 0 0 0 -14,-2.5 2,-0.3 -2,-0.5 -13,-0.1 0.269 49.3 71.1-102.3 1.9 48.8 25.3 10.4 58 67 A R S >> S- 0 0 9 -15,-0.3 4,-1.5 1,-0.1 3,-0.8 -0.917 77.9-113.5-130.4 159.9 49.3 25.4 6.6 59 68 A G H 3> S+ 0 0 0 -2,-0.3 4,-1.9 256,-0.3 5,-0.2 0.850 111.8 49.4 -51.7 -49.9 49.5 28.0 3.9 60 69 A Q H 3> S+ 0 0 101 2,-0.2 4,-1.4 3,-0.2 -1,-0.3 0.759 107.2 50.1 -72.1 -35.8 46.4 26.8 2.1 61 70 A L H X> S+ 0 0 2 -3,-0.8 4,-3.0 2,-0.2 3,-1.0 0.989 110.8 49.7 -69.8 -52.6 43.9 26.5 5.0 62 71 A I H 3X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.3 -2,-0.2 0.820 112.1 48.5 -48.9 -47.3 44.7 30.0 6.3 63 72 A R H 3X S+ 0 0 54 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.3 0.866 116.1 45.2 -60.4 -42.4 44.2 31.4 2.8 64 73 A E H > S- 0 0 31 0, 0.0 4,-1.5 0, 0.0 3,-1.5 0.519 92.5-129.3 -81.4 154.1 41.4 34.3 24.1 81 90 A R H 3> S+ 0 0 90 -31,-0.3 4,-3.3 1,-0.3 -3,-0.2 0.611 99.2 59.6 -27.4 -58.6 37.7 34.9 23.5 82 91 A E H 3> S+ 0 0 119 2,-0.2 4,-3.4 1,-0.2 -1,-0.3 0.825 111.3 40.7 -52.3 -46.2 37.1 37.7 26.0 83 92 A A H <> S+ 0 0 14 -3,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.984 114.6 51.7 -63.9 -60.2 39.7 40.0 24.3 84 93 A G H >< S+ 0 0 0 -4,-1.5 3,-0.7 -6,-1.2 -2,-0.2 0.890 118.7 39.1 -39.2 -53.2 38.5 39.0 20.8 85 94 A E H 3< S+ 0 0 118 -4,-3.3 -1,-0.3 -7,-0.3 -2,-0.2 0.915 115.1 51.3 -65.4 -49.3 35.0 39.8 21.9 86 95 A A H 3< S+ 0 0 21 -4,-3.4 2,-0.5 -5,-0.2 -1,-0.2 0.456 94.1 93.1 -71.0 -2.2 36.1 42.9 23.9 87 96 A Y << + 0 0 11 -4,-1.4 -9,-0.1 -3,-0.7 98,-0.0 -0.840 42.9 164.2 -93.3 128.3 37.9 44.1 20.8 88 97 A D + 0 0 41 -2,-0.5 -1,-0.1 -12,-0.1 143,-0.1 0.154 15.6 147.8-134.1 19.8 35.9 46.4 18.6 89 98 A F > - 0 0 3 2,-0.1 4,-2.6 145,-0.1 143,-0.2 -0.177 45.5-104.0 -56.9 144.1 38.4 48.1 16.2 90 99 A I T 4 S+ 0 0 1 141,-1.4 145,-0.3 1,-0.3 144,-0.1 -0.934 95.2 12.7-117.5 147.6 37.0 48.9 12.8 91 100 A P T >4 S+ 0 0 5 0, 0.0 3,-0.9 0, 0.0 -1,-0.3 -0.978 123.1 66.4 -78.5 4.3 37.3 47.8 10.1 92 101 A T T 34 S+ 0 0 35 1,-0.3 2,-2.5 140,-0.1 -2,-0.2 0.946 96.4 47.5 -55.6 -64.9 38.8 44.8 11.8 93 102 A S T 3< S+ 0 0 18 -4,-2.6 2,-0.3 -18,-0.1 -1,-0.3 -0.152 102.6 86.6 -72.9 51.9 36.1 43.3 13.9 94 103 A M < - 0 0 16 -2,-2.5 -6,-0.0 -3,-0.9 -1,-0.0 -0.951 62.6-147.1-150.1 130.4 33.7 43.5 10.9 95 104 A D > - 0 0 31 -2,-0.3 4,-1.4 1,-0.1 3,-0.4 -0.436 43.2 -67.8 -92.7 163.6 32.8 41.2 7.8 