==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 13-OCT-05 2B9W . COMPND 2 MOLECULE: PUTATIVE AMINOOXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PROPIONIBACTERIUM ACNES; . AUTHOR M.G.RUDOLPH,A.LIAVONCHANKA . 423 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 12.5 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 . 2 0.5 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-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 . 32 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 1 0 4 0 1 1 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 0 3 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 1 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 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 2 A S 0 0 123 0, 0.0 2,-0.3 0, 0.0 422,-0.2 0.000 360.0 360.0 360.0 -19.9 51.6 62.4 22.1 2 3 A I - 0 0 35 420,-2.1 2,-0.3 4,-0.0 419,-0.0 -0.989 360.0-107.5-124.1 144.3 55.4 62.4 22.6 3 4 A S > - 0 0 55 -2,-0.3 3,-2.7 1,-0.1 420,-0.0 -0.530 15.8-134.5 -78.4 134.4 57.5 65.5 21.9 4 5 A K T 3 S+ 0 0 106 1,-0.3 27,-0.5 -2,-0.3 26,-0.5 0.691 104.5 61.8 -56.3 -26.2 59.7 65.5 18.8 5 6 A D T 3 S+ 0 0 113 24,-0.1 -1,-0.3 25,-0.1 -2,-0.1 0.532 78.4 124.9 -76.3 -9.6 62.6 66.9 20.9 6 7 A S < - 0 0 10 -3,-2.7 2,-0.9 1,-0.1 25,-0.3 -0.216 66.9-123.4 -59.2 140.4 62.7 63.8 23.1 7 8 A R - 0 0 80 23,-0.1 240,-2.5 25,-0.1 241,-2.2 -0.769 34.5-164.3 -83.1 105.2 65.9 61.9 23.5 8 9 A I E -ab 32 248A 2 23,-2.4 25,-2.6 -2,-0.9 2,-0.6 -0.844 10.7-161.1-102.8 118.1 65.0 58.4 22.4 9 10 A A E -ab 33 249A 1 239,-3.0 241,-3.0 -2,-0.6 2,-0.5 -0.878 6.7-166.4 -97.5 118.7 67.2 55.4 23.2 10 11 A I E -ab 34 250A 0 23,-3.5 25,-2.9 -2,-0.6 2,-0.7 -0.917 10.2-148.6-105.9 122.5 66.5 52.4 21.0 11 12 A I E +ab 35 251A 5 239,-2.9 241,-2.0 -2,-0.5 25,-0.2 -0.873 62.9 27.7-100.6 115.7 68.0 49.2 22.3 12 13 A G - 0 0 6 23,-2.7 24,-0.2 -2,-0.7 23,-0.1 0.309 58.9-138.6 111.4 130.1 69.0 46.6 19.6 13 14 A A + 0 0 0 27,-0.2 29,-2.6 4,-0.2 30,-0.3 -0.187 64.2 116.5-109.8 39.8 70.0 47.1 15.9 14 15 A G S > S- 0 0 14 28,-0.2 4,-2.6 27,-0.2 5,-0.3 -0.228 92.9 -75.9 -78.3-174.8 68.1 44.2 14.5 15 16 A P H > S+ 0 0 15 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.874 133.1 54.9 -50.8 -39.5 65.3 44.7 12.1 16 17 A A H > S+ 0 0 9 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.930 113.1 39.0 -68.0 -42.0 63.0 45.9 14.9 17 18 A G