==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-APR-07 2YR4 . COMPND 2 MOLECULE: PRO-ENZYME OF L-PHENYLALANINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP. P-501; . AUTHOR K.IDA,M.KURABAYASHI,M.SUGURO,H.SUZUKI . 1347 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43579.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 889 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 181 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 84 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 171 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 322 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.3 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 0 4 5 7 1 3 2 1 5 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 4 0 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 PARALLEL BRIDGES PER LADDER . 16 10 6 2 5 3 1 0 2 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 . 9 2 1 3 0 0 2 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 1 A G 0 0 9 0, 0.0 2,-0.6 0, 0.0 633,-0.1 0.000 360.0 360.0 360.0-162.6 39.0 28.3 56.3 2 2 A V - 0 0 8 2,-0.0 2,-0.5 314,-0.0 311,-0.0 -0.740 360.0-140.7 -85.9 114.1 37.0 25.1 56.1 3 3 A T + 0 0 12 -2,-0.6 2,-0.5 307,-0.1 307,-0.2 -0.662 23.6 179.5 -77.0 121.7 34.0 24.9 58.5 4 4 A V + 0 0 2 -2,-0.5 328,-0.3 326,-0.2 -2,-0.0 -0.946 10.7 163.8-130.3 106.7 33.7 21.4 59.9 5 5 A I - 0 0 2 -2,-0.5 3,-0.4 1,-0.1 323,-0.1 -0.873 15.4-169.3-127.0 91.8 30.9 20.9 62.4 6 6 A P S S+ 0 0 5 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.839 82.2 32.6 -52.4 -41.2 30.3 17.1 62.9 7 7 A R S S- 0 0 105 200,-0.0 2,-0.2 2,-0.0 302,-0.1 -0.798 87.5-154.3-126.1 84.4 27.1 17.3 64.8 8 8 A L - 0 0 2 -2,-0.6 179,-1.6 300,-0.4 2,-0.4 -0.435 10.5-170.1 -75.9 128.3 25.3 20.4 63.6 9 9 A L - 0 0 95 177,-0.2 177,-0.2 -2,-0.2 5,-0.0 -0.942 26.3-113.6-112.1 138.6 22.8 22.1 65.9 10 10 A G - 0 0 19 -2,-0.4 161,-0.2 175,-0.2 160,-0.2 -0.319 19.3-128.3 -63.2 149.5 20.5 24.9 64.8 11 11 A L S > S+ 0 0 38 159,-3.2 3,-2.3 2,-0.1 160,-0.1 0.849 80.8 100.0 -69.2 -36.5 21.0 28.4 66.2 12 12 A K T 3 S- 0 0 120 158,-0.5 3,-0.1 1,-0.3 -2,-0.1 -0.305 105.4 -6.1 -59.0 125.2 17.4 28.8 67.3 13 13 A D T 3 S+ 0 0 125 1,-0.2 -1,-0.3 -2,-0.0 2,-0.2 0.443 92.9 148.5 70.9 -0.3 17.3 28.1 71.0 14 14 A E < - 0 0 32 -3,-2.3 3,-0.3 -4,-0.1 -1,-0.2 -0.470 36.4-146.3 -63.8 134.9 20.9 26.9 71.1 15 15 A K + 0 0 148 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.0 -0.559 69.5 43.7-100.5 168.3 22.3 27.8 74.6 16 16 A K + 0 0 197 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.813 69.2 164.3 69.2 32.4 25.8 28.9 75.6 17 17 A I - 0 0 50 -3,-0.3 -1,-0.2 -6,-0.1 2,-0.1 -0.725 37.5-124.0 -82.4 126.3 26.2 31.3 72.7 18 18 A A + 0 0 6 -2,-0.5 3,-0.1 1,-0.1 -1,-0.0 -0.454 29.2 179.9 -74.6 143.2 29.1 33.7 73.4 19 19 A T + 0 0 80 -2,-0.1 143,-1.8 1,-0.1 2,-0.3 0.445 62.5 44.5-123.1 -5.0 28.4 37.4 73.4 20 20 A T B > S-A 161 0A 36 