96 105 A P T 4 S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.459 108.0 44.1 -76.7 160.2 31.8 42.6 4.4 97 106 A P T > S+ 0 0 110 0, 0.0 4,-0.5 0, 0.0 3,-0.1 -0.994 124.4 45.8 -78.5 -7.0 29.6 44.1 3.0 98 107 A E H >> S+ 0 0 121 -3,-0.4 3,-1.4 1,-0.2 4,-0.7 0.969 110.4 55.7 -54.0 -56.2 29.6 46.3 6.1 99 108 A Q H >X S+ 0 0 6 -4,-1.4 4,-2.7 1,-0.3 3,-0.7 0.809 85.7 78.2 -44.3 -52.2 33.4 46.6 6.1 100 109 A R H 3> S+ 0 0 154 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.711 98.9 43.6 -32.0 -46.4 33.8 47.9 2.6 101 110 A Q H X S+ 0 0 5 -4,-1.4 4,-1.1 2,-0.2 3,-0.6 0.884 109.1 49.0 -70.8 -47.5 37.9 55.6 4.8 106 115 A A H >X S+ 0 0 1 -4,-1.5 4,-1.8 1,-0.3 3,-0.7 0.910 107.7 57.0 -59.4 -37.9 41.0 54.1 6.6 107 116 A N H 3X S+ 0 0 79 -4,-2.9 4,-0.8 1,-0.3 -1,-0.3 0.779 99.3 61.2 -63.4 -32.1 42.5 53.7 3.1 108 117 A Q H << S+ 0 0 110 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.878 110.1 39.5 -57.6 -48.2 41.9 57.5 2.7 109 118 A V H << S+ 0 0 8 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.777 131.4 18.6 -71.3 -47.5 44.2 58.2 5.7 110 119 A V H < S+ 0 0 12 -4,-1.8 243,-0.4 100,-0.1 242,-0.2 0.034 98.0 116.8-101.8 -7.7 47.1 55.7 5.3 111 120 A G S X S- 0 0 0 -4,-0.8 4,-1.3 -5,-0.2 -3,-0.1 0.179 80.2 -71.7 -63.8-162.0 46.8 54.6 1.7 112 121 A M H >> S+ 0 0 93 1,-0.2 4,-1.5 2,-0.2 3,-0.9 0.958 126.6 45.7 -56.7 -68.3 49.0 54.9 -1.4 113 122 A P H 3> S+ 0 0 101 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.689 109.3 56.5 -57.8 -22.4 48.7 58.6 -2.1 114 123 A V H 3> S+ 0 0 21 2,-0.2 4,-1.8 1,-0.1 -2,-0.2 0.878 104.2 57.0 -71.9 -36.8 49.3 59.5 1.5 115 124 A V H XX S+ 0 0 8 -4,-1.3 4,-1.5 -3,-0.9 3,-0.6 0.956 103.7 48.3 -63.7 -50.7 52.5 57.5 1.3 116 125 A D H >< S+ 0 0 111 -4,-1.5 3,-0.7 1,-0.3 4,-0.4 0.916 109.1 57.1 -54.1 -44.1 54.0 59.6 -1.6 117 126 A K H 3< S+ 0 0 153 -4,-1.4 -1,-0.3 1,-0.2 3,-0.2 0.883 113.9 38.4 -47.4 -52.3 53.1 62.7 0.4 118 127 A L H XX S+ 0 0 17 -4,-1.8 3,-1.4 -3,-0.6 4,-1.3 0.533 83.9 100.9 -80.1 -13.5 55.1 61.5 3.3 119 128 A E H XX S+ 0 0 49 -4,-1.5 4,-2.3 -3,-0.7 3,-1.5 0.844 81.7 50.0 -42.0 -58.7 58.2 59.9 1.7 120 129 A N H 3> S+ 0 0 131 -4,-0.4 4,-2.7 1,-0.3 -1,-0.3 0.788 109.5 50.0 -49.8 -42.1 60.6 62.8 2.2 121 130 A R H <> S+ 0 0 122 -3,-1.4 4,-0.8 2,-0.2 -1,-0.3 0.719 110.9 53.8 -70.0 -26.9 59.8 63.2 6.0 122 131 A I H XX S+ 0 0 1 -3,-1.5 4,-2.0 -4,-1.3 3,-1.2 0.984 114.3 37.4 -67.0 -55.6 60.4 59.4 6.1 123 132 A Q H 3X S+ 0 0 55 -4,-2.3 4,-2.8 1,-0.3 5,-0.3 0.927 113.8 57.7 -62.2 -44.9 63.9 59.6 4.5 124 133 A E H 3X S+ 0 0 106 -4,-2.7 4,-1.3 1,-0.3 -1,-0.3 0.743 113.9 38.7 -52.1 -43.8 64.6 62.8 6.3 125 134 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 -3,-0.2 3,-1.4 0.993 113.1 40.2 -63.7 -53.7 65.7 57.9 8.5 127 136 A C H >X S+ 0 0 31 -4,-2.8 4,-2.6 1,-0.3 3,-0.8 0.929 114.3 52.1 -57.1 -56.8 68.9 59.8 7.8 128 137 A S H 3< S+ 0 0 66 -4,-1.3 4,-0.4 -5,-0.3 -1,-0.3 0.653 111.5 45.4 -49.3 -39.8 68.7 62.0 10.9 129 138 A L H < S+ 0 0 43 -4,-3.1 3,-2.0 1,-0.3 -2,-0.1 0.700 87.0 45.6 -30.5 -71.9 76.5 56.5 13.9 135 144 A P G 3 S+ 0 0 75 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.579 100.7 66.3 -63.9 -16.1 79.4 57.8 15.9 136 145 A Q G < S- 0 0 113 -3,-2.4 -2,-0.2 -4,-0.2 261,-0.1 0.591 88.3-145.1 -76.6 -17.1 78.6 56.1 19.1 137 146 A G S < S+ 0 0 9 -3,-2.0 260,-2.2 -4,-0.5 2,-0.2 0.716 73.9 65.6 54.4 29.2 79.3 52.6 17.6 138 147 A Q E +G 396 0C 127 -5,-0.4 2,-0.3 258,-0.3 258,-0.2 -0.802 53.8 164.7-173.2 123.0 76.5 51.1 19.7 139 148 A C E -G 395 0C 10 256,-0.7 256,-1.5 -2,-0.2 2,-0.5 -0.798 42.6-119.6-121.0-162.4 72.7 51.5 19.9 140 149 A N E > -G 394 0C 36 -2,-0.3 4,-3.8 254,-0.2 5,-0.3 -0.853 32.5-158.9-130.3 54.1 69.8 49.6 21.5 141 150 A F H >>S+ 0 0 0 252,-2.1 5,-2.7 -2,-0.5 4,-2.4 0.790 85.8 51.3 -26.4 -42.3 68.1 49.0 18.1 142 151 A T H >4>S+ 0 0 14 1,-0.3 5,-2.6 2,-0.2 3,-0.6 0.939 125.9 23.0 -63.0 -60.0 64.8 48.4 19.7 143 152 A E H 345S+ 0 0 116 1,-0.2 -1,-0.3 3,-0.2 -2,-0.2 0.810 125.5 55.4 -73.1 -32.2 64.7 51.6 21.8 144 153 A D H 3<5S- 0 0 63 -4,-3.8 -1,-0.2 3,-0.1 -2,-0.2 0.624 133.6 -15.0 -74.1 -30.9 67.2 53.4 19.6 145 154 A Y T S+ 0 0 35 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.782 105.5 60.4 -43.2 -65.7 61.4 56.0 17.5 149 158 A F H X S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.2 -3,-0.1 0.803 114.0 28.8 -32.7 -75.3 61.4 55.6 13.7 150 159 A P H >> S+ 0 0 1 0, 0.0 4,-1.0 0, 0.0 3,-0.7 0.853 116.7 58.1 -63.2 -45.7 57.9 54.5 12.9 151 160 A I H >X S+ 0 0 2 -4,-1.6 4,-3.5 1,-0.3 3,-1.2 0.887 102.6 52.3 -53.3 -53.5 56.1 56.1 15.9 152 161 A R H 3X S+ 0 0 83 -4,-2.2 4,-1.3 1,-0.3 -1,-0.3 0.762 107.5 53.8 -57.3 -22.3 57.2 59.6 15.1 153 162 A I H S+ 0 0 9 -4,-3.5 5,-1.0 1,-0.3 