==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-MAR-08 3CHU . COMPND 2 MOLECULE: P-AMINOBENZOATE N-OXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES THIOLUTEUS; . AUTHOR H.ZHANG,J.S.BRUNZELLE,S.K.NAIR . 597 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25851.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 446 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 20 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 327 54.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 5 0 0 2 2 5 1 1 0 2 0 0 0 2 1 1 0 0 0 0 0 2 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 24 A G 0 0 101 0, 0.0 5,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 153.5 -9.3 13.6 26.9 2 25 A S > - 0 0 16 1,-0.1 4,-2.3 2,-0.1 5,-0.1 -0.255 360.0-153.9 -50.9 123.2 -6.5 14.9 29.1 3 26 A A H > S+ 0 0 79 2,-0.2 4,-2.5 1,-0.2 -1,-0.1 0.786 96.3 54.6 -72.8 -28.0 -6.1 18.7 28.6 4 27 A T H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.963 109.9 45.9 -63.9 -55.2 -2.4 18.5 29.7 5 28 A L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.923 113.2 51.8 -49.4 -49.0 -1.8 15.8 27.1 6 29 A G H X S+ 0 0 2 -4,-2.3 4,-1.8 2,-0.2 5,-0.2 0.924 110.5 46.7 -53.6 -51.3 -3.7 18.0 24.5 7 30 A R H X S+ 0 0 136 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.928 113.5 48.3 -59.9 -45.0 -1.6 21.0 25.3 8 31 A L H X S+ 0 0 12 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.820 110.6 51.9 -69.3 -29.1 1.7 19.1 25.1 9 32 A V H < S+ 0 0 4 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.844 112.4 43.7 -74.3 -36.0 0.7 17.4 21.8 10 33 A R H < S+ 0 0 157 -4,-1.8 4,-0.2 1,-0.2 -2,-0.2 0.822 116.3 48.9 -79.2 -30.6 -0.1 20.7 20.1 11 34 A A H >X S+ 0 0 19 -4,-2.0 4,-1.8 -5,-0.2 3,-1.0 0.608 85.2 93.1 -80.8 -15.7 3.0 22.3 21.5 12 35 A W H 3X S+ 0 0 0 -4,-0.8 4,-2.9 1,-0.2 7,-0.2 0.850 78.5 56.6 -51.4 -47.3 5.4 19.5 20.4 13 36 A P H 34 S+ 0 0 24 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.837 114.6 39.1 -56.7 -31.6 6.5 21.0 17.0 14 37 A R H <4 S+ 0 0 169 -3,-1.0 -2,-0.2 -4,-0.2 -3,-0.1 0.767 123.2 40.6 -87.4 -28.8 7.7 24.2 18.7 15 38 A R H < S+ 0 0 27 -4,-1.8 -3,-0.2 -7,-0.1 -1,-0.1 0.827 86.5 105.3 -87.7 -36.6 9.2 22.5 21.7 16 39 A A >X - 0 0 0 -4,-2.9 4,-1.8 -5,-0.2 3,-0.5 -0.215 58.1-147.9 -66.3 130.8 10.9 19.4 20.4 17 40 A A H 3> S+ 0 0 2 177,-0.3 4,-2.9 1,-0.2 -1,-0.1 0.898 99.8 59.0 -52.3 -42.2 14.8 19.2 20.1 18 41 A V H 34 S+ 0 0 0 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.843 111.1 39.8 -59.7 -34.5 14.4 16.9 17.0 19 42 A V H <4 S+ 0 0 22 -3,-0.5 -1,-0.2 -7,-0.2 -2,-0.2 0.848 125.3 34.8 -83.3 -36.0 12.4 19.5 15.1 20 43 A N H < S+ 0 0 87 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.639 129.8 24.9-105.3 -16.1 14.3 22.5 16.1 21 44 A K >< + 0 0 49 -4,-2.9 3,-1.5 -5,-0.2 -1,-0.2 -0.091 66.6 134.6-140.5 40.3 17.9 21.3 16.4 22 45 A A T 3 S+ 0 0 3 -4,-0.4 3,-0.5 1,-0.3 289,-0.1 0.782 72.9 65.8 -58.6 -27.3 18.2 18.2 14.1 23 46 A D T > + 0 0 59 1,-0.2 3,-2.2 287,-0.1 4,-0.3 0.077 59.8 130.7 -86.6 25.1 21.5 19.8 12.8 24 47 A I G X + 0 0 0 -3,-1.5 3,-2.0 1,-0.3 4,-0.3 0.805 60.7 73.1 -42.5 -37.9 23.1 19.4 16.3 25 48 A L G > S+ 0 0 41 -3,-0.5 3,-1.2 1,-0.3 -1,-0.3 0.853 88.2 62.0 -44.5 -41.4 26.1 17.8 14.4 26 49 A D G X S+ 0 0 86 -3,-2.2 3,-1.4 1,-0.3 -1,-0.3 0.646 79.7 84.1 -62.3 -21.8 27.0 21.3 13.2 27 50 A E G < S+ 0 0 74 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.647 75.4 70.4 -66.7 -17.7 27.7 22.6 16.7 28 51 A W G X S+ 0 0 11 -3,-1.2 3,-0.7 -4,-0.3 -1,-0.3 0.138 74.2 114.2 -83.4 19.1 31.2 21.3 16.6 29 52 A A T < S+ 0 0 72 -3,-1.4 2,-4.3 1,-0.2 -2,-0.1 0.839 77.5 22.7 -52.0-115.0 32.1 24.0 14.1 30 53 A D T 3 S- 0 0 172 2,-0.0 -1,-0.2 1,-0.0 -2,-0.0 -0.138 95.3-166.2 -56.7 58.1 34.6 26.6 15.4 31 54 A Y < - 0 0 51 -2,-4.3 2,-0.5 -3,-0.7 -3,-0.1 -0.076 14.7-157.4 -58.8 141.7 35.8 24.0 18.0 32 55 A D > - 0 0 75 1,-0.1 3,-1.5 3,-0.1 -1,-0.1 -0.919 12.7-168.5-127.7 106.9 37.9 25.0 20.9 33 56 A T T 3 S+ 0 0 84 -2,-0.5 -1,-0.1 1,-0.3 152,-0.1 0.621 82.2 77.1 -59.2 -15.0 40.1 22.3 22.6 34 57 A L T 3 S+ 0 0 157 2,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.507 78.0 78.5 -84.0 -5.2 40.7 24.9 25.4 35 58 A V S < S- 0 0 38 -3,-1.5 149,-0.1 1,-0.0 150,-0.1 -0.854 84.1-117.9-101.7 138.3 37.3 24.4 27.1 36 59 A P - 0 0 37 0, 0.0 149,-2.3 0, 0.0 -2,-0.1 -0.291 8.4-135.5 -74.5 164.4 36.7 21.4 29.3 37 60 A D S S+ 0 0 1 147,-0.2 147,-0.1 23,-0.2 90,-0.0 0.619 85.1 27.3 -88.1 -19.5 34.1 18.7 28.6 38 61 A Y S S- 0 0 2 145,-0.1 2,-0.4 22,-0.1 -1,-0.1 -0.978 86.5-102.6-148.4 147.3 32.7 18.4 32.1 39 62 A P > - 0 0 1 0, 0.0 3,-1.2 0, 0.0 4,-0.4 -0.657 20.4-146.8 -84.1 131.4 32.4 20.7 35.2 40 63 A L G > S+ 0 0 85 -2,-0.4 3,-2.2 1,-0.2 6,-0.2 0.929 95.3 59.5 -55.6 -49.5 34.9 20.1 37.9 41 64 A E G 3 S+ 0 0 167 1,-0.3 -1,-0.2 5,-0.1 6,-0.1 0.542 101.2 55.2 -65.0 -5.9 32.5 21.0 40.7 42 65 A I G < S+ 0 0 16 -3,-1.2 -1,-0.3 4,-0.0 -2,-0.2 0.491 83.0 101.7-103.6 -4.1 30.1 18.3 39.8 43 66 A V S X S- 0 0 5 -3,-2.2 3,-1.5 -4,-0.4 4,-0.3 -0.697 70.1-142.6 -79.3 122.9 32.7 15.5 40.0 44 67 A P T 3 S+ 0 0 52 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.844 99.5 35.1 -57.8 -36.7 32.2 13.7 43.3 45 68 A F T > S+ 0 0 2 1,-0.2 3,-2.0 2,-0.1 6,-0.2 0.204 81.2 116.2-103.0 13.5 36.0 13.2 43.9 46 69 A A T < S+ 0 0 10 -3,-1.5 -1,-0.2 1,-0.3 -5,-0.1 0.781 81.6 43.9 -52.7 -32.8 37.1 16.5 42.5 47 70 A E T 3 S+ 0 0 163 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.424 