141,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.948 81.4-112.6-135.3 159.3 31.8 38.9 74.2 21 21 A V H > S+ 0 0 0 139,-2.6 4,-3.0 136,-0.3 137,-0.2 0.905 118.1 53.2 -49.6 -45.6 35.4 38.4 73.2 22 22 A G H > S+ 0 0 8 136,-2.8 4,-1.5 138,-0.2 -1,-0.2 0.868 105.6 52.1 -65.7 -38.0 36.1 37.1 76.7 23 23 A E H > S+ 0 0 92 135,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.899 114.1 42.9 -65.2 -44.2 33.4 34.5 76.7 24 24 A A H >X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 3,-0.7 0.924 108.0 61.0 -65.9 -41.9 34.7 33.1 73.4 25 25 A R H 3< S+ 0 0 55 -4,-3.0 4,-0.3 1,-0.3 3,-0.3 0.869 103.0 52.6 -52.5 -37.2 38.3 33.3 74.6 26 26 A L H >< S+ 0 0 106 -4,-1.5 3,-1.0 1,-0.2 4,-0.3 0.848 96.6 66.1 -70.8 -34.3 37.4 31.0 77.5 27 27 A S H << S+ 0 0 48 -4,-1.0 3,-0.3 -3,-0.7 -1,-0.2 0.872 113.5 28.2 -58.2 -39.7 35.9 28.2 75.2 28 28 A G T >< S+ 0 0 1 -4,-1.0 3,-0.8 115,-0.5 118,-0.3 0.245 83.5 111.9-108.4 17.0 39.2 27.3 73.5 29 29 A I T < S+ 0 0 48 -3,-1.0 14,-0.4 -4,-0.3 -1,-0.2 0.803 87.1 36.8 -62.1 -29.8 41.7 28.2 76.2 30 30 A N T 3 S+ 0 0 49 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.569 83.2 123.7 -95.1 -11.2 42.7 24.5 76.7 31 31 A Y < - 0 0 9 -3,-0.8 10,-0.5 206,-0.1 2,-0.4 -0.335 38.9-167.2 -69.4 132.5 42.5 23.0 73.2 32 32 A R - 0 0 21 204,-1.7 5,-0.2 8,-0.2 8,-0.1 -0.955 16.7-132.0-117.8 129.4 45.7 21.3 72.0 33 33 A H > - 0 0 12 -2,-0.4 3,-1.9 6,-0.4 6,-0.2 -0.514 24.1-115.7 -78.8 150.0 46.1 20.3 68.4 34 34 A P G > S+ 0 0 2 0, 0.0 3,-0.6 0, 0.0 220,-0.1 0.710 113.3 52.4 -65.4 -23.4 47.3 16.8 67.7 35 35 A D G 3 S+ 0 0 8 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 0.501 125.1 28.9 -83.4 -7.2 50.7 17.8 66.0 36 36 A S G X S+ 0 0 5 -3,-1.9 3,-1.7 3,-0.1 -3,-0.3 -0.303 79.0 150.2-142.8 47.6 51.4 19.9 69.1 37 37 A A T < + 0 0 0 -3,-0.6 210,-0.1 1,-0.3 -2,-0.1 0.619 60.1 67.3 -74.5 -12.9 49.5 17.9 71.7 38 38 A L T 3 S+ 0 0 57 634,-0.2 2,-0.4 630,-0.1 -1,-0.3 0.546 101.0 51.2 -79.7 -7.0 51.7 18.8 74.7 39 39 A V < - 0 0 8 -3,-1.7 2,-0.7 -6,-0.2 -6,-0.4 -0.988 60.8-148.3-142.9 134.2 50.7 22.5 74.7 40 40 A S > - 0 0 7 -2,-0.4 4,-2.6 -8,-0.1 3,-0.4 -0.869 22.2-150.9 -85.6 117.3 47.7 24.8 74.7 41 41 A Y H > S+ 0 0 5 -2,-0.7 4,-2.2 -10,-0.5 -1,-0.1 0.878 94.0 56.4 -63.8 -39.3 49.0 27.8 72.8 42 42 A P H 4 S+ 0 0 7 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.865 109.6 47.9 -57.5 -34.2 46.7 30.2 74.7 43 43 A V H >4 S+ 0 0 60 -14,-0.4 3,-1.3 -3,-0.4 4,-0.3 0.925 110.8 50.2 -71.8 -43.1 48.3 29.0 77.9 44 44 A A H >< S+ 0 0 1 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.867 112.1 49.0 -57.1 -37.4 51.7 29.4 76.5 45 45 A A T 3< S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.446 82.2 94.6 -85.9 0.1 50.8 32.9 75.4 46 46 A A T < S+ 0 0 68 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.1 0.782 97.7 18.6 -66.2 -26.5 49.3 34.0 78.8 47 47 A A S < S- 0 0 47 -3,-0.6 616,-0.1 -4,-0.3 30,-0.1 -0.848 112.4 -62.6-129.6 168.4 52.7 35.5 79.8 48 48 A P - 0 0 37 0, 