H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.893 116.1 50.7 -76.0 -39.7 65.3 48.7 16.2 18 19 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.920 112.1 48.9 -60.2 -41.4 66.4 49.8 12.8 19 20 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 5,-0.3 0.902 108.6 53.3 -67.6 -38.2 62.8 50.0 11.8 20 21 A A H X S+ 0 0 2 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.950 110.9 46.6 -59.1 -49.2 62.0 52.0 15.0 21 22 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.911 112.9 50.0 -57.2 -44.9 64.7 54.4 14.1 22 23 A M H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.934 116.1 39.8 -59.2 -51.1 63.5 54.6 10.5 23 24 A Y H X S+ 0 0 15 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.851 115.0 51.8 -76.7 -32.8 59.8 55.3 11.4 24 25 A L H ><>S+ 0 0 2 -4,-2.8 5,-2.4 -5,-0.3 3,-0.8 0.973 112.8 46.8 -59.2 -51.9 60.7 57.6 14.3 25 26 A E H ><5S+ 0 0 31 -4,-2.5 3,-1.7 -5,-0.3 -2,-0.2 0.903 110.3 51.2 -56.7 -47.3 62.9 59.6 11.9 26 27 A Q H 3<5S+ 0 0 102 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.731 108.3 54.1 -67.3 -19.0 60.2 59.7 9.2 27 28 A A T <<5S- 0 0 27 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.330 128.1 -96.6 -91.1 0.3 57.7 61.0 11.9 28 29 A G T < 5S+ 0 0 21 -3,-1.7 2,-1.1 -4,-0.2 -3,-0.2 0.546 82.4 133.0 97.1 9.5 60.0 63.9 12.8 29 30 A F < + 0 0 0 -5,-2.4 3,-0.2 -6,-0.2 -1,-0.2 -0.775 21.4 164.3 -92.5 93.5 61.7 62.4 15.9 30 31 A H + 0 0 94 -2,-1.1 2,-0.4 -26,-0.5 -1,-0.2 0.468 53.9 75.6 -93.5 -3.9 65.3 63.3 15.0 31 32 A D + 0 0 74 -27,-0.5 -23,-2.4 -25,-0.3 2,-0.3 -0.422 65.3 128.1-110.4 58.7 67.0 62.7 18.4 32 33 A Y E -a 8 0A 1 -2,-0.4 2,-0.4 -3,-0.2 -23,-0.2 -0.798 38.3-161.5-106.3 156.1 67.2 58.9 18.6 33 34 A T E -a 9 0A 44 -25,-2.6 -23,-3.5 -2,-0.3 2,-0.5 -0.998 7.7-150.9-134.7 130.8 70.1 56.7 19.3 34 35 A I E -a 10 0A 2 -2,-0.4 186,-3.0 183,-0.3 2,-0.6 -0.913 11.7-159.3-101.5 125.8 70.3 53.0 18.5 35 36 A L E -ac 11 220A 4 -25,-2.9 -23,-2.7 -2,-0.5 2,-0.4 -0.938 9.8-175.5-113.2 118.5 72.5 51.0 20.8 36 37 A E - 0 0 20 184,-2.9 187,-2.7 -2,-0.6 5,-0.0 -0.942 19.8-154.0-118.4 133.2 73.8 47.6 19.6 37 38 A R S S+ 0 0 204 -2,-0.4 -1,-0.1 185,-0.2 184,-0.1 0.854 75.3 57.1 -71.6 -43.4 75.8 45.2 21.6 38 39 A T S S- 0 0 48 2,-0.3 184,-2.7 184,-0.1 185,-0.3 -0.196 92.5-104.4 -82.8-179.6 77.7 43.4 18.8 39 40 A D S S+ 0 0 103 182,-0.2 2,-0.3 183,-0.1 182,-0.1 0.477 97.4 56.5 -74.6 -11.9 80.0 44.7 16.0 40 41 A H - 0 0 40 3,-0.0 