4,-0.3 0.877 111.8 49.4 -58.2 -34.4 52.5 61.0 15.4 156 165 A L H <5S+ 0 0 76 -4,-1.3 3,-0.3 -5,-0.3 -1,-0.3 0.884 114.2 46.0 -68.0 -40.2 53.3 63.1 12.4 157 166 A L H <5S+ 0 0 15 -4,-1.1 53,-1.1 -3,-0.4 -2,-0.2 0.985 118.7 37.4 -66.2 -62.5 50.4 61.5 10.6 158 167 A A T <5S- 0 0 0 -4,-2.8 -1,-0.2 51,-0.2 -2,-0.2 0.206 104.2-125.0 -75.4 2.1 47.8 61.7 13.3 159 168 A G T 5 + 0 0 42 -4,-0.3 -3,-0.2 -3,-0.3 -4,-0.1 0.788 60.3 144.2 47.5 46.3 48.9 65.1 14.5 160 169 A L < - 0 0 13 -5,-1.0 2,-0.3 -6,-0.2 -1,-0.2 -0.715 54.5 -86.2-112.3 163.9 49.4 63.8 18.1 161 170 A P >> - 0 0 50 0, 0.0 3,-2.2 0, 0.0 4,-0.7 -0.422 18.5-145.6 -72.5 128.8 51.9 64.6 20.9 162 171 A E G >4 S+ 0 0 85 -2,-0.3 3,-2.1 1,-0.3 -7,-0.0 0.914 101.5 68.6 -51.3 -41.7 55.2 62.8 21.1 163 172 A E G 34 S+ 0 0 149 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.874 92.6 60.2 -46.3 -37.3 54.9 63.1 24.8 164 173 A D G X> S+ 0 0 42 -3,-2.2 3,-2.8 1,-0.2 4,-1.5 0.822 81.9 92.1 -63.6 -31.3 52.0 60.7 24.4 165 174 A I H S+ 0 0 95 0, 0.0 4,-0.6 0, 0.0 -1,-0.3 0.643 115.0 47.5 -61.0 -19.9 55.3 56.0 26.0 167 176 A H H X> S+ 0 0 100 -3,-2.8 4,-2.4 -4,-0.2 3,-0.8 0.945 112.6 42.6 -88.6 -56.8 51.7 55.7 27.3 168 177 A L H 3X S+ 0 0 1 -4,-1.5 4,-2.6 1,-0.3 -3,-0.1 0.733 113.7 57.7 -55.2 -34.6 49.8 54.7 24.1 169 178 A K H 3X S+ 0 0 14 -4,-1.9 4,-3.6 -5,-0.4 -1,-0.3 0.829 103.7 48.5 -65.8 -41.8 52.7 52.3 23.5 170 179 A Y H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 3,-0.8 0.993 112.7 50.2 -63.6 -48.0 49.4 49.1 22.5 173 182 A D H 3X S+ 0 0 40 -4,-3.6 4,-3.7 1,-0.3 3,-0.4 0.838 105.7 52.0 -55.9 -47.2 51.8 46.5 23.9 174 183 A Q H 3< S+ 0 0 15 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.870 108.9 56.5 -60.4 -33.6 49.5 45.0 26.5 175 184 A M H << S+ 0 0 4 -4,-1.5 -1,-0.2 -3,-0.8 -2,-0.2 0.802 122.1 21.0 -64.6 -45.8 47.0 44.6 23.7 176 185 A T H < S+ 0 0 4 -4,-1.4 210,-2.3 -3,-0.4 211,-0.5 0.755 135.0 37.6 -92.5 -36.2 49.2 42.5 21.4 177 186 A R S < S- 0 0 24 -4,-3.7 -2,-0.2 -5,-0.3 -1,-0.2 -0.515 82.6-155.5-123.6 67.4 51.6 41.2 24.0 178 187 A P + 0 0 52 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.145 19.1 174.8 -49.1 120.4 49.6 40.5 27.1 179 188 A D - 0 0 119 3,-0.2 4,-0.1 -5,-0.0 -5,-0.0 0.848 50.5-112.0 -86.5 -57.0 51.9 40.7 30.2 180 189 A G S S+ 0 0 68 2,-0.3 3,-0.2 -6,-0.1 -6,-0.0 0.276 92.2 108.1 131.7 0.8 