0.0 618,-0.1 0, 0.0 615,-0.1 -0.221 53.8-118.3 -50.1 143.9 55.8 36.6 77.8 49 49 A L S S- 0 0 0 25,-0.2 614,-2.5 613,-0.1 2,-0.3 0.681 70.2 -61.0 -67.0 -19.1 57.2 33.5 76.1 50 50 A G B -B 662 0B 12 612,-0.3 2,-0.3 616,-0.0 612,-0.2 -0.961 63.7 -62.8 170.7-152.1 60.5 33.7 77.9 51 51 A R - 0 0 121 610,-2.1 28,-0.1 -2,-0.3 27,-0.1 -0.955 27.2-150.8-134.2 145.6 63.6 35.9 78.5 52 52 A L - 0 0 17 -2,-0.3 3,-0.1 26,-0.2 603,-0.1 -0.854 30.6-104.8-107.6 151.5 66.4 37.4 76.4 53 53 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 29,-0.0 -0.270 55.5 -79.9 -59.4 159.1 69.9 38.2 77.5 54 54 A A S S+ 0 0 74 32,-0.1 2,-0.3 28,-0.1 30,-0.0 -0.319 81.6 104.6 -59.5 145.0 70.6 41.9 78.0 55 55 A G S S- 0 0 22 28,-0.2 32,-2.0 -3,-0.1 2,-0.7 -0.909 72.5 -92.8 161.3 170.6 71.3 43.7 74.7 56 56 A N E -c 87 0C 124 -2,-0.3 2,-0.2 30,-0.2 32,-0.2 -0.915 48.7-161.2-114.9 101.6 70.1 46.0 72.0 57 57 A Y E -c 88 0C 26 30,-2.3 32,-3.2 -2,-0.7 2,-0.5 -0.549 16.1-157.1 -87.1 144.1 68.6 43.7 69.4 58 58 A R E +c 89 0C 67 -2,-0.2 343,-2.9 30,-0.2 344,-1.1 -0.982 23.6 174.2-118.7 118.0 67.9 44.5 65.8 59 59 A I E -cd 90 402C 0 30,-3.1 32,-2.1 -2,-0.5 2,-0.4 -0.908 18.1-151.3-124.4 143.5 65.1 42.2 64.4 60 60 A A E -cd 91 403C 0 342,-1.8 344,-2.8 -2,-0.3 2,-0.5 -0.941 2.8-164.2-112.5 143.1 63.3 42.2 61.0 61 61 A I E -cd 92 404C 0 30,-2.3 32,-2.7 -2,-0.4 2,-0.7 -1.000 9.4-155.5-120.9 122.4 59.8 40.9 60.4 62 62 A V E +cd 93 405C 7 342,-2.8 344,-2.2 -2,-0.5 32,-0.2 -0.912 66.7 28.2-101.3 108.5 59.1 40.4 56.7 63 63 A G - 0 0 6 30,-2.9 31,-0.2 -2,-0.7 30,-0.1 0.346 61.2-140.6 108.8 125.3 55.3 40.6 56.2 64 64 A G + 0 0 0 4,-0.1 36,-0.2 28,-0.1 37,-0.1 -0.305 62.8 110.9-108.4 44.2 52.6 42.6 58.1 65 65 A G S > S- 0 0 16 341,-0.4 4,-2.5 49,-0.1 5,-0.3 -0.284 92.7 -68.9 -96.2-164.2 49.9 40.0 58.1 66 66 A A H > S+ 0 0 10 48,-0.4 4,-2.4 1,-0.2 5,-0.2 0.870 133.2 51.2 -55.7 -40.9 48.5 38.1 61.1 67 67 A G H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.945 113.1 41.1 -61.3 -52.0 51.7 36.2 61.4 68 68 A G H > S+ 0 0 0 338,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.856 116.9 49.3 -68.3 -36.1 54.1 39.0 61.4 69 69 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.903 110.8 48.3 -76.5 -37.0 51.9 41.2 63.6 70 70 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.925 112.1 51.3 -66.9 -38.4 51.4 38.5 66.3 71 71 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.904 108.9 51.4 -60.9 -42.7 55.1 37.9 66.2 72 72 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.905 108.7 51.7 -59.8 -42.4 55.6 41.7 66.7 73 73 A Y H X S+ 0 0 15 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.915 109.1 48.5 -64.1 -43.3 53.3 41.6 69.7 74 74 A E H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 -25,-0.2 0.862 109.7 53.0 -64.9 -33.7 55.1 38.7 71.3 75 75 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.830 107.4 52.7 -67.6 -34.5 58.4 40.7 70.7 76 76 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.920 