==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JUN-13 4L4F . COMPND 2 MOLECULE: CAMPHOR 5-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR D.BATABYAL,H.LI,T.L.POULOS . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17208.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 66.7 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 . 16 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 2 0 3 0 0 2 0 2 2 1 0 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 0 190 0, 0.0 2,-0.5 0, 0.0 49,-0.5 0.000 360.0 360.0 360.0 106.9 -4.7 -0.6 19.0 2 11 A L - 0 0 88 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.849 360.0-137.2-105.2 123.5 -2.4 -2.9 17.0 3 12 A A - 0 0 23 45,-2.9 49,-0.0 -2,-0.5 46,-0.0 -0.464 41.1 -89.3 -72.1 146.0 -1.9 -2.5 13.3 4 13 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.324 50.3-102.4 -56.7 135.9 -1.9 -5.7 11.2 5 14 A L - 0 0 58 1,-0.1 6,-0.1 -3,-0.1 43,-0.0 -0.442 36.5-120.6 -65.2 121.2 1.6 -7.2 11.0 6 15 A P > - 0 0 32 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.332 21.9-116.6 -60.9 145.0 3.1 -6.5 7.6 7 16 A P T 3 S+ 0 0 139 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.771 111.0 58.9 -55.3 -29.3 4.0 -9.7 5.6 8 17 A H T 3 S+ 0 0 39 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.594 87.6 86.2 -77.6 -10.4 7.8 -8.8 5.7 9 18 A V S < S- 0 0 5 -3,-1.9 2,-0.1 292,-0.1 5,-0.1 -0.806 75.6-137.4 -97.3 116.5 8.0 -8.8 9.5 10 19 A P > - 0 0 54 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.425 18.5-121.5 -74.4 149.0 8.7 -12.2 11.1 11 20 A E G > S+ 0 0 170 1,-0.3 3,-1.6 2,-0.2 35,-0.1 0.764 105.7 66.8 -64.3 -26.2 6.6 -12.8 14.2 12 21 A H G 3 S+ 0 0 139 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.667 97.8 56.3 -69.7 -13.5 9.6 -13.4 16.5 13 22 A L G < S+ 0 0 16 -3,-1.8 33,-2.7 32,-0.1 2,-0.3 0.448 81.2 113.2 -94.3 -1.9 10.6 -9.7 16.1 14 23 A V B < +a 46 0A 37 -3,-1.6 2,-0.3 -4,-0.2 33,-0.2 -0.559 29.9 159.3 -75.2 129.5 7.2 -8.4 17.3 15 24 A F - 0 0 51 31,-2.7 2,-2.3 -2,-0.3 30,-0.1 -0.825 33.4-142.8-148.9 107.7 7.2 -6.5 20.6 16 25 A D + 0 0 62 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.391 34.2 163.8 -83.1 70.3 4.2 -4.3 21.1 17 26 A F - 0 0 8 -2,-2.3 2,-0.7 32,-0.1 32,-0.3 -0.685 27.7-149.6 -86.1 135.6 5.8 -1.3 22.8 18 27 A D > - 0 0 47 -2,-0.4 3,-1.7 3,-0.1 -2,-0.0 -0.885 4.8-165.1-109.2 104.2 3.7 2.0 22.9 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.676 90.1 50.0 -64.1 -16.3 6.1 5.0 22.9 20 29 A Y T 3 S+ 0 0 43 1,-0.2 364,-0.4 -3,-0.1 -1,-0.3 0.478 130.1 14.5 -98.9 -4.3 3.2 7.3 24.0 21 30 A N S < S- 0 0 102 -3,-1.7 -1,-0.2 362,-0.1 -2,-0.2 -0.248 77.0-167.3-165.1 65.1 2.1 5.1 26.9 22 31 A P > - 0 0 2 0, 0.0 3,-1.7 0, 0.0 11,-0.1 -0.320 27.1-125.1 -66.9 143.4 4.6 2.4 27.9 23 32 A S T 3 S+ 0 0 132 1,-0.3 3,-0.3 9,-0.1 9,-0.1 0.721 106.8 50.6 -63.2 -24.5 3.2 -0.2 30.2 24 33 A N T > S+ 0 0 83 8,-0.2 3,-1.8 1,-0.2 -1,-0.3 0.080 71.0 123.3-104.0 23.0 5.8 0.2 