49.1 40.3 32.7 181 190 A S S S+ 0 0 66 1,-0.3 2,-0.3 -7,-0.0 -7,-0.0 0.827 93.2 10.4 -68.7 -33.2 49.4 43.8 34.1 182 191 A M S S- 0 0 36 -8,-0.1 -2,-0.3 -11,-0.0 -1,-0.3 -0.990 77.4-124.0-154.5 135.4 46.1 44.7 32.4 183 192 A T > - 0 0 90 -2,-0.3 4,-2.4 -3,-0.2 3,-0.2 -0.389 35.7-104.2 -73.7 159.8 43.4 42.7 30.6 184 193 A F H > S+ 0 0 21 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.894 120.2 50.5 -53.4 -53.4 42.4 43.5 27.0 185 194 A A H > S+ 0 0 46 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.866 112.7 46.1 -56.6 -42.6 39.1 45.3 28.0 186 195 A E H > S+ 0 0 124 2,-0.2 4,-1.8 -3,-0.2 -1,-0.3 0.897 113.5 51.9 -61.5 -40.9 40.9 47.4 30.5 187 196 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.3 5,-0.3 0.975 107.4 50.2 -60.8 -53.2 43.6 48.1 27.8 188 197 A K H X S+ 0 0 16 -4,-3.1 4,-1.2 1,-0.2 -1,-0.3 0.712 108.1 57.7 -56.3 -32.9 41.0 49.2 25.3 189 198 A E H >X S+ 0 0 85 -4,-1.3 4,-2.3 -5,-0.3 3,-0.6 0.996 106.5 41.5 -67.4 -57.7 39.5 51.5 27.8 190 199 A A H 3X S+ 0 0 31 -4,-1.8 4,-1.0 2,-0.3 -2,-0.2 0.753 111.8 56.2 -61.1 -35.3 42.5 53.7 28.7 191 200 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.3 0.898 113.4 44.4 -62.2 -34.9 43.5 53.9 25.0 192 201 A Y H S+ 0 0 60 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.877 116.0 53.0 -51.8 -40.2 38.8 64.0 24.0 198 207 A I H X S+ 0 0 19 -4,-1.0 4,-1.7 -3,-0.5 -2,-0.3 0.977 107.5 48.1 -62.9 -55.7 40.9 64.2 20.9 199 208 A I H X S+ 0 0 2 -4,-2.6 4,-0.9 2,-0.2 3,-0.2 0.863 108.6 57.2 -54.4 -36.6 38.2 63.0 18.6 200 209 A E H >X S+ 0 0 119 -4,-3.0 3,-2.8 1,-0.2 4,-1.2 0.965 107.3 47.0 -52.2 -66.3 35.9 65.5 20.2 201 210 A Q H 3X S+ 0 0 115 -4,-1.9 4,-1.9 1,-0.3 -1,-0.2 0.672 110.0 51.8 -48.5 -32.5 38.2 68.4 19.3 202 211 A R H 3< S+ 0 0 29 -4,-1.7 -1,-0.3 -3,-0.2 5,-0.2 0.599 104.2 58.7 -86.7 -10.5 38.7 67.3 15.7 203 212 A R H << S+ 0 0 89 -3,-2.8 -2,-0.2 -4,-0.9 -1,-0.2 0.897 113.3 36.9 -76.3 -50.2 34.9 67.1 15.1 204 213 A Q H < S+ 0 0 142 -4,-1.2 -2,-0.2 1,-0.3 -3,-0.1 0.894 133.9 20.9 -69.4 -49.5 34.4 70.8 16.0 205 214 A K S < S- 0 0 173 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.1 -0.827 86.1-147.9-134.4 96.3 37.5 72.2 14.4 206 215 A P - 0 0 75 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 0.010 14.1-173.5 -65.0 161.3 39.1 70.1 11.8 207 216 A G - 0 0 36 -5,-0.2 -48,-0.0 2,-0.2 -5,-0.0 -0.739 