107.5 51.2 -64.0 -44.0 56.8 43.6 72.5 77 77 A R H < S+ 0 0 56 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.870 114.5 44.1 -61.4 -38.6 55.9 41.4 75.4 78 78 A L H >< S+ 0 0 0 -4,-1.8 3,-1.8 2,-0.2 4,-0.3 0.911 108.4 56.6 -67.3 -48.7 59.5 40.3 75.5 79 79 A A H >< S+ 0 0 0 -4,-2.8 3,-2.3 1,-0.3 -2,-0.2 0.903 99.3 62.0 -49.9 -43.7 61.0 43.7 75.1 80 80 A A T 3< S+ 0 0 37 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.672 100.7 53.4 -59.4 -20.2 59.0 44.9 78.2 81 81 A T T < S+ 0 0 74 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.454 84.9 108.7 -97.5 -2.6 61.0 42.5 80.4 82 82 A L S < S- 0 0 6 -3,-2.3 3,-0.1 -4,-0.3 -28,-0.1 -0.398 73.5-108.2 -73.9 152.6 64.4 43.7 79.3 83 83 A P > - 0 0 69 0, 0.0 3,-2.5 0, 0.0 -28,-0.2 -0.307 48.1 -71.4 -77.4 167.4 66.5 45.6 81.8 84 84 A A T 3 S+ 0 0 97 1,-0.3 3,-0.1 -30,-0.0 277,-0.0 -0.241 125.0 30.4 -52.8 139.0 67.3 49.3 81.6 85 85 A G T 3 S+ 0 0 67 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.149 106.2 94.6 96.0 -16.7 69.6 50.0 78.7 86 86 A S < + 0 0 15 -3,-2.5 -1,-0.3 -7,-0.1 2,-0.3 -0.638 43.1 133.2-107.6 160.8 68.3 47.1 76.7 87 87 A G E -c 56 0C 10 -32,-2.0 -30,-2.3 -2,-0.2 2,-0.4 -0.978 44.1-100.3 174.9-179.8 65.6 46.9 74.0 88 88 A I E -ce 57 362C 4 273,-2.7 275,-2.2 -2,-0.3 2,-0.5 -0.990 17.1-160.1-130.2 127.2 64.5 45.7 70.6 89 89 A D E -ce 58 363C 45 -32,-3.2 -30,-3.1 -2,-0.4 2,-0.4 -0.960 16.3-165.3-102.5 126.4 64.5 47.6 67.3 90 90 A V E -ce 59 364C 0 273,-2.9 275,-2.4 -2,-0.5 2,-0.6 -0.936 13.1-163.9-114.8 132.6 62.2 46.0 64.7 91 91 A Q E -ce 60 365C 4 -32,-2.1 -30,-2.3 -2,-0.4 2,-0.6 -0.979 14.0-161.6-106.8 118.4 62.1 46.8 61.0 92 92 A I E -ce 61 366C 0 273,-2.6 275,-3.0 -2,-0.6 2,-0.5 -0.927 3.0-155.4-105.8 121.5 58.9 45.5 59.5 93 93 A Y E +ce 62 367C 2 -32,-2.7 -30,-2.9 -2,-0.6 2,-0.3 -0.820 17.9 170.7 -95.3 133.6 59.0 45.1 55.7 94 94 A E - 0 0 21 273,-2.6 276,-0.1 -2,-0.5 5,-0.1 -0.896 16.4-172.9-146.9 109.4 55.6 45.2 53.9 95 95 A A + 0 0 48 -2,-0.3 275,-0.1 273,-0.2 -1,-0.1 0.677 57.8 101.5 -71.2 -21.6 55.5 45.4 50.1 96 96 A D > - 0 0 34 1,-0.2 3,-1.8 273,-0.1 6,-0.2 -0.557 59.4-157.0 -75.6 116.1 51.7 45.9 49.8 97 97 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.772 93.0 55.7 -66.2 -19.1 51.1 49.6 49.1 98 98 A D T 3 S+ 0 0 86 14,-0.1 15,-2.4 3,-0.0 2,-0.1 0.261 79.5 128.2 -93.8 12.0 47.6 49.1 50.6 99 99 A S B X -g 113 0D 2 -3,-1.8 3,-1.8 13,-0.2 4,-0.3 -0.402 69.5-125.2 -64.0 145.3 48.7 47.7 53.9 100 100 A F G > S+ 0 0 7 13,-2.8 3,-1.5 1,-0.3 -1,-0.1 0.787 108.6 70.9 -56.5 -30.4 47.4 49.4 57.1 101 101 A L G 3 S+ 0 0 18 12,-0.4 -1,-0.3 1,-0.3 265,-0.1 0.683 96.7 48.4 -60.9 -22.7 51.1 49.8 58.0 102 102 A H G < S+ 0 0 36 -3,-1.8 2,-0.5 -6,-0.2 -1,-0.3 0.394 82.0 114.4-102.1 2.1 51.6 52.4 55.3 103 103 A D < 0 0 61 -3,-1.5 -5,-0.0 -4,-0.3 -3,-0.0 -0.620 360.0 360.0 -74.4 123.2 48.5 54.5 56.2 104 104 A R 0 0 277 -2,-0.5 -1,-0.1 0, 0.0 -2,-0.1 -0.540 360.0 360.0 -70.1 360.0 49.6 57.9 57.6 105 