32.9 25 34 A L G X + 0 0 27 -3,-1.7 3,-1.9 1,-0.3 357,-0.3 0.776 61.6 67.7 -55.9 -31.6 5.4 4.0 33.1 26 35 A S G 3 S+ 0 0 133 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.738 94.2 58.4 -65.1 -20.0 4.7 3.9 36.8 27 36 A A G < S- 0 0 54 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.472 132.3 -72.5 -83.1 -2.5 8.2 2.8 37.6 28 37 A G <> - 0 0 9 -3,-1.9 4,-2.0 -4,-0.2 -1,-0.3 -0.135 44.2 -99.2 112.2 143.8 9.6 5.9 35.9 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.915 122.0 49.7 -68.1 -41.6 9.7 6.6 32.1 30 39 A Q H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.926 112.5 49.4 -60.7 -42.5 13.3 5.6 31.6 31 40 A E H > S+ 0 0 61 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.874 108.2 54.5 -61.2 -36.8 12.6 2.3 33.4 32 41 A A H >< S+ 0 0 1 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.905 111.6 43.2 -66.8 -39.4 9.5 1.9 31.2 33 42 A W H >< S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.2 -1,-0.2 0.812 100.9 70.7 -72.6 -29.4 11.6 2.2 28.1 34 43 A A H >< S+ 0 0 16 -4,-1.9 3,-2.2 1,-0.3 -1,-0.2 0.640 75.7 81.5 -68.7 -10.8 14.3 -0.0 29.5 35 44 A V G X< S+ 0 0 35 -3,-0.8 3,-1.4 -4,-0.5 -1,-0.3 0.802 81.9 66.9 -59.5 -25.5 11.9 -3.0 29.2 36 45 A L G < S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.605 96.9 55.0 -67.9 -11.4 13.1 -2.9 25.5 37 46 A Q G < S+ 0 0 11 -3,-2.2 -1,-0.2 -4,-0.1 -2,-0.2 0.216 80.3 115.2-111.3 14.5 16.6 -4.0 26.9 38 47 A E S X S- 0 0 115 -3,-1.4 3,-2.1 1,-0.1 -3,-0.0 -0.422 82.7-103.3 -79.1 162.4 15.5 -7.1 28.8 39 48 A S T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.670 116.7 63.7 -65.9 -18.2 16.8 -10.5 27.6 40 49 A N T 3 S+ 0 0 113 2,-0.1 -1,-0.3 1,-0.0 -4,-0.1 0.543 89.9 82.1 -78.6 -7.9 13.5 -11.4 26.0 41 50 A V S < S- 0 0 11 -3,-2.1 -28,-0.1 -6,-0.1 4,-0.1 -0.873 75.7-131.3-108.5 123.4 13.7 -8.6 23.4 42 51 A P - 0 0 45 0, 0.0 3,-0.2 0, 0.0 -4,-0.1 -0.108 31.2-104.2 -58.2 166.7 15.8 -8.7 20.2 43 52 A D S S+ 0 0 56 1,-0.2 14,-2.9 256,-0.1 15,-0.4 0.836 111.5 28.0 -61.2 -35.9 18.1 -5.9 19.2 44 53 A L E S+ B 0 56A 5 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.986 79.9 175.8-135.9 118.0 15.6 -4.6 16.6 45 54 A V E - B 0 55A 0 10,-2.3 10,-2.6 -2,-0.4 2,-0.5 -0.802 26.7-129.7-124.4 162.2 11.9 -5.2 17.0 46 55 A W E -aB 14 54A 11 -33,-2.7 -31,-2.7 -2,-0.3 2,-0.4 -0.965 19.0-160.6-110.7 123.9 8.6 -4.3 15.3 47 56 A T E - B 0 53A 0 6,-2.8 6,-2.2 -2,-0.5 -31,-0.2 -0.879 13.2-154.2 -99.2 139.4 5.8 -2.8 17.4 48 57 A R > + 0 0 83 -2,-0.4 -45,-2.9 4,-0.2 3,-0.6 0.475 66.8 104.1 -85.7 -3.4 2.3 -2.9 16.0 49 58 A C G > S+ 0 0 12 -32,-0.3 3,-2.1 1,-0.2 -47,-0.1 -0.381 77.4 18.7 -73.7 156.1 1.4 0.1 18.2 50 59 A N G 3 S- 0 0 43 -49,-0.5 31,-0.3 1,-0.3 -1,-0.2 0.814 141.7 -45.6 58.5 35.5 1.0 3.6 16.7 51 60 A G G < S- 0 0 61 -3,-0.6 -1,-0.3 -50,-0.4 -2,-0.1 0.202 105.0 -73.1 94.1 -13.5 0.6 2.4 13.1 52 61 A G < + 0 0 3 -3,-2.1 256,-0.3 1,-0.1 2,-0.3 0.448 65.9 159.8 95.9 125.3 3.4 -0.1 13.2 53 62 A