82.9 122.3 -97.6 -0.1 38.4 17.6 45.8 48 71 A H X> - 0 0 27 -3,-2.0 4,-2.9 1,-0.1 3,-0.5 -0.434 65.7-131.3 -67.1 132.2 40.1 14.4 46.9 49 72 A P H 3> S+ 0 0 93 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.740 108.9 52.1 -54.5 -28.1 43.8 14.9 47.6 50 73 A L H 34 S+ 0 0 53 2,-0.2 4,-0.3 3,-0.1 204,-0.1 0.807 113.2 45.8 -79.3 -30.6 44.8 11.9 45.4 51 74 A F H X4 S+ 0 0 0 -3,-0.5 3,-2.6 -6,-0.2 -1,-0.1 0.985 112.6 47.1 -68.1 -60.4 42.7 13.5 42.6 52 75 A L H 3< S+ 0 0 97 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.704 109.7 58.0 -54.3 -20.4 44.1 17.0 43.0 53 76 A A T 3< S+ 0 0 72 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.520 85.6 99.3 -89.9 -10.6 47.6 15.4 43.1 54 77 A A S < S- 0 0 11 -3,-2.6 199,-0.1 -4,-0.3 198,-0.0 -0.276 88.4 -90.1 -65.5 163.4 47.2 13.8 39.7 55 78 A E >> - 0 0 110 1,-0.1 4,-2.0 4,-0.0 3,-1.0 -0.467 36.4-107.1 -80.0 150.0 48.8 15.6 36.8 56 79 A P H 3> S+ 0 0 74 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.853 120.9 47.6 -41.2 -49.7 46.8 18.2 34.7 57 80 A H H 3> S+ 0 0 103 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.796 109.2 55.6 -68.9 -28.8 46.3 15.9 31.7 58 81 A Q H <> S+ 0 0 34 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.939 109.9 44.5 -66.3 -47.4 45.2 13.1 34.1 59 82 A R H X S+ 0 0 57 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.926 113.4 51.0 -59.5 -47.0 42.5 15.2 35.6 60 83 A Q H X S+ 0 0 89 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.882 107.6 53.3 -60.0 -39.6 41.4 16.4 32.1 61 84 A R H X S+ 0 0 111 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.875 108.4 50.9 -59.8 -40.7 41.3 12.8 31.0 62 85 A V H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.911 109.7 48.9 -65.2 -42.5 39.0 12.0 33.9 63 86 A L H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.925 113.4 46.6 -63.2 -47.6 36.6 14.9 33.1 64 87 A T H X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.949 111.4 53.8 -55.4 -49.1 36.5 13.9 29.4 65 88 A G H X S+ 0 0 9 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.823 109.7 46.9 -55.9 -35.5 35.9 10.3 30.6 66 89 A M H X S+ 0 0 4 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.821 107.5 53.7 -85.5 -27.7 33.0 11.3 32.8 67 90 A W H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.944 115.2 43.6 -58.0 -51.1 31.3 13.4 30.1 68 91 A I H X S+ 0 0 14 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.949 112.5 51.7 -59.3 -51.2 31.5 10.3 27.9 69 92 A G H X S+ 0 0 2 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.858 108.0 52.9 -56.4 -41.1 30.4 8.0 30.8 70 93 A Y H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.884 109.2 48.3 -60.3 -44.9 27.4 10.3 31.4 71 94 A N