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 106 109 A A 0 0 162 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.2 40.5 63.1 59.4 107 110 A I - 0 0 141 3,-0.0 2,-0.2 0, 0.0 3,-0.0 -0.919 360.0 -85.8-131.3 156.2 38.3 60.0 59.0 108 111 A K - 0 0 151 -2,-0.3 2,-0.4 1,-0.1 0, 0.0 -0.502 45.2-123.4 -61.5 129.6 39.4 56.3 59.2 109 112 A V - 0 0 73 -2,-0.2 3,-0.4 -9,-0.1 2,-0.2 -0.641 29.5-146.9 -77.6 126.6 40.7 55.1 55.8 110 113 A R + 0 0 94 -2,-0.4 11,-0.1 1,-0.2 -1,-0.0 -0.544 69.1 37.8 -91.2 159.3 38.7 52.1 54.6 111 114 A G S S+ 0 0 17 1,-0.2 -1,-0.2 -2,-0.2 10,-0.1 0.582 71.5 149.6 84.3 10.4 39.9 49.2 52.6 112 115 A L - 0 0 21 -3,-0.4 7,-0.4 6,-0.1 2,-0.3 -0.397 35.8-135.8 -74.2 159.8 43.4 48.9 54.1 113 116 A K B -g 99 0D 71 -15,-2.4 -13,-2.8 5,-0.1 -12,-0.4 -0.827 26.4-167.5-119.9 150.5 44.8 45.4 54.2 114 117 A A B > S-H 117 0E 1 3,-2.9 3,-1.2 1,-0.4 -48,-0.4 -0.716 70.0 -83.5-124.3 77.6 46.7 43.2 56.6 115 118 A G T 3 S+ 0 0 35 1,-0.3 -1,-0.4 -2,-0.2 -50,-0.1 -0.380 114.7 2.8 57.9-125.0 47.7 40.5 54.0 116 119 A R T 3 S+ 0 0 83 -3,-0.1 22,-1.3 -2,-0.1 2,-0.6 0.226 117.2 87.1 -81.2 18.6 44.8 38.1 53.6 117 120 A V B < +H 114 0E 6 -3,-1.2 -3,-2.9 20,-0.2 2,-0.3 -0.971 64.4 118.2-109.7 112.7 42.6 40.1 56.0 118 121 A S - 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0 0 43 0, 0.0 2,-0.4 0, 0.0 5,-0.2 -0.253 15.0-146.9 -67.8 160.9 40.2 5.2 65.0 224 227 A I B > S-T 227 0J 1 3,-2.5 3,-2.0 1,-0.1 30,-0.1 -0.997 90.6 -4.8-122.4 127.8 42.9 7.1 66.9 225 228 A A T 3 S- 0 0 25 -2,-0.4 -1,-0.1 28,-0.3 3,-0.1 0.877 130.6 -64.3 53.9 39.6 44.5 5.2 69.8 226 229 A N T 3 S+ 0 0 137 1,-0.2 -1,-0.3 27,-0.1 2,-0.3 0.567 119.5 93.6 58.8 14.3 41.9 2.5 69.0 227 230 A V B < S-T 224 0J 38 -3,-2.0 -3,-2.5 -5,-0.1 -1,-0.2 -0.803 85.7 -78.1-128.6 169.1 39.0 4.8 69.9 228 231 A D >> - 0 0 2 -2,-0.3 3,-1.5 -15,-0.2 4,-1.4 -0.378 37.4-121.3 -66.0 140.4 36.7 7.2 68.1 229 232 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.876 112.2 66.2 -49.3 -36.1 38.0 10.6 67.2 230 233 A A H 3> S+ 0 0 18 -19,-2.3 4,-1.2 1,-0.2 -18,-0.1 0.856 101.0 49.3 -53.8 -36.8 35.2 12.2 69.3 231 234 A K H <> S+ 0 0 38 -3,-1.5 4,-1.1 -18,-0.3 -1,-0.2 0.872 110.3 49.6 -73.0 -36.1 36.9 10.6 72.4 232 235 A I H X S+ 0 0 7 -4,-1.4 4,-2.6 1,-0.2 3,-0.4 0.907 104.2 58.7 -68.7 -38.4 40.3 12.0 71.5 233 236 A A H X S+ 0 0 15 -4,-2.6 4,-1.5 1,-0.3 -1,-0.2 0.895 102.5 55.5 -58.8 -35.9 38.9 15.5 70.9 234 237 A A H < S+ 0 0 62 -4,-1.2 -1,-0.3 -5,-0.2 4,-0.2 0.863 108.8 46.9 -65.2 -37.5 37.7 15.4 74.5 235 238 A I H >< S+ 0 0 58 -4,-1.1 3,-1.5 -3,-0.4 -2,-0.2 0.934 110.6 50.8 -69.2 -49.8 41.2 14.6 75.8 236 239 A L H 3< S+ 0 0 0 -4,-2.6 -204,-1.7 1,-0.2 -2,-0.2 0.771 113.9 45.7 -58.0 -26.7 42.8 17.3 73.7 237 240 A N T 3< S+ 0 0 63 -4,-1.5 -1,-0.2 -206,-0.2 -207,-0.2 0.397 88.4 116.5 -94.3 1.5 40.3 19.9 75.0 238 241 A A < - 0 0 32 -3,-1.5 -3,-0.1 -4,-0.2 -206,-0.0 -0.370 63.9-139.3 -76.7 147.3 40.6 18.9 78.7 239 242 A A S