H E -B 47 0A 1 -6,-2.2 -6,-2.8 254,-0.1 256,-0.2 -0.978 37.4 -97.1-167.0 160.3 7.2 0.7 13.2 54 63 A W E -Bc 46 309A 0 254,-2.8 256,-3.1 -2,-0.3 2,-0.4 -0.445 27.6-160.0 -77.6 156.8 10.6 -0.6 14.0 55 64 A I E -Bc 45 310A 0 -10,-2.6 -10,-2.3 254,-0.2 2,-0.4 -0.950 7.8-150.1-138.0 120.7 12.5 0.2 17.2 56 65 A A E -B 44 0A 0 254,-2.2 -12,-0.2 -2,-0.4 259,-0.1 -0.767 13.2-174.1 -83.5 135.5 16.2 -0.2 17.6 57 66 A T + 0 0 0 -14,-2.9 2,-0.4 -2,-0.4 -13,-0.1 0.429 54.5 71.3-115.7 -0.9 17.0 -1.0 21.2 58 67 A R S >> S- 0 0 9 -15,-0.4 4,-2.3 1,-0.1 3,-0.5 -0.942 75.8-126.9-124.1 142.1 20.8 -1.0 21.4 59 68 A G H 3> S+ 0 0 0 -2,-0.4 4,-2.8 257,-0.3 5,-0.3 0.833 107.4 58.0 -50.9 -40.9 23.2 2.0 21.3 60 69 A Q H 3> S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 111.3 41.2 -59.6 -45.2 25.2 0.4 18.5 61 70 A L H <> S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.898 113.6 52.5 -70.4 -41.2 22.2 0.2 16.1 62 71 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.943 112.8 44.7 -60.6 -48.2 20.9 3.6 17.1 63 72 A R H X S+ 0 0 54 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.921 112.7 51.4 -61.4 -46.8 24.2 5.3 16.4 64 73 A E H X S+ 0 0 74 -4,-2.2 4,-1.8 -5,-0.3 3,-0.2 0.921 111.2 46.9 -58.0 -46.2 24.7 3.4 13.1 65 74 A A H < S+ 0 0 0 -4,-2.6 7,-0.3 1,-0.2 -1,-0.2 0.892 109.4 53.5 -65.8 -39.2 21.2 4.4 11.8 66 75 A Y H < S+ 0 0 6 -4,-2.1 279,-0.5 -5,-0.2 -1,-0.2 0.781 111.3 47.8 -66.8 -26.3 21.7 8.0 12.8 67 76 A E H < S+ 0 0 118 -4,-1.6 2,-1.6 -3,-0.2 -1,-0.2 0.847 100.3 69.1 -77.2 -35.8 25.0 8.1 10.8 68 77 A D >X + 0 0 42 -4,-1.8 4,-2.7 1,-0.2 3,-0.8 -0.522 52.5 158.9 -91.0 74.2 23.5 6.4 7.7 69 78 A Y T 34 + 0 0 82 -2,-1.6 -1,-0.2 1,-0.2 5,-0.1 0.709 66.2 72.4 -68.1 -20.3 21.2 9.1 6.3 70 79 A R T 34 S+ 0 0 172 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.888 116.4 20.2 -62.3 -38.1 21.3 7.5 2.9 71 80 A H T <4 S+ 0 0 46 -3,-0.8 222,-2.2 1,-0.2 2,-0.8 0.780 127.5 51.8 -96.3 -35.7 19.1 4.7 4.2 72 81 A F E < S-D 292 0A 1 -4,-2.7 220,-0.2 -7,-0.3 -1,-0.2 -0.804 78.9-167.7-110.6 90.5 17.6 6.3 7.3 73 82 A S E > -D 291 0A 0 218,-2.6 218,-2.3 -2,-0.8 3,-0.6 -0.495 25.4-147.8 -85.8 144.5 16.1 9.7 6.2 74 83 A S T 3 S+ 0 0 1 216,-0.2 -1,-0.1 1,-0.2 20,-0.1 0.364 76.5 100.3 -84.7 3.3 14.9 12.5 8.4 75 84 A E T 3 S+ 0 0 114 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.830 97.6 25.9 -61.4 -28.9 12.2 13.5 6.0 76 85 A C S < S+ 0 0 6 -3,-0.6 -1,-0.3 1,-0.1 8,-0.2 -0.748 78.0 155.2-132.6 81.8 9.6 11.7 8.1 77 86 A P + 0 0 2 0, 0.0 212,-2.1 0, 0.0 2,-0.4 0.465 46.0 74.0 -99.0 -2.4 11.1 11.6 11.6 78 87 A F S S- 0 0 13 210,-0.2 6,-0.7 3,-0.1 7,-0.1 -0.882 74.9-110.9-113.8 145.0 8.1 11.3 13.9 79 88 A I S S+ 0 0 4 -2,-0.4 2,-0.2 4,-0.1 307,-0.1 -0.905 91.0 56.3-100.1 139.4 5.8 8.4 14.8 80 89 A P S >> S- 0 0 28 0, 0.0 4,-2.1 0, 0.0 3,-0.9 0.575 88.3-124.6 -78.6 172.9 3.0 8.1 14.0 81 90 A R H 3> S+ 0 0 83 -31,-0.3 4,-2.9 1,-0.3 5,-0.3 0.823 107.5 58.3 -52.7 -40.7 3.2 8.4 