H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.876 109.6 53.1 -63.4 -39.0 26.3 10.1 27.7 72 95 A E H X S+ 0 0 85 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.922 110.4 47.0 -62.2 -43.7 26.7 6.3 27.8 73 96 A R H X S+ 0 0 70 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.897 111.0 52.3 -64.1 -42.6 24.4 6.0 30.9 74 97 A V H X S+ 0 0 17 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.943 112.0 45.3 -56.7 -50.3 21.9 8.3 29.2 75 98 A I H X S+ 0 0 13 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.937 112.4 50.8 -60.6 -48.0 21.8 6.2 26.1 76 99 A A H X S+ 0 0 24 -4,-2.7 4,-2.6 1,-0.2 5,-0.4 0.936 110.9 50.2 -55.1 -47.4 21.6 3.0 28.2 77 100 A T H X>S+ 0 0 25 -4,-2.8 5,-2.4 1,-0.2 4,-2.1 0.894 112.9 44.6 -57.1 -49.5 18.6 4.4 30.1 78 101 A E H <>S+ 0 0 5 -4,-2.3 5,-2.4 3,-0.2 -1,-0.2 0.933 119.7 40.7 -60.6 -49.9 16.7 5.5 27.0 79 102 A Q H <5S+ 0 0 34 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.862 127.9 28.8 -72.3 -34.6 17.3 2.2 25.1 80 103 A L H <5S+ 0 0 56 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.668 134.2 14.8-105.0 -25.2 16.8 -0.2 28.0 81 104 A I T X5S+ 0 0 1 -4,-2.1 4,-1.0 -5,-0.4 -3,-0.2 0.732 124.6 37.3-114.8 -60.6 14.4 1.5 30.5 82 105 A A H >> S+ 0 0 37 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.797 107.1 50.4 -56.1 -33.5 10.5 -0.0 26.3 85 108 A A H S+ 0 0 28 -4,-2.0 5,-1.2 1,-0.3 4,-0.5 0.849 107.2 52.2 -62.7 -36.4 4.5 -1.1 25.8 89 112 A V H <5S+ 0 0 3 -4,-1.4 3,-0.5 1,-0.2 -1,-0.3 0.843 112.6 46.7 -65.0 -33.8 2.0 1.8 26.0 90 113 A M H <5S+ 0 0 4 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.717 101.2 63.6 -84.1 -21.6 2.0 1.9 22.2 91 114 A H T <5S- 0 0 106 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.594 107.5-124.6 -76.4 -9.2 1.6 -1.9 21.8 92 115 A G T 5 + 0 0 43 -3,-0.5 -3,-0.1 -4,-0.5 6,-0.1 0.751 66.6 137.6 76.7 26.4 -1.8 -1.6 23.5 93 116 A V < + 0 0 61 -5,-1.2 -4,-0.1 4,-0.1 -5,-0.1 0.584 56.0 67.2 -81.6 -14.2 -1.1 -4.1 26.2 94 117 A F S > S- 0 0 3 -6,-0.3 3,-1.9 -5,-0.2 4,-0.2 -0.924 93.3-107.4-109.9 134.8 -2.7 -2.0 29.0 95 118 A P T 3 S+ 0 0 41 0, 0.0 121,-0.2 0, 0.0 -2,-0.1 -0.375 106.7 25.5 -54.9 129.9 -6.4 -1.2 29.2 96 119 A G T > S+ 0 0 9 -4,-0.1 3,-0.9 120,-0.1 6,-0.1 0.293 88.0 108.5 97.3 -6.5 -7.0 2.5 28.3 97 120 A S T < + 0 0 1 -3,-1.9 -5,-0.1 1,-0.2 -4,-0.1 0.561 60.5 75.9 -81.2 -7.1 -3.9 2.8 26.2 98 121 A D T 3 + 0 0 117 -4,-0.2 -1,-0.2 -6,-0.1 5,-0.0 0.620 64.7 121.4 -77.0 -14.2 -5.9 3.0 22.9 99 122 A D <> - 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0 0 97 1,-0.1 2,-0.1 2,-0.1 -63,-0.0 -0.127 360.0-104.7 -55.2 138.5 25.8 -2.2 33.3 137 165 A L > - 0 0 22 1,-0.1 4,-2.3 -64,-0.1 5,-0.2 -0.410 17.1-133.7 -61.5 139.4 23.5 0.4 34.9 138 166 A V T 4 