S+ 0 0 58 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.0 0.926 98.5 16.8 -66.5 -38.8 41.9 21.3 81.2 240 243 A T S S- 0 0 130 -3,-0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.515 77.4-178.6-139.8 63.9 43.8 18.6 83.0 241 244 A P - 0 0 28 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.271 40.4 -81.1 -66.0 156.1 44.4 15.4 81.0 242 245 A P >> - 0 0 89 0, 0.0 3,-1.7 0, 0.0 4,-0.7 -0.012 55.4 -78.9 -59.9 158.8 46.3 12.4 82.6 243 246 A A T 34 S+ 0 0 97 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.332 116.0 2.6 -56.0 124.2 50.0 12.0 82.8 244 247 A D T 3> S+ 0 0 105 -3,-0.1 4,-2.6 -2,-0.1 -1,-0.3 0.287 98.2 108.0 84.7 -12.8 51.4 10.8 79.6 245 248 A A H <> S+ 0 0 25 -3,-1.7 4,-2.2 2,-0.2 5,-0.2 0.948 87.3 40.3 -63.0 -48.1 48.1 10.9 77.7 246 249 A L H X S+ 0 0 23 -4,-0.7 4,-2.9 1,-0.2 -1,-0.2 0.908 115.5 52.3 -66.9 -40.4 49.1 14.0 75.7 247 250 A E H > S+ 0 0 69 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.915 110.0 48.1 -59.3 -42.4 52.7 12.6 75.3 248 251 A R H X>S+ 0 0 106 -4,-2.6 4,-2.2 2,-0.2 5,-2.2 0.874 112.1 48.5 -71.1 -38.5 51.4 9.3 73.9 249 252 A I H <>S+ 0 0 7 -4,-2.2 5,-2.4 3,-0.2 -2,-0.2 0.943 115.2 47.0 -58.1 -51.7 49.0 11.1 71.5 250 253 A Q H <5S+ 0 0 22 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.882 126.3 24.8 -57.5 -43.7 52.0 13.4 70.4 251 254 A T H <5S+ 0 0 76 -4,-2.6 -3,-0.2 -5,-0.2 -1,-0.2 0.719 136.1 13.0-102.7 -24.3 54.6 10.6 69.9 252 255 A K T X5S+ 0 0 66 -4,-2.2 4,-2.3 -5,-0.3 -3,-0.2 0.770 120.0 39.5-116.2 -63.7 52.6 7.4 69.2 253 256 A Y H > S+ 0 0 51 0, 0.0 4,-2.7 0, 0.0 -2,-0.2 0.895 110.4 52.1 -52.9 -34.8 51.9 9.6 64.2 256 259 A E H X S+ 0 0 81 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.881 108.6 49.4 -67.6 -36.5 50.4 6.1 63.9 257 260 A F H X S+ 0 0 1 -4,-1.7 4,-2.7 -3,-0.2 5,-0.3 0.934 112.2 49.1 -65.9 -43.8 47.2 7.7 62.4 258 261 A I H X S+ 0 0 13 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.930 109.4 52.2 -59.8 -45.7 49.3 9.7 60.0 259 262 A A H < S+ 0 0 87 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.891 117.5 37.9 -60.0 -39.4 51.3 6.6 59.0 260 263 A Q H < S+ 0 0 118 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.841 130.1 23.3 -76.1 -39.1 48.1 4.7 58.2 261 264 A Y H >< S+ 0 0 37 -4,-2.7 3,-2.0 -5,-0.2 60,-0.6 0.441 85.8 94.1-123.5 0.6 45.9 7.4 56.6 262 265 A D T 3< S+ 0 0 6 -4,-2.2 336,-1.4 -5,-0.3 337,-0.2 0.739 90.7 55.2 -69.6 -14.7 48.0 10.3 55.2 263 266 A G T 3 S+ 0 0 24 -5,-0.2 681,-0.6 334,-0.2 2,-0.5 0.198 93.3 88.6 -96.1 14.4 47.8 8.4 51.9 264 267 A L B < S-U 943 0K 19 -3,-2.0 57,-2.9 679,-0.1 58,-0.3 -0.958 70.2-141.3-115.4 123.8 44.0 8.3 52.0 265 268 A T B > -V 320 0L 0 677,-0.6 4,-2.4 -2,-0.5 55,-0.2 -0.443 23.1-116.6 -76.3 157.3 41.9 11.2 50.6 266 269 A L H > S+ 0 0 0 53,-2.5 4,-2.8 50,-0.3 5,-0.2 0.939 117.9 52.2 -55.7 -45.8 38.7 12.5 52.2 267 270 A G H > S+ 0 0 4 50,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.901 109.1 49.1 -60.1 -38.8 