10.2 82 91 A E H 3> S+ 0 0 129 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.874 109.9 44.8 -61.2 -37.4 0.7 11.3 9.9 83 92 A A H <> S+ 0 0 7 -3,-0.9 4,-1.5 2,-0.2 -2,-0.2 0.933 113.3 49.8 -69.6 -48.4 2.9 13.4 12.3 84 93 A G H < S+ 0 0 0 -4,-2.1 -2,-0.2 -6,-0.7 -1,-0.2 0.867 112.1 48.2 -57.4 -39.7 6.1 12.4 10.5 85 94 A E H < S+ 0 0 135 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.895 113.3 46.3 -70.3 -38.5 4.6 13.3 7.1 86 95 A A H < S+ 0 0 25 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.2 0.710 89.9 105.2 -74.0 -19.9 3.3 16.7 8.3 87 96 A Y < + 0 0 12 -4,-1.5 -9,-0.1 1,-0.1 98,-0.0 -0.464 32.1 151.6 -66.6 118.2 6.7 17.4 10.0 88 97 A D + 0 0 39 -2,-0.4 -1,-0.1 -12,-0.1 143,-0.1 0.177 17.5 145.3-135.7 20.2 8.6 19.9 7.9 89 98 A F > - 0 0 2 145,-0.1 4,-2.7 1,-0.1 143,-0.2 -0.204 49.6 -93.8 -61.5 149.5 10.8 21.7 10.4 90 99 A I T 4 S+ 0 0 0 141,-1.7 145,-0.3 1,-0.2 -1,-0.1 -0.945 96.3 2.3-114.5 134.0 14.2 22.9 9.4 91 100 A P T >4 S+ 0 0 12 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.995 123.9 62.9 -91.6 -3.0 16.9 21.6 9.6 92 101 A T T 34 S+ 0 0 24 1,-0.3 -2,-0.2 140,-0.1 7,-0.1 0.777 99.7 52.8 -60.0 -33.0 15.5 18.4 11.1 93 102 A S T 3< S+ 0 0 17 -4,-2.7 2,-0.4 -18,-0.1 -1,-0.3 0.404 99.8 82.0 -84.6 4.9 13.3 17.3 8.2 94 103 A M < - 0 0 10 -3,-2.1 -6,-0.0 -5,-0.2 -5,-0.0 -0.871 67.7-145.0-110.2 144.3 16.3 17.5 5.8 95 104 A D >> - 0 0 34 -2,-0.4 4,-1.6 1,-0.1 3,-0.6 -0.602 45.0 -50.9 -92.1 161.6 19.1 15.1 5.2 96 105 A P T 34 S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.425 118.5 24.2 -59.9 149.7 22.7 16.0 4.4 97 106 A P T >4 S+ 0 0 80 0, 0.0 3,-1.3 0, 0.0 4,-0.4 -0.991 123.0 53.4 -87.8 -3.1 23.9 17.8 2.4 98 107 A E T <> S+ 0 0 121 -3,-0.6 4,-0.5 1,-0.3 3,-0.4 0.853 105.3 55.5 -58.8 -38.4 20.7 19.9 2.2 99 108 A Q H 3X S+ 0 0 15 -4,-1.6 4,-2.9 1,-0.2 3,-0.3 0.723 88.4 85.0 -64.9 -20.1 20.5 20.5 6.0 100 109 A R H <> S+ 0 0 152 -3,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.876 88.1 42.5 -58.4 -52.6 24.0 21.9 6.1 101 110 A Q H > S+ 0 0 79 -4,-0.4 4,-1.0 -3,-0.4 -1,-0.2 0.826 117.6 48.3 -68.4 -29.4 23.5 25.6 5.2 102 111 A F H X S+ 0 0 11 -4,-0.5 4,-1.9 -3,-0.3 -2,-0.2 0.891 109.7 52.0 -74.2 -40.1 20.4 25.8 7.4 103 112 A R H X S+ 0 0 42 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.867 103.4 58.5 -62.6 -36.2 22.2 24.1 10.3 104 113 A A H X S+ 0 0 50 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.887 107.7 47.5 -59.4 -38.0 25.0 26.7 10.0 105 114 A L H X S+ 0 0 7 -4,-1.0 4,-1.0 2,-0.2 -1,-0.2 0.876 108.5 53.8 -72.6 -38.4 22.4 29.4 10.6 106 115 A A H >X S+ 0 0 3 -4,-1.9 4,-2.1 1,-0.2 3,-0.9 0.929 106.3 53.1 -59.9 -44.3 20.9 27.5 13.6 107 116 A N H 3X S+ 0 0 68 -4,-2.6 4,-1.7 1,-0.3 7,-0.3 0.841 102.8 59.5 -58.6 -35.1 24.4 27.4 15.1 108 117 A Q H 3< S+ 0 0 118 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.812 114.3 34.6 -61.6 -32.7 24.6 31.1 14.7 109 118 A V H << S+ 0 0 2 -4,-1.0 -2,-0.2 -3,-0.9 -1,-0.2 