S+ 0 0 26 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.380 109.0 54.1 -73.5 1.7 22.7 -0.2 38.5 139 167 A T T > S+ 0 0 15 2,-0.1 4,-1.4 3,-0.1 -1,-0.2 0.718 110.5 42.7-101.8 -33.5 19.1 0.6 37.4 140 168 A Y H > S+ 0 0 56 2,-0.2 4,-2.5 3,-0.1 5,-0.2 0.853 109.1 56.6 -77.3 -37.9 18.9 -1.9 34.6 141 169 A R H X S+ 0 0 86 -4,-2.3 4,-1.3 2,-0.2 5,-0.2 0.959 107.9 49.0 -60.8 -49.5 20.5 -4.7 36.4 142 170 A R H >> S+ 0 0 102 -4,-0.3 3,-1.7 1,-0.2 4,-1.6 0.962 111.7 50.0 -44.1 -64.1 17.9 -4.5 39.2 143 171 A L H 3X S+ 0 0 5 -4,-1.4 4,-2.5 1,-0.3 -1,-0.2 0.808 105.8 54.4 -45.1 -47.8 15.1 -4.5 36.5 144 172 A R H 3X S+ 0 0 83 -4,-2.5 4,-1.2 1,-0.2 -1,-0.3 0.763 110.7 49.1 -62.2 -26.1 16.5 -7.6 34.7 145 173 A R H << S+ 0 0 141 -3,-1.7 4,-0.3 -4,-1.3 -2,-0.2 0.761 108.2 50.2 -89.1 -27.8 16.4 -9.3 38.1 146 174 A V H >< S+ 0 0 29 -4,-1.6 3,-1.3 -5,-0.2 -2,-0.2 0.948 114.2 46.6 -66.3 -48.9 12.8 -8.3 38.9 147 175 A L H >< S+ 0 0 45 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.841 100.3 66.6 -60.4 -37.5 11.7 -9.6 35.5 148 176 A A T 3< S+ 0 0 65 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.661 102.2 49.5 -61.3 -17.4 13.6 -12.9 35.7 149 177 A D T < S+ 0 0 135 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.031 89.9 90.4-112.2 24.3 11.2 -13.9 38.5 150 178 A M < - 0 0 41 -3,-2.0 6,-0.1 1,-0.1 -1,-0.1 -0.887 49.2-174.5-126.4 106.0 7.9 -13.1 36.8 151 179 A P + 0 0 110 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.678 66.6 71.7 -76.2 -13.7 6.4 -16.1 34.8 152 180 A E S >> S- 0 0 106 1,-0.2 4,-1.2 2,-0.0 3,-0.9 -0.841 73.9-141.6-111.9 133.0 3.5 -14.1 33.3 153 181 A Q H >> S+ 0 0 109 -2,-0.4 4,-2.4 1,-0.2 3,-0.6 0.899 97.7 64.0 -52.5 -47.3 3.9 -11.4 30.7 154 182 A W H 3> S+ 0 0 55 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.751 103.0 47.8 -55.5 -31.9 1.3 -9.1 32.2 155 183 A E H <> S+ 0 0 28 -3,-0.9 4,-1.8 2,-0.2 -1,-0.3 0.840 108.3 52.8 -77.9 -36.1 3.4 -8.6 35.4 156 184 A R H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 3,-0.7 0.933 111.3 52.5 -63.8 -46.7 10.1 6.5 37.4 167 195 A A H 3< S+ 0 0 3 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.836 113.0 46.2 -54.9 -34.1 13.0 7.1 35.0 168 196 A E H 3< S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.639 117.4 40.4 -88.8 -14.8 11.0 9.7 33.2 169 197 A T H << S+ 0 0 4 -4,-1.1 103,-1.0 -3,-0.7 2,-0.8 0.586 100.8 73.6-108.3 -15.0 9.7 11.6 36.2 170 198 A C S < S- 0 0 0 -4,-2.0 100,-0.2 102,-0.2 2,-0.2 -0.806 78.4-146.1-106.5 93.1 12.9 11.6 38.3 171 199 A I B -A 269 0A 33 98,-1.2 98,-2.7 -2,-0.8 2,-0.2 -0.354 14.5-119.9 -66.6 124.1 15.3 14.1 36.7 172 200 A N >> - 0 0 40 96,-0.2 4,-1.3 -2,-0.2 3,-0.8 -0.453 14.8-137.5 -60.0 123.9 19.1 13.3 36.9 173 201 A A