2,-0.3 181,-0.0 -2,-0.3 -0.800 68.9-132.0-131.3 163.7 77.2 44.3 13.4 41 42 A V S S+ 0 0 1 -2,-0.3 -27,-0.2 1,-0.1 168,-0.2 -0.813 74.9 57.3-114.2 159.3 73.7 45.3 12.4 42 43 A G S > S- 0 0 0 -29,-2.6 3,-2.6 -2,-0.3 -28,-0.2 0.154 72.7-152.1 108.5 -12.1 70.7 43.1 11.2 43 44 A G T 3 S+ 0 0 24 -30,-0.3 -29,-0.1 1,-0.3 162,-0.0 -0.249 79.9 7.3 54.2-117.6 70.6 40.8 14.2 44 45 A K T 3 S+ 0 0 51 1,-0.1 15,-2.1 14,-0.1 2,-1.0 0.435 114.0 85.4 -80.1 -0.7 69.1 37.4 13.2 45 46 A C < + 0 0 4 -3,-2.6 2,-0.4 13,-0.2 -1,-0.1 -0.903 67.5 160.7 -90.4 97.0 69.3 38.5 9.5 46 47 A H + 0 0 32 -2,-1.0 11,-3.0 13,-0.2 12,-0.9 -0.949 21.0 176.8-137.1 111.5 72.9 37.4 9.4 47 48 A S - 0 0 0 -2,-0.4 9,-0.2 9,-0.2 -2,-0.0 -0.744 10.2-170.5-127.6 79.9 74.6 36.8 6.0 48 49 A P - 0 0 22 0, 0.0 7,-2.4 0, 0.0 2,-0.3 -0.169 22.9-109.0 -70.6 166.9 78.3 35.9 6.2 49 50 A N E +E 54 0B 116 5,-0.2 2,-0.3 3,-0.0 5,-0.2 -0.688 34.1 168.3 -96.2 148.6 80.7 35.6 3.2 50 51 A Y E > S-E 53 0B 50 3,-2.5 3,-1.6 -2,-0.3 273,-0.1 -0.850 70.9 -18.7-159.5 119.1 82.2 32.5 1.8 51 52 A H T 3 S- 0 0 130 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.876 128.2 -45.3 49.3 47.5 84.1 32.3 -1.5 52 53 A G T 3 S+ 0 0 81 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.451 123.6 80.4 86.7 0.5 82.8 35.5 -2.9 53 54 A R E < S-E 50 0B 66 -3,-1.6 -3,-2.5 149,-0.0 2,-0.4 -0.939 73.9-116.0-134.7 161.0 79.1 35.0 -2.0 54 55 A R E -E 49 0B 31 147,-0.6 2,-0.2 -2,-0.3 -5,-0.2 -0.785 24.3-168.0 -99.6 137.0 76.9 35.5 1.0 55 56 A Y - 0 0 11 -7,-2.4 2,-0.6 -2,-0.4 269,-0.1 -0.681 26.5-108.6-111.3 169.0 75.1 32.6 2.8 56 57 A E + 0 0 1 -2,-0.2 -9,-0.2 -9,-0.2 4,-0.1 -0.917 30.6 173.0-108.4 119.8 72.4 32.8 5.4 57 58 A M S S+ 0 0 0 -11,-3.0 -10,-0.2 -2,-0.6 -1,-0.1 0.574 84.3 6.1 -89.4 -14.1 73.1 31.9 9.1 58 59 A G S S+ 0 0 16 -12,-0.9 -13,-0.2 1,-0.4 -2,-0.1 -0.065 118.6 19.9-131.3-125.0 69.6 33.3 10.0 59 60 A A + 0 0 29 -15,-2.1 145,-0.5 1,-0.1 -1,-0.4 -0.165 49.9 168.8 -58.4 140.8 66.7 34.6 8.0 60 61 A I + 0 0 20 1,-0.2 140,-0.5 143,-0.1 2,-0.3 0.681 50.4 30.2-114.0 -42.9 66.5 33.7 4.3 61 62 A M - 0 0 20 138,-0.1 2,-0.2 143,-0.0 -1,-0.2 -0.819 41.8-175.4-137.4 161.1 63.1 34.6 2.8 62 63 A G B -F 198 0C 0 136,-1.5 136,-2.5 -2,-0.3 0, 0.0 -0.771 24.5-120.9-138.0-177.2 60.0 36.8 2.7 63 64 A V > - 0 0 0 134,-0.2 3,-2.4 -2,-0.2 134,-0.2 -0.903 33.1-103.1-129.0 157.6 56.6 36.8 0.8 64 65 A P T 3 S+ 0 0 51 0, 0.0 6,-0.1 0, 