0.715 135.0 17.6-102.8 -22.5 21.6 31.8 16.9 110 119 A V H < S+ 0 0 11 -4,-2.1 243,-0.4 -5,-0.1 -3,-0.2 0.366 100.6 105.1-127.1 3.7 21.7 29.0 19.6 111 120 A G S >X S- 0 0 4 -4,-1.7 4,-1.8 -5,-0.4 3,-0.9 -0.018 86.1 -70.3 -82.2-173.8 25.3 27.8 19.5 112 121 A M H 3> S+ 0 0 99 1,-0.3 4,-3.1 2,-0.2 -4,-0.1 0.813 125.0 50.6 -44.0 -54.6 28.3 28.3 21.7 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175 184 A M H << S+ 0 0 4 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.827 122.1 30.8 -81.7 -33.4 3.6 17.9 19.1 176 185 A T H < S+ 0 0 3 -4,-1.4 210,-2.1 1,-0.2 211,-0.5 0.765 137.4 20.5 -96.8 -33.4 5.8 15.8 21.4 177 186 A R S < S- 0 0 46 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 -0.568 85.9-159.9-135.7 69.8 3.2 14.4 23.8 178 187 A P - 0 0 62 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.130 15.9-165.3 -60.0 147.4 -0.2 14.7 22.0 179 188 A D - 0 0 133 3,-0.2 -5,-0.1 -5,-0.1 -6,-0.0 0.433 46.7-109.7-110.2 -6.5 -3.5 14.6 24.0 180 189 A G S S+ 0 0 72 2,-0.4 3,-0.1 -6,-0.2 -6,-0.0 0.259 92.0 111.1 94.7 -10.5 -5.7 13.9 21.0 181 190 A S S S+ 0 0 68 1,-0.2 2,-0.3 2,-0.0 -7,-0.0 0.745 86.7 11.6 -71.8 -23.5 -7.2 17.4 21.1 182 191 A M S S- 0 0 39 -8,-0.1 -2,-0.4 4,-0.0 -3,-0.2 -0.993 80.3-107.9-152.7 149.0 -5.5 18.4 17.8 183 192 A T > - 0 0 73 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.243 36.0-110.7 -67.8 161.9 -3.6 16.8 15.0 184 193 A F H > S+ 0 0 22 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.936 120.9 53.7 -56.7 -45.9 0.1 17.3 14.6 185 194 A A H > S+ 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-4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.826 96.9 77.6 -72.4 -35.8 5.5 33.1 13.7 196 205 A I H X S+ 0 0 77 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.866 98.9 38.4 -49.0 -54.2 4.3 34.4 10.3 197 206 A P H > S+ 0 0 66 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.851 115.8 54.5 -69.4 -29.3 3.6 38.0 11.1 198 207 A I H X S+ 0 0 18 -4,-0.6 4,-2.0 -3,-0.3 -2,-0.2 0.910 108.4 47.8 -67.7 -43.7 6.6 38.2 13.4 199 208 A I H X S+ 0 0 3 -4,-2.8 4,-1.3 2,-0.2 5,-0.2 0.904 110.8 52.3 -61.3 -42.5 9.0 37.0 10.7 200 209 A E H X S+ 0 0 115 -4,-1.9 4,-1.5 -5,-0.3 3,-0.4 0.932 110.6 48.2 -58.7 -46.1 7.4 39.5 8.3 201 210 A Q H X S+ 0 0 109 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.882 111.8 49.2 -60.0 -40.9 8.0 42.4 10.8 202 211 A R H < S+ 0 0 38 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.608 107.6 52.3 -87.9 -9.5 11.6 41.3 11.4 203 212 A R H < S+ 0 0 85 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.733 112.7 48.3 -82.4 -28.7 12.5 41.1 7.8 204 213 A Q H < S+ 0 0 115 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.921 133.8 12.4 -69.9 -48.9 11.0 44.6 7.5 205 214 A K S < S- 0 0 172 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.1 -0.787 86.5-149.0-134.8 89.5 13.0 45.9 10.5 206 215 A P - 0 0 84 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.250 14.0-173.4 -61.4 