H 3> S+ 0 0 0 1,-0.2 4,-2.9 -2,-0.2 5,-0.2 0.833 103.4 59.5 -50.7 -37.6 20.9 16.1 38.7 174 202 A L H 3> S+ 0 0 12 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.852 100.0 56.1 -64.6 -35.9 23.7 15.9 36.1 175 203 A L H <> S+ 0 0 9 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.942 114.2 37.8 -60.1 -50.2 21.2 16.7 33.3 176 204 A A H X S+ 0 0 5 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.899 119.1 49.2 -70.7 -40.9 20.1 20.0 35.0 177 205 A L H < S+ 0 0 35 -4,-2.9 4,-0.4 -5,-0.2 3,-0.2 0.931 113.6 44.9 -62.9 -47.7 23.6 20.8 36.2 178 206 A L H >< S+ 0 0 0 -4,-3.1 3,-1.1 1,-0.2 -2,-0.2 0.892 108.0 60.3 -62.0 -39.8 25.3 20.3 32.8 179 207 A A H 3< S+ 0 0 11 -4,-1.8 14,-0.2 -5,-0.3 -1,-0.2 0.867 111.3 37.8 -56.8 -40.2 22.5 22.2 31.1 180 208 A R T 3< S+ 0 0 173 -4,-1.3 2,-0.7 -3,-0.2 -1,-0.3 0.373 85.6 118.9 -98.1 3.0 23.2 25.4 33.0 181 209 A D < - 0 0 12 -3,-1.1 3,-0.4 -4,-0.4 8,-0.2 -0.622 37.0-176.5 -81.1 112.5 27.0 25.2 33.1 182 210 A A S S+ 0 0 104 -2,-0.7 -1,-0.1 1,-0.2 -4,-0.0 0.274 75.5 65.2 -85.2 7.5 28.6 28.1 31.3 183 211 A T S S+ 0 0 87 2,-0.1 -1,-0.2 -148,-0.0 2,-0.1 0.686 89.7 67.4-103.5 -22.7 32.2 26.8 31.8 184 212 A I S S- 0 0 6 -3,-0.4 -147,-0.2 1,-0.2 5,-0.1 -0.355 105.7 -50.5 -94.5 173.5 32.2 23.6 29.7 185 213 A Q >> - 0 0 4 -149,-2.3 3,-1.6 1,-0.2 4,-1.4 -0.144 53.3-130.3 -41.1 128.4 31.9 23.0 25.9 186 214 A P H 3> S+ 0 0 85 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.790 106.7 56.6 -61.2 -24.5 28.9 25.0 24.7 187 215 A M H 3> S+ 0 0 6 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.663 101.3 57.1 -81.3 -13.7 27.5 21.9 22.9 188 216 A H H <> S+ 0 0 1 -3,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.892 111.3 41.1 -79.8 -44.9 27.6 19.9 26.1 189 217 A S H X S+ 0 0 22 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.750 115.3 52.9 -72.6 -25.7 25.3 22.3 27.9 190 218 A L H X S+ 0 0 42 -4,-1.3 4,-3.0 -5,-0.2 5,-0.3 0.944 108.9 47.9 -71.7 -50.8 23.2 22.8 24.7 191 219 A I H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.912 116.3 44.4 -55.9 -42.3 22.6 19.0 24.3 192 220 A T H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.891 113.0 50.7 -74.6 -38.3 21.7 18.8 28.0 193 221 A T H X S+ 0 0 62 -4,-2.0 4,-2.2 -14,-0.2 -2,-0.2 0.901 111.7 48.2 -57.6 -45.4 19.5 21.9 27.9 194 222 A L H X S+ 0 0 26 -4,-3.0 4,-1.6 2,-0.2 -177,-0.3 0.911 113.5 47.5 -64.4 -42.3 17.6 20.5 24.8 195 223 A H H X S+ 0 0 9 -4,-2.1 4,-2.9 -5,-0.3 -2,-0.2 0.907 110.5 51.4 -66.0 -44.7 17.2 17.2 26.5 196 224 A L H X S+ 0 0 39 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.858 106.3 55.2 -59.7 -41.1 15.9 18.9 29.8 197 225 A R H X S+ 0 0 130 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.916 114.3 