0.0 133,-0.1 0.706 117.5 64.1 -56.5 -21.8 55.1 39.5 -1.4 65 66 A S T 3 + 0 0 45 1,-0.1 2,-2.2 122,-0.0 3,-0.2 0.287 66.5 110.6 -83.8 6.7 52.8 40.7 1.4 66 67 A Y <> + 0 0 9 -3,-2.4 4,-2.2 1,-0.2 3,-0.2 -0.482 41.9 165.2 -75.6 67.6 55.8 41.8 3.5 67 68 A D H > + 0 0 109 -2,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.850 67.7 52.1 -63.2 -34.8 54.6 45.4 2.9 68 69 A T H > S+ 0 0 5 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 108.8 50.0 -71.0 -38.9 56.9 46.9 5.6 69 70 A I H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.893 107.9 54.9 -66.6 -37.7 60.0 45.2 4.2 70 71 A Q H X S+ 0 0 74 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.925 106.3 51.4 -55.6 -43.4 59.0 46.6 0.8 71 72 A E H X S+ 0 0 70 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.890 109.9 49.6 -62.0 -39.6 58.9 50.1 2.4 72 73 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.956 111.2 48.2 -61.9 -49.3 62.4 49.4 3.8 73 74 A M H X S+ 0 0 4 -4,-3.0 4,-2.7 1,-0.2 5,-0.5 0.840 107.0 57.0 -58.0 -37.6 63.7 48.3 0.4 74 75 A D H < S+ 0 0 111 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.896 111.5 44.1 -58.9 -40.9 62.1 51.5 -1.2 75 76 A R H < S+ 0 0 62 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.861 121.0 37.5 -71.0 -38.0 64.2 53.5 1.2 76 77 A T H < S- 0 0 27 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.730 100.8-123.5 -91.2 -23.2 67.4 51.6 0.7 77 78 A G < + 0 0 54 -4,-2.7 -3,-0.1 1,-0.3 -4,-0.1 0.473 60.2 146.7 86.4 4.6 67.2 50.8 -3.0 78 79 A D - 0 0 26 -5,-0.5 2,-0.3 -6,-0.2 -1,-0.3 -0.318 31.7-154.5 -69.5 156.0 67.5 47.1 -2.4 79 80 A K - 0 0 150 -3,-0.1 2,-0.9 -2,-0.0 128,-0.0 -0.954 28.3-106.2-132.0 152.8 65.7 44.6 -4.7 80 81 A V + 0 0 59 -2,-0.3 120,-0.2 1,-0.2 118,-0.0 -0.689 64.2 141.2 -76.2 104.3 64.5 41.0 -4.3 81 82 A D + 0 0 82 -2,-0.9 119,-0.3 118,-0.5 -1,-0.2 0.166 22.1 118.8-139.2 15.5 67.2 39.4 -6.4 82 83 A G S S- 0 0 23 117,-2.3 117,-0.2 1,-0.2 119,-0.1 -0.305 70.7 -69.7 -86.6 174.7 68.3 36.1 -4.8 83 84 A P - 0 0 37 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.262 56.9 -99.1 -64.7 146.8 68.1 32.5 -6.1 84 85 A K - 0 0 166 -3,-0.1 2,-0.3 1,-0.1 114,-0.1 -0.402 35.8-126.3 -64.3 133.6 64.8 30.8 -6.5 85 86 A L + 0 0 33 110,-0.2 2,-0.3 112,-0.2 112,-0.1 -0.667 34.1 170.5 -81.3 138.7 63.8 28.5 -3.7 86 87 A R - 0 0 165 -2,-0.3 208,-1.6 228,-0.2 2,-0.3 -0.982 7.6-173.0-142.6 153.1 62.8 24.9 -4.6 87 88 A R E -g 294 