39.2-104.5-137.6-178.7 42.7 69.5 10.7 208 217 A T S S+ 0 0 138 -2,-0.2 5,-0.1 4,-0.1 -49,-0.1 0.538 80.6 113.7 -89.4 -16.1 44.5 67.7 7.9 209 218 A D S > S- 0 0 19 -51,-0.1 4,-1.4 1,-0.1 3,-0.4 -0.050 83.7-104.0 -56.0 164.3 45.7 64.9 10.2 210 219 A A H > S+ 0 0 4 -53,-1.1 4,-1.0 1,-0.3 3,-0.4 0.886 123.2 50.0 -54.2 -48.4 44.6 61.3 9.9 211 220 A I H > S+ 0 0 1 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.813 104.5 58.0 -63.4 -34.9 42.3 61.7 12.9 212 221 A S H > S+ 0 0 2 -3,-0.4 4,-1.1 1,-0.3 -1,-0.2 0.832 108.6 44.8 -67.6 -35.6 40.7 64.8 11.5 213 222 A I H < S+ 0 0 56 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.664 113.8 53.6 -71.7 -32.1 39.6 63.0 8.3 214 223 A V H >< S+ 0 0 0 -4,-1.0 3,-1.7 -5,-0.2 -2,-0.2 0.964 107.5 45.6 -74.8 -47.4 38.4 60.2 10.5 215 224 A A H 3< S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.1 0.884 121.4 41.2 -62.1 -34.0 36.2 62.2 12.9 216 225 A N T 3< S+ 0 0 72 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.242 92.0 138.3 -95.5 12.8 34.7 64.0 9.9 217 226 A G < - 0 0 4 -3,-1.7 7,-3.0 8,-0.1 2,-0.6 -0.290 50.7-128.0 -71.7 145.9 34.5 60.9 7.7 218 227 A Q E +I 223 0D 116 5,-0.2 2,-0.4 -2,-0.1 3,-0.1 -0.835 26.4 178.6 -95.5 118.4 31.7 59.9 5.4 219 228 A V E > -I 222 0D 1 3,-2.2 3,-0.6 -2,-0.6 -117,-0.1 -0.784 66.6 -26.1-127.7 102.3 30.2 56.4 5.7 220 229 A N T 3 S- 0 0 110 -2,-0.4 2,-2.2 1,-0.2 -1,-0.2 0.971 122.7 -49.4 58.0 75.5 27.2 55.2 3.6 221 230 A G T 3 S+ 0 0 75 -3,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.064 124.8 85.9 56.7 -27.5 25.7 58.6 2.9 222 231 A R E < S-I 219 0D 90 -2,-2.2 -3,-2.2 -3,-0.6 2,-0.5 -0.491 86.8 -93.6 -98.8 167.0 25.8 59.6 6.6 223 232 A P E -I 218 0D 93 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.720 50.5-100.3 -84.2 129.9 28.4 61.2 8.8 224 233 A I - 0 0 3 -7,-3.0 2,-0.1 -2,-0.5 -4,-0.0 -0.011 39.0-112.2 -45.5 146.8 30.6 58.8 10.8 225 234 A T > - 0 0 55 1,-0.1 4,-0.6 -6,-0.1 -8,-0.1 -0.279 17.9-118.6 -77.0 164.3 29.7 58.2 14.5 226 235 A S H > S+ 0 0 64 2,-0.2 4,-2.9 1,-0.2 3,-0.2 0.900 117.1 48.7 -68.0 -44.1 31.9 59.4 17.3 227 236 A D H > S+ 0 0 66 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.915 107.7 51.8 -66.8 -46.1 32.2 55.7 18.4 228 237 A E H > S+ 0 0 22 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.740 114.2 47.9 -60.0 -26.2 33.1 54.4 14.9 229 238 A A H X S+ 