140.1 15.7 43.5 11.6 207 216 A G - 0 0 38 -5,-0.2 -48,-0.0 2,-0.2 0, 0.0 -0.358 38.7-104.7-109.1-160.5 16.8 43.2 15.3 208 217 A T S S+ 0 0 135 -2,-0.2 -49,-0.1 4,-0.1 2,-0.1 0.276 81.8 113.4-112.8 6.3 19.6 41.2 16.8 209 218 A D S > S- 0 0 27 -51,-0.1 4,-2.2 1,-0.1 -51,-0.2 -0.300 83.7-101.9 -74.5 163.1 17.3 38.5 18.2 210 219 A A H > S+ 0 0 4 -53,-2.7 4,-2.3 1,-0.2 5,-0.2 0.833 120.3 51.8 -58.1 -37.9 17.4 34.9 17.0 211 220 A I H > S+ 0 0 2 -53,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.928 109.9 49.0 -68.2 -44.2 14.3 35.3 14.8 212 221 A S H > S+ 0 0 1 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.908 112.0 49.6 -56.4 -44.5 15.6 38.4 13.1 213 222 A I H < S+ 0 0 62 -4,-2.2 4,-0.2 2,-0.2 3,-0.2 0.905 114.4 43.2 -67.0 -42.7 18.9 36.6 12.4 214 223 A V H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.953 112.5 53.0 -64.4 -48.3 17.3 33.5 10.9 215 224 A A H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.667 115.8 40.6 -65.2 -18.1 14.7 35.5 8.9 216 225 A N T 3< S+ 0 0 71 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.267 93.5 110.7-113.5 9.4 17.5 37.6 7.3 217 226 A G < - 0 0 13 -3,-1.6 7,-2.4 -4,-0.2 2,-0.3 -0.072 60.9-118.7 -74.5-178.4 20.1 34.9 6.7 218 227 A Q E -H 223 0C 117 5,-0.3 2,-0.3 -117,-0.1 3,-0.1 -0.954 20.3-172.2-128.3 142.5 21.2 33.4 3.4 219 228 A V E > -H 222 0C 5 3,-3.3 3,-2.5 -2,-0.3 -117,-0.0 -0.998 69.6 -11.5-137.8 151.0 21.2 30.0 1.7 220 229 A N T 3 S- 0 0 132 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.841 130.9 -46.2 17.3 66.2 22.8 28.7 -1.5 221 230 A G T 3 S+ 0 0 73 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.413 125.1 79.1 79.3 -0.3 23.7 32.2 -2.7 222 231 A R E < S-H 219 0C 97 -3,-2.5 -3,-3.3 1,-0.0 -1,-0.2 -0.875 85.9 -79.4-138.3 164.3 20.3 33.8 -1.9 223 232 A P E -H 218 0C 82 0, 0.0 -5,-0.3 0, 0.0 -6,-0.1 -0.331 51.6-105.1 -59.4 144.4 18.1 35.2 0.9 224 233 A I - 0 0 1 -7,-2.4 2,-0.1 -10,-0.2 -4,-0.0 -0.414 41.3-118.3 -62.9 144.9 16.3 32.7 3.1 225 234 A T > - 0 0 55 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.486 16.7-114.8 -84.2 162.1 12.6 32.6 2.2 226 235 A S H > S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.843 119.4 53.4 -63.0 -31.9 9.9 33.6 4.7 227 236 A D H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.930 109.4 46.1 -66.3 -48.9 8.7 30.0 4.5 228 237 A E H > S+ 0 0 20 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.899 112.2 51.1 -61.0 -42.6 12.1 28.6 5.3 229 238 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.885 109.8 50.7 -61.8 -39.4 12.6 31.0 8.2 230 239 A K H X S+ 0 0 26 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.916 109.2 50.6 -62.7 -44.5 9.2 30.0 9.6 231 240 A R H X S+ 0 0 46 -4,-2.2 -141,-1.7 2,-0.2 4,-0.9 0.796 115.3 42.8 -67.2 -30.0 10.1 26.3 9.4 232 241 A M H X S+ 0 0 1 -4,-1.7 4,-2.0 -143,-0.2 -2,-0.2 0.897 113.9 49.2 -81.7 -42.9 13.4 26.9 11.2 233 242 A C H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.867 106.8 