0D 85 -2,-0.3 2,-0.3 206,-0.2 208,-0.2 -0.985 16.3-162.9-148.4 154.7 62.2 22.0 -2.3 88 89 A E E -g 295 0D 42 206,-2.1 208,-2.4 -2,-0.3 2,-0.4 -0.894 26.3-120.4-127.3 160.6 61.5 18.3 -2.1 89 90 A F E -gH 296 97D 11 8,-0.7 8,-2.4 -2,-0.3 2,-0.4 -0.884 26.9-171.3-105.2 134.6 60.1 16.2 0.8 90 91 A L E - H 0 96D 3 206,-3.0 209,-0.5 -2,-0.4 6,-0.2 -0.935 19.3-129.5-120.3 145.5 62.0 13.4 2.4 91 92 A H > - 0 0 62 4,-2.7 3,-2.6 -2,-0.4 6,-0.0 -0.420 42.9 -97.2 -78.2 167.6 61.1 10.7 4.9 92 93 A E T 3 S+ 0 0 63 1,-0.3 -1,-0.1 2,-0.1 261,-0.1 0.696 127.6 58.5 -63.0 -17.9 63.4 10.2 7.9 93 94 A D T 3 S- 0 0 95 2,-0.1 -1,-0.3 261,-0.0 -2,-0.0 0.344 121.8-108.4 -85.4 2.9 65.0 7.3 6.0 94 95 A G S < S+ 0 0 17 -3,-2.6 2,-0.2 1,-0.3 -2,-0.1 0.383 71.1 143.1 84.2 -2.5 65.9 9.8 3.2 95 96 A E - 0 0 126 1,-0.1 -4,-2.7 -5,-0.1 2,-0.3 -0.503 52.1-119.9 -73.1 138.1 63.4 8.4 0.6 96 97 A I E +H 90 0D 109 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.600 36.2 177.4 -78.1 131.6 61.7 11.1 -1.6 97 98 A Y E -H 89 0D 55 -8,-2.4 -8,-0.7 -2,-0.3 3,-0.1 -0.921 27.9-141.2-130.6 163.0 58.0 11.4 -1.3 98 99 A V > + 0 0 68 -2,-0.3 3,-1.6 1,-0.1 4,-0.1 -0.846 16.9 179.0-123.4 83.7 55.4 13.8 -2.9 99 100 A P G > S+ 0 0 43 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.817 79.4 67.6 -61.6 -26.6 52.7 14.6 -0.2 100 101 A E G 3 S+ 0 0 95 1,-0.3 -2,-0.0 -3,-0.1 0, 0.0 0.760 103.9 43.5 -59.1 -27.1 51.0 16.8 -2.8 101 102 A K G < S+ 0 0 169 -3,-1.6 -1,-0.3 5,-0.1 -3,-0.0 0.137 76.2 124.7-111.7 14.6 50.1 13.7 -4.9 102 103 A D <> - 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0 0 0 -2,-0.3 -1,-0.2 -93,-0.2 2,-0.2 0.875 62.8-154.1 43.3 67.2 61.0 32.9 18.8 371 372 A P E + 0 0 5 0, 0.0 2,-0.3 0, 0.0 -94,-0.2 -0.500 35.8 139.3 -62.4 132.1 60.4 34.4 22.3 372 373 A H E -I 276 0D 2 -96,-3.1 -96,-3.2 -2,-0.2 2,-0.3 -0.888 45.1-107.4-154.8-175.2 56.8 33.7 23.2 373 374 A V - 0 0 0 -2,-0.3 -98,-0.1 -98,-0.2 -99,-0.0 -0.944 35.7 -98.7-125.6 154.3 54.4 32.6 26.0 374 375 A S > - 0 0 36 -100,-0.4 4,-2.9 -2,-0.3 5,-0.2 -0.125 35.9-107.3 -58.8 159.1 52.5 29.4 26.7 375 376 A S H > S+ 0 0 16 -201,-0.5 4,-3.0 2,-0.2 5,-0.2 0.907 121.9 53.8 -53.0 -45.2 48.8 29.0 25.9 376 377 A E H > S+ 0 0 153 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.953 111.6 43.7 -58.4 -48.8 48.1 29.3 29.7 377 378 A D H 4>S+ 0 0 33 1,-0.2 5,-1.9 2,-0.2 -2,-0.2 0.905 114.8 49.7 -65.9 -37.4 49.9 32.6 30.0 378 379 A