36.7 11.4 49.2 268 271 A A H > S+ 0 0 5 49,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.898 111.2 50.2 -64.7 -42.3 38.2 7.9 49.4 269 272 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.931 109.2 51.2 -63.4 -45.3 37.3 7.7 53.1 270 273 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.954 110.5 49.1 -57.2 -48.2 33.7 8.8 52.4 271 274 A R H X S+ 0 0 28 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.882 109.5 51.6 -61.7 -38.8 33.4 6.1 49.7 272 275 A E H X S+ 0 0 93 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.918 113.0 45.8 -63.7 -43.7 34.8 3.3 52.1 273 276 A I H X S+ 0 0 7 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.930 114.4 47.2 -63.1 -46.8 32.3 4.3 54.8 274 277 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.900 109.8 54.0 -63.3 -39.7 29.4 4.5 52.4 275 278 A T H X S+ 0 0 35 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.926 110.4 45.5 -63.3 -47.2 30.3 1.1 50.8 276 279 A V H X S+ 0 0 73 -4,-2.0 4,-2.1 1,-0.2 6,-0.2 0.927 114.4 48.5 -62.2 -44.8 30.3 -0.7 54.2 277 280 A A H X>S+ 0 0 10 -4,-2.4 5,-1.8 1,-0.2 6,-1.4 0.867 112.0 49.2 -65.6 -35.8 27.0 1.0 55.2 278 281 A F H ><5S+ 0 0 26 -4,-2.6 3,-0.6 4,-0.2 -1,-0.2 0.925 111.4 48.5 -67.5 -44.6 25.4 0.0 51.9 279 282 A E H 3<5S+ 0 0 150 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.832 112.0 50.5 -63.8 -31.4 26.6 -3.6 52.2 280 283 A K H 3<5S- 0 0 171 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.650 115.0-118.5 -81.3 -17.5 25.2 -3.6 55.8 281 284 A G T <<5S+ 0 0 53 -4,-0.8 -3,-0.2 -3,-0.6 -2,-0.1 0.461 82.3 121.0 92.6 3.2 21.9 -2.3 54.7 282 285 A T S - 0 0 64 -2,-0.1 4,-2.6 -6,-0.1 -5,-0.2 -0.130 35.9 -89.3 -76.6 177.0 22.7 -0.7 40.5 292 295 A V H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.928 126.9 43.6 -59.8 -50.5 24.9 -1.2 43.5 293 296 A D H > S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.880 114.0 51.5 -64.9 -36.9 27.8 1.0 42.3 294 297 A E H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.875 110.8 48.7 -64.8 -40.3 25.4 3.7 41.1 295 298 A S H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.940 113.2 45.3 -62.2 -51.5 23.7 3.7 44.5 296 299 A I H X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.927 114.9 50.0 -57.5 -48.0 27.0 4.0 46.4 297 300 A S H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 5,-0.2 0.905 108.3 52.3 -61.7 -41.0 28.2 6.7 44.0 298 301 A Y H X S+ 0 0 7 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.952 111.6 46.7 -59.1 -46.1 25.0 8.6 44.4 299 302 A Y H X S+ 0 0 4 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.895 111.0 51.8 -63.5 -40.3 25.4 8.6 48.2 300 303 A V H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.921 115.6 41.5 -62.1 -44.0 29.1 9.6 48.0 301 304 A E H X S+ 0 0 6 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.824 111.7 55.0 -74.6 -33.4 28.2 12.5 45.8 302 305 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 3,-0.3 0.960 112.1 43.9 -60.5 -52.0 25.1 13.4 47.8 