57.5 -64.4 -35.7 12.0 29.3 13.8 234 243 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.916 107.6 47.5 -57.4 -43.1 9.2 26.8 14.5 235 244 A L H X S+ 0 0 31 -4,-0.9 4,-3.1 -145,-0.3 -2,-0.2 0.881 107.6 55.5 -66.6 -39.2 11.8 24.2 15.4 236 245 A L H X S+ 0 0 22 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.907 109.0 48.5 -60.1 -40.8 13.7 26.6 17.6 237 246 A L H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.929 112.6 46.5 -63.7 -47.5 10.5 27.2 19.6 238 247 A V H X S+ 0 0 17 -4,-2.1 4,-0.7 1,-0.2 5,-0.4 0.945 116.7 45.8 -60.9 -45.7 9.8 23.5 20.0 239 248 A G H < S+ 0 0 38 -4,-3.1 5,-0.5 1,-0.2 4,-0.3 0.774 114.9 46.8 -68.3 -28.5 13.4 22.8 20.9 240 249 A G H < S+ 0 0 16 -4,-1.9 -1,-0.2 -5,-0.2 -86,-0.2 0.684 113.7 45.7 -85.8 -18.4 13.5 25.7 23.4 241 250 A L H < S+ 0 0 4 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.434 117.9 27.5-109.4 -2.0 10.3 25.1 25.2 242 251 A D S X S+ 0 0 2 -4,-0.7 4,-2.4 -3,-0.1 5,-0.2 0.746 104.7 51.5-127.3 -55.8 10.3 21.4 25.9 243 252 A T H > S+ 0 0 40 -5,-0.4 4,-2.7 -4,-0.3 5,-0.2 0.938 113.0 39.4 -65.9 -54.8 13.5 19.3 26.3 244 253 A V H > S+ 0 0 17 -5,-0.5 4,-2.8 1,-0.2 5,-0.2 0.913 113.9 58.7 -61.0 -38.2 15.5 21.3 28.9 245 254 A V H > S+ 0 0 7 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.958 113.3 36.1 -53.4 -53.6 12.3 22.0 30.8 246 255 A N H X S+ 0 0 12 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.878 113.5 57.5 -73.1 -33.7 11.6 18.3 31.3 247 256 A F H X S+ 0 0 4 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.915 103.3 54.2 -60.6 -42.3 15.2 17.3 31.7 248 257 A L H X S+ 0 0 5 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.890 107.6 51.4 -58.8 -40.4 15.6 19.7 34.6 249 258 A S H X S+ 0 0 0 -4,-1.3 4,-2.3 -5,-0.2 -1,-0.2 0.906 108.6 49.1 -64.3 -44.1 12.6 18.1 36.3 250 259 A F H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.913 114.8 46.8 -59.6 -43.1 13.9 14.5 36.0 251 260 A S H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.898 113.2 46.3 -66.5 -42.7 17.3 15.7 37.4 252 261 A M H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.861 108.5 56.7 -72.1 -33.7 15.8 17.6 40.3 253 262 A E H < S+ 0 0 19 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.937 110.5 45.5 -58.6 -47.0 13.5 14.7 41.1 254 263 A F H >< S+ 0 0 29 -4,-1.8 3,-1.6 1,-0.2 4,-0.3 0.938 111.8 50.1 -60.9 -48.5 16.6 12.5 41.4 255 264 A L H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.3 7,-0.2 0.855 101.5 63.5 -62.5 -32.4 18.6 15.0 43.5 256 265 A A T 3< S+ 0 0 7 -4,-2.3 118,-0.4 1,-0.3 -1,-0.3 0.684 110.1 40.0 -62.5 -18.9 15.6 15.3 45.8 257 266 A K T < S+ 0 0 128 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.352 108.7 67.4-107.9 3.2 16.1 11.7 46.7 258 267 A S X> + 0 0 15 -3,-1.4 4,-1.8 -4,-0.3 3,-0.5 -0.606 45.6 167.8-135.2 74.6 19.9 11.7 46.8 259 268 A P H 3> S+ 0 0 53 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.825 81.6 55.0 -55.8 -35.6 21.6 13.7 49.6 260 269 A E H 3> S+ 0 