Y H ><5S+ 0 0 11 -4,-2.9 3,-1.7 1,-0.2 5,-0.3 0.939 111.8 47.7 -63.2 -49.6 48.4 33.9 26.8 379 380 A K H 3<5S+ 0 0 125 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.867 104.6 61.8 -60.3 -37.4 44.9 32.9 28.0 380 381 A A T 3<5S- 0 0 80 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.412 125.9 -99.8 -72.0 -0.8 45.6 34.6 31.4 381 382 A G T <>5 + 0 0 13 -3,-1.7 4,-2.2 -4,-0.1 3,-0.5 0.677 64.0 157.5 97.3 22.1 46.0 37.9 29.6 382 383 A W H > S+ 0 0 6 -5,-0.3 4,-2.4 2,-0.2 5,-0.3 0.826 108.4 56.0 -76.4 -33.3 49.5 40.7 26.2 384 385 A E H > S+ 0 0 120 -3,-0.5 4,-1.3 2,-0.2 -2,-0.2 0.929 113.7 43.4 -59.2 -44.5 46.7 42.8 27.8 385 386 A K H X S+ 0 0 65 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.964 117.5 42.0 -63.7 -53.5 49.0 43.4 30.8 386 387 A V H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.3 4,-0.3 0.925 115.5 48.8 -69.6 -42.0 52.2 44.1 28.9 387 388 A E H >< S+ 0 0 19 -4,-2.4 3,-1.1 1,-0.3 -1,-0.3 0.831 107.0 58.0 -64.4 -30.3 50.6 46.3 26.3 388 389 A G H 3< S+ 0 0 64 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.708 100.8 58.7 -69.8 -20.7 48.8 48.1 29.1 389 390 A M T X< S+ 0 0 3 -3,-1.0 3,-2.3 -4,-0.9 -1,-0.2 0.533 74.5 126.9 -81.6 -7.4 52.3 48.9 30.4 390 391 A Q T < S+ 0 0 20 -3,-1.1 6,-0.2 -4,-0.3 3,-0.1 -0.309 79.0 15.1 -55.5 126.9 53.4 50.7 27.2 391 392 A G T > S+ 0 0 25 4,-2.7 3,-2.6 1,-0.3 -1,-0.3 0.136 84.3 146.6 95.7 -18.8 54.8 54.1 28.2 392 393 A R G X S- 0 0 89 -3,-2.3 3,-1.4 1,-0.3 -1,-0.3 -0.344 85.6 -6.2 -58.9 128.5 55.2 53.3 31.9 393 394 A R G 3 S- 0 0 85 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.859 128.9 -67.2 41.2 45.5 58.2 55.3 33.1 394 395 A N G < S+ 0 0 56 -3,-2.6 -145,-3.1 1,-0.2 2,-0.4 0.725 101.9 135.1 56.9 30.0 58.7 56.2 29.4 395 396 A T E < -d 249 0A 0 -3,-1.4 -4,-2.7 -6,-0.2 2,-0.4 -0.907 35.1-167.0-111.0 132.0 59.6 52.6 28.4 396 397 A F E -d 250 0A 11 -147,-2.7 -145,-2.7 -2,-0.4 2,-0.5 -0.956 11.4-141.9-120.8 144.0 58.1 51.0 25.3 397 398 A Y E +d 251 0A 1 -2,-0.4 2,-0.2 -147,-0.2 -145,-0.1 -0.898 35.7 137.1-111.5 131.0 58.2 47.3 24.5 398 399 A A + 0 0 1 -147,-2.0 3,-0.3 -2,-0.5 4,-0.3 -0.658 19.6 82.2-147.8-157.4 58.7 46.0 21.1 399 400 A G S > S- 0 0 2 11,-0.3 3,-0.6 -2,-0.2 4,-0.4 -0.370 95.6 -29.4 77.0-163.5 60.6 43.3 19.1 400 401 A E G > S+ 0 0 38 -148,-0.3 3,-1.5 1,-0.2 -1,-0.2 0.842 129.6 56.6 -63.2 -43.6 59.8 39.6 18.6 401 402 A I G 3 S+ 0 0 5 