303 306 A F H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 10,-0.5 0.901 108.0 62.0 -55.2 -42.0 27.3 13.6 50.9 304 307 A G H < S+ 0 0 0 -4,-2.0 10,-3.0 -5,-0.3 9,-0.9 0.897 109.4 37.9 -55.4 -42.8 29.8 15.5 48.9 305 308 A R H < S+ 0 0 7 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.813 122.0 44.7 -79.9 -27.7 27.4 18.3 48.2 306 309 A F H ><>S+ 0 0 1 -4,-1.9 3,-1.8 1,-0.2 5,-0.9 0.823 78.5 177.7 -79.7 -34.1 25.9 18.3 51.7 307 310 A G T 3<5S- 0 0 0 -4,-3.2 -1,-0.2 1,-0.3 5,-0.2 -0.413 71.7 -36.9 57.4-145.0 29.0 18.0 53.8 308 311 A F T 3 5S- 0 0 1 3,-0.4 -300,-0.4 -2,-0.1 -1,-0.3 0.248 105.9 -78.2 -89.1 9.6 28.1 18.0 57.5 309 312 A G T < 5S+ 0 0 0 -3,-1.8 -2,-0.2 2,-0.4 -123,-0.1 0.352 118.4 85.5 109.6 0.2 25.4 20.6 56.7 310 313 A T T 5S- 0 0 17 1,-0.5 2,-0.2 -307,-0.2 -307,-0.1 0.040 109.6 -48.3-113.6 25.1 27.2 23.8 56.3 311 314 A G S + 0 0 4 -9,-0.9 3,-2.3 -10,-0.5 -8,-0.2 0.477 68.7 102.6 -98.2 -9.1 33.0 18.9 51.1 314 317 A K G > S+ 0 0 18 -10,-3.0 3,-2.0 1,-0.3 4,-0.2 0.853 78.7 51.8 -41.0 -53.1 33.1 17.6 47.5 315 318 A P G 3 S+ 0 0 11 0, 0.0 216,-0.4 0, 0.0 3,-0.3 0.710 110.8 50.5 -64.6 -14.1 35.6 20.3 46.3 316 319 A L G X S+ 0 0 6 -3,-2.3 3,-2.1 1,-0.2 -50,-0.3 0.181 75.0 114.1-100.1 11.5 37.8 19.3 49.3 317 320 A Y T < S+ 0 0 13 -3,-2.0 -50,-2.8 1,-0.3 -49,-0.4 0.692 70.3 59.2 -59.9 -20.3 37.7 15.5 48.5 318 321 A N T 3 S+ 0 0 22 -3,-0.3 279,-0.8 -52,-0.2 -1,-0.3 0.516 79.4 108.7 -86.5 -9.6 41.4 15.4 47.7 319 322 A I B < S-W 596 0M 1 -3,-2.1 -53,-2.5 277,-0.2 277,-0.3 -0.320 82.4 -96.1 -64.5 152.3 42.6 16.6 51.0 320 323 A S B > -V 265 0L 0 275,-2.4 4,-2.0 -55,-0.2 3,-0.4 -0.436 23.4-125.7 -62.5 144.4 44.3 14.0 53.2 321 324 A L H > S+ 0 0 0 -57,-2.9 4,-2.8 -60,-0.6 5,-0.2 0.847 113.6 61.8 -55.9 -32.4 42.0 12.3 55.8 322 325 A V H > S+ 0 0 0 -61,-0.5 4,-1.8 -58,-0.3 -1,-0.2 0.920 103.7 46.7 -58.6 -44.7 44.7 13.5 58.3 323 326 A E H > S+ 0 0 5 -3,-0.4 4,-1.3 2,-0.2 -2,-0.2 0.932 113.1 47.9 -67.1 -45.7 44.0 17.1 57.4 324 327 A M H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 3,-0.3 0.902 108.9 56.3 -57.5 -41.8 40.2 16.6 57.7 325 328 A M H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.843 99.8 57.7 -64.5 -35.5 40.7 14.9 61.0 326 329 A R H X S+ 0 0 3 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.916 110.6 44.5 -53.3 -45.7 42.5 17.9 62.4 327 330 A L H < S+ 0 0 13 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.882 110.1 54.8 -71.3 -36.2 39.4 19.9 61.7 328 331 A I H < S+ 0 0 4 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.909 109.4 47.4 -60.7 -43.8 37.2 17.1 63.1 329 332 A L H < S+ 0 0 2 -4,-2.6 2,-2.3 1,-0.2 -1,-0.2 0.819 97.4 72.2 -65.2 -33.6 39.1 17.2 66.4 330 333 A W S < S- 0 0 2 -4,-1.4 -1,-0.2 -5,-0.2 -326,-0.2 -0.429 84.1-174.6 -81.6 63.8 38.9 21.0 66.6 331 334 A D + 0 0 81 -2,-2.3 2,-0.3 -3,-0.1 -326,-0.1 -0.353 16.2 145.7 -80.1 140.0 35.2 20.8 67.4 332 335 A Y - 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