0 143 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.870 106.6 50.2 -71.0 -35.3 25.1 12.2 48.9 261 270 A H H <> S+ 0 0 33 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.889 108.7 53.6 -66.2 -39.7 25.0 13.2 45.3 262 271 A R H X S+ 0 0 8 -4,-1.8 4,-2.0 -7,-0.2 3,-0.3 0.945 109.3 48.4 -57.9 -48.1 24.0 16.7 46.3 263 272 A Q H X S+ 0 0 76 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.824 102.9 60.9 -66.5 -32.8 27.0 16.9 48.6 264 273 A E H X S+ 0 0 50 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.921 111.2 41.0 -53.4 -46.6 29.5 15.6 46.0 265 274 A L H < S+ 0 0 2 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.848 113.8 51.4 -75.9 -36.3 28.6 18.6 43.9 266 275 A I H < S+ 0 0 58 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.894 116.1 41.0 -66.4 -41.2 28.5 21.2 46.7 267 276 A E H < S+ 0 0 127 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.833 131.4 23.4 -79.7 -33.9 32.0 20.1 48.0 268 277 A R >< + 0 0 143 -4,-1.9 3,-2.5 -5,-0.3 -1,-0.2 -0.620 66.2 173.0-132.4 75.5 33.7 19.7 44.6 269 278 A P G > S+ 0 0 62 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.639 71.5 78.2 -62.5 -14.1 31.8 21.9 42.1 270 279 A E G 3 S+ 0 0 133 1,-0.3 4,-0.3 2,-0.1 -5,-0.1 0.637 87.7 61.9 -66.3 -12.3 34.4 21.2 39.5 271 280 A R G <> S+ 0 0 105 -3,-2.5 4,-2.6 -7,-0.2 -1,-0.3 0.488 78.0 92.3 -86.0 -6.8 32.6 17.8 39.2 272 281 A I H <> S+ 0 0 7 -3,-1.8 4,-2.9 1,-0.2 5,-0.2 0.902 80.5 52.6 -60.4 -43.8 29.4 19.5 38.1 273 282 A P H > S+ 0 0 66 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.937 112.9 45.4 -58.5 -42.7 30.1 19.3 34.3 274 283 A A H > S+ 0 0 48 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.900 112.1 51.9 -64.6 -40.2 30.7 15.5 34.6 275 284 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.898 105.7 55.8 -61.3 -41.0 27.5 15.2 36.8 276 285 A C H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.936 108.4 47.7 -53.5 -47.7 25.6 17.1 34.1 277 286 A E H X S+ 0 0 43 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.909 111.2 50.1 -61.7 -44.6 26.7 14.4 31.6 278 287 A E H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.897 112.1 46.9 -64.3 -39.4 25.8 11.5 33.9 279 288 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.884 108.8 55.3 -67.7 -37.9 22.3 13.0 34.5 280 289 A L H < S+ 0 0 4 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.876 112.7 44.3 -60.0 -36.9 21.9 13.6 30.8 281 290 A R H >< S+ 0 0 0 -4,-2.0 3,-1.1 2,-0.2 -2,-0.2 0.962 118.1 40.6 -68.4 -56.1 22.7 9.8 30.3 282 291 A R H 3< S+ 0 0 18 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.838 125.1 35.9 -67.7 -34.2 20.5 8.5 33.1 283 292 A F T 3< S+ 0 0 14 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 -0.052 80.4 154.5-113.2 29.5 17.5 10.8 32.5 284 293 A S < - 0 0 1 -3,-1.1 -3,-0.1 30,-0.2 30,-0.1 -0.222 16.6-179.8 -53.0 148.0 17.8 11.0 28.8 285 294 A L + 0 0 6 55,-0.2 103,-2.7 -5,-0.1 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