0 0 0 -4,-0.6 4,-2.8 2,-0.2 3,-0.4 0.931 109.2 48.6 -80.3 -50.2 35.7 57.2 14.9 230 239 A K H X S+ 0 0 37 -4,-2.9 4,-0.5 1,-0.3 -2,-0.2 0.971 116.3 48.9 -50.7 -50.6 37.1 56.4 18.3 231 240 A R H X S+ 0 0 52 -4,-3.1 -141,-1.4 1,-0.2 4,-1.1 0.599 110.2 46.6 -63.6 -36.5 37.2 52.8 17.0 232 241 A M H X S+ 0 0 2 -4,-1.1 4,-1.5 -3,-0.4 3,-0.3 0.923 113.0 49.4 -70.8 -46.5 38.9 53.5 13.7 233 242 A C H X S+ 0 0 0 -4,-2.8 4,-0.9 1,-0.3 -2,-0.2 0.536 104.0 63.3 -64.6 -19.4 41.6 55.6 15.3 234 243 A G H X S+ 0 0 0 -4,-0.5 4,-1.6 -5,-0.2 3,-0.5 0.937 102.0 47.8 -71.7 -48.5 42.1 52.8 17.8 235 244 A L H X S+ 0 0 37 -4,-1.1 4,-2.7 -3,-0.3 5,-0.4 0.827 109.6 53.2 -59.5 -38.9 43.2 50.4 15.1 236 245 A L H X S+ 0 0 24 -4,-1.5 4,-2.0 2,-0.2 -1,-0.3 0.834 104.1 57.2 -65.4 -35.2 45.6 52.9 13.6 237 246 A L H X S+ 0 0 0 -4,-0.9 4,-2.4 -3,-0.5 -2,-0.2 0.985 114.8 35.4 -59.4 -56.2 47.2 53.5 17.0 238 247 A V H X S+ 0 0 16 -4,-1.6 4,-0.8 2,-0.3 5,-0.4 0.792 120.4 44.7 -67.0 -47.0 48.1 49.8 17.4 239 248 A G H X>S+ 0 0 33 -4,-2.7 4,-1.0 3,-0.2 5,-0.7 0.882 116.2 56.8 -64.4 -33.7 48.9 48.9 13.9 240 249 A G H <5S+ 0 0 15 -4,-2.0 4,-0.3 -5,-0.4 5,-0.3 0.953 118.8 22.1 -59.1 -66.5 50.8 52.1 14.0 241 250 A L H <5S+ 0 0 1 -4,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.123 126.0 47.9 -76.9 -17.8 53.1 51.6 16.9 242 251 A D H X5S+ 0 0 1 -4,-0.8 4,-1.0 -3,-0.5 -3,-0.2 0.763 103.6 40.1-109.0 -42.6 53.2 47.8 17.0 243 252 A T H X5S+ 0 0 45 -4,-1.0 4,-2.3 -5,-0.4 5,-0.2 0.984 118.8 41.9 -70.9 -59.9 53.8 45.9 13.8 244 253 A V H >> S+ 0 0 6 -5,-0.3 3,-1.2 1,-0.2 4,-0.9 0.948 112.7 36.3 -53.9 -59.4 58.3 48.5 15.4 246 255 A N H 3X S+ 0 0 11 -4,-1.0 4,-1.2 1,-0.3 3,-0.3 0.742 109.7 60.4 -63.9 -42.8 58.9 44.8 15.9 247 256 A F H 3X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 -1,-0.3 0.707 100.1 57.6 -57.2 -37.6 59.4 43.8 12.3 248 257 A L H < S+ 0 0 0 -4,-1.3 3,-1.3 -3,-0.5 7,-0.3 0.926 105.4 62.8 -67.9 -36.8 71.4 41.6 9.3 256 265 A A H 3< S+ 0 0 5 -4,-3.2 -1,-0.2 1,-0.3 118,-0.2 0.858 112.7 40.4 -54.3 -36.4 73.6 41.9 12.4 257 266 A K H 3< S+ 0 0 125 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.519 108.2 56.1 -86.1 -21.8 74.2 38.2 11.8 258 267 A S XX + 0 0 22 -3,-1.3 3,-3.0 -4,-0.6 4,-1.3 -0.664 51.7 178.2-129.3 83.3 74.6 37.7 8.1 259 268 A P H 3> S+ 0 0 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