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.842 105.8 53.5 -59.0 -34.6 57.9 38.9 21.9 402 403 A M G < S- 0 0 0 -3,-0.6 -270,-0.6 -4,-0.3 -1,-0.3 0.556 132.4 -2.3 -80.1 -8.6 55.4 41.7 21.1 403 404 A S S < S- 0 0 0 -3,-1.5 2,-0.3 -4,-0.4 -3,-0.1 0.230 110.8 -53.4-140.6 -89.4 54.5 40.4 17.7 404 405 A F - 0 0 0 2,-0.2 2,-2.1 -5,-0.1 6,-0.2 -0.959 48.9 -99.1-162.1 152.8 56.1 37.3 16.1 405 406 A G S S+ 0 0 3 -2,-0.3 2,-0.3 -34,-0.1 -35,-0.1 -0.346 85.9 98.6 -79.3 59.8 59.7 36.1 15.4 406 407 A N S > S- 0 0 12 -2,-2.1 4,-1.9 -6,-0.1 -2,-0.2 -0.962 78.1-119.0-137.7 157.8 59.9 37.1 11.7 407 408 A F H > S+ 0 0 13 -2,-0.3 4,-1.7 1,-0.2 5,-0.2 0.834 109.8 48.9 -73.1 -29.1 61.5 40.2 10.2 408 409 A D H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.940 110.4 51.2 -72.6 -47.3 58.3 41.7 8.6 409 410 A E H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.914 112.8 45.1 -55.2 -45.7 56.2 41.3 11.8 410 411 A V H X S+ 0 0 7 -4,-1.9 4,-2.3 -6,-0.2 -11,-0.3 0.891 114.4 47.8 -70.3 -35.8 58.7 43.1 14.0 411 412 A C H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.904 111.9 50.2 -69.2 -41.3 59.3 45.9 11.5 412 413 A H H X S+ 0 0 58 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.911 110.2 51.5 -58.1 -44.7 55.6 46.4 11.1 413 414 A Y H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.915 109.7 48.3 -61.6 -48.6 55.2 46.5 14.9 414 415 A S H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.922 109.8 52.9 -54.6 -48.7 57.9 49.2 15.2 415 416 A K H X S+ 0 0 57 -4,-2.7 4,-1.3 1,-0.2 3,-0.3 0.927 114.4 42.3 -50.8 -49.5 56.2 51.2 12.4 416 417 A D H X S+ 0 0 30 -4,-2.4 4,-3.2 1,-0.2 -1,-0.2 0.771 102.5 66.7 -73.6 -27.8 52.9 51.0 14.3 417 418 A L H X S+ 0 0 3 -4,-2.2 4,-1.9 1,-0.2 5,-0.5 0.884 103.3 48.9 -59.2 -38.2 54.6 51.7 17.8 418 419 A V H X>S+ 0 0 6 -4,-1.4 5,-2.3 -3,-0.3 4,-2.0 0.930 113.3 45.3 -63.2 -50.8 55.3 55.1 16.4 419 420 A T H <5S+ 0 0 84 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.888 116.1 47.0 -58.7 -45.2 51.8 55.7 15.2 420 421 A R H <5S+ 0 0 70 -4,-3.2 -1,-0.2 1,-0.1 -2,-0.2 0.831 132.6 7.0 -67.4 -39.4 50.2 54.3 18.4 421 422 A F H <5S+ 0 0 51 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.648 126.1 43.1-122.7 -23.0 52.3 56.2 21.0 422 423 A F T <5 0 0 1 -4,-2.0 -420,-2.1 -5,-0.5 -3,-0.2 0.893 360.0 360.0-104.7 -48.3 54.6 58.8 19.5 423 424 A V < 0 0 96 -5,-2.3 -420,-0.1 -422,-0.2 -395,-0.1 -0.258 360.0 360.0 -65.9 360.0 52.9 60.8 16.8