39.4 -58.1 -47.4 13.4 20.9 27.8 198 226 A D H X S+ 0 0 1 -4,-1.6 4,-2.1 1,-0.2 3,-0.4 0.891 112.4 56.8 -65.4 -44.9 11.9 17.7 26.3 199 227 A E H X S+ 0 0 17 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.822 98.4 61.7 -64.4 -31.0 12.2 15.7 29.5 200 228 A T H X S+ 0 0 83 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.925 108.5 42.1 -55.8 -48.5 10.1 18.3 31.4 201 229 A A H X S+ 0 0 7 -4,-0.9 4,-2.6 -3,-0.4 -2,-0.2 0.857 109.1 59.5 -67.0 -40.8 7.1 17.6 29.1 202 230 A H H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.852 102.0 54.7 -54.6 -38.4 7.8 13.8 29.3 203 231 A G H X S+ 0 0 13 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.939 110.5 43.9 -63.2 -48.3 7.3 14.0 33.1 204 232 A S H X S+ 0 0 40 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.919 113.5 52.5 -60.1 -45.0 3.9 15.6 32.8 205 233 A I H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.935 109.0 48.9 -56.7 -51.1 3.0 13.2 30.0 206 234 A V H X S+ 0 0 7 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.883 107.6 54.6 -60.2 -41.6 3.9 10.1 32.1 207 235 A V H X S+ 0 0 8 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.940 112.3 44.3 -58.5 -47.7 2.0 11.3 35.1 208 236 A E H X S+ 0 0 19 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.965 116.0 45.6 -55.8 -59.3 -1.2 11.6 32.9 209 237 A V H X S+ 0 0 6 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.907 114.2 47.2 -58.2 -47.4 -0.7 8.3 31.2 210 238 A V H X S+ 0 0 5 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.898 110.0 54.4 -64.4 -40.7 0.1 6.3 34.3 211 239 A R H X S+ 0 0 56 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.931 113.0 43.6 -53.2 -46.7 -2.9 7.9 36.1 212 240 A E H X S+ 0 0 71 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.901 114.4 47.2 -69.1 -44.9 -5.2 6.7 33.3 213 241 A L H X S+ 0 0 0 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.871 113.0 49.5 -64.7 -38.7 -3.8 3.2 32.9 214 242 A Y H >< S+ 0 0 32 -4,-2.3 3,-0.6 2,-0.2 -2,-0.2 0.909 105.7 55.1 -69.0 -46.6 -3.9 2.6 36.7 215 243 A A H 3< S+ 0 0 55 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.801 117.2 39.5 -48.9 -33.2 -7.5 3.8 37.0 216 244 A R H 3< S+ 0 0 149 -4,-1.0 -2,-0.2 -121,-0.2 -1,-0.2 0.523 91.3 110.0-100.8 -10.8 -8.2 1.1 34.3 217 245 A M << - 0 0 4 -4,-0.8 -123,-0.0 -3,-0.6 -3,-0.0 -0.449 66.6-132.0 -63.2 133.6 -5.9 -1.6 35.6 218 246 A N > - 0 0 74 -2,-0.2 4,-2.2 1,-0.1 3,-0.2 -0.041 40.0 -84.1 -64.7-170.7 -7.7 -4.6 37.1 219 247 A E H > S+ 0 0 86 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.844 126.1 52.8 -80.9 -40.6 -6.5 -5.8 40.6 220 248 A Q H > S+ 0 0 112 2,-0.2 4,-0.8 3,-0.1 -1,-0.3 0.847 116.9 42.6 -62.5 -28.6 -3.6 -8.1 39.7 221 249 A Q H > S+ 0 0 20 -3,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.881 114.6 52.4 -82.2 -30.1 -2.2 -5.1 37.7 222 250 A R H X S+ 0 0 74 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.883 115.7 36.8 -76.8 -44.2 -3.1 -2.5 40.5 223 251 A R H X S+ 0 0 148 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.779 112.3 60.3 -77.1 -31.4 -1.4 -4.3 43.4 224 252 A A H X S+ 0 0 4 -4,-0.8 4,-2.4 -5,-0.3 -1,-0.2 0.908 106.3 49.1 -55.6 -44.3 1.4 -5.4 41.1 225 253 A L H X S+ 0 0 2 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.853 108.6 49.6 -68.6 -40.2 2.1 -1.6 40.5 226 254 A V H < S+ 0 0 30 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.840 112.6 49.2 -71.9 -33.9 2.1 -0.6 44.2 227 255 A R H X S+ 0 0 136 -4,-1.8 4,-0.9 1,-0.1 -2,-0.2 0.957 113.9 46.5 -60.5 -53.5 4.6 -3.4 45.0 228 256 A C H X S+ 0 0 11 -4,-2.4 4,-2.7 1,-0.2 3,-0.2 0.866 96.4 71.5 -62.7 -45.1 6.9 -2.5 42.1 229 257 A L H X S+ 0 0 2 -4,-2.3 4,-3.6 1,-0.2 5,-0.3 0.876 100.2 43.1 -43.3 -61.8 7.1 1.3 42.7 230 258 A P H > S+ 0 0 29 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.890 113.9 52.5 -57.4 -40.4 9.2 1.4 45.8 231 259 A I H X S+ 0 0 92 -4,-0.9 4,-1.3 -3,-0.2 -2,-0.2 0.920 116.1 41.7 -56.0 -44.0 11.5 -1.4 44.3 232 260 A A H X S+ 0 0 0 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.924 114.2 49.3 -69.8 -45.7 11.8 0.9 41.3 233 261 A L H X S+ 0 0 0 -4,-3.6 4,-0.6 1,-0.2 3,-0.4 0.905 111.4 49.9 -62.0 -42.3 12.2 4.2 43.2 234 262 A E H >X S+ 0 0 119 -4,-2.6 4,-2.0 -5,-0.3 3,-0.7 0.864 105.1 59.0 -61.8 -38.6 14.9 2.7 45.4 235 263 A A H 3< S+ 0 0 3 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.819 109.4 42.6 -61.1 -33.4 16.7 1.5 42.3 236 264 A F H 3< S+ 0 0 11 -4,-1.3 32,-0.3 -3,-0.4 -1,-0.3 0.515 113.1 55.2 -87.7 -7.9 17.0 5.1 41.1 237 265 A A H << S+ 0 0 38 -3,-0.7 -2,-0.2 -4,-0.6 -3,-0.2 0.743 88.5 100.3 -91.1 -29.1 17.9 6.2 44.6 238 266 A E < - 0 0 68 -4,-2.0 2,-0.4 -100,-0.1 -100,-0.1 0.012 63.5-140.1 -58.9 161.3 20.9 3.8 44.9 239 267 A Q + 0 0 132 -101,-0.0 2,-0.5 2,-0.0 -1,-0.1 -0.966 21.1 173.7-133.5 113.2 24.5 4.8 44.4 240 268 A D > - 0 0 57 -2,-0.4 3,-0.5 1,-0.1 4,-0.2 -0.976 9.6-173.5-119.4 116.8 27.1 2.6 42.6 241 269 A L T 3> + 0 0 32 -2,-0.5 4,-1.8 1,-0.2 3,-0.1 0.159 54.7 111.5 -96.9 19.4 30.4 4.3 42.1 242 270 A S H 3> S+ 0 0 73 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.811 77.9 53.7 -54.9 -36.2 31.8 1.4 40.0 243 271 A A H <> S+ 0 0 25 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.859 104.4 54.0 -68.3 -38.6 31.7 3.8 37.0 244 272 A L H > S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.902 106.2 53.8 -59.0 -42.3 33.8 6.4 38.9 245 273 A L H X S+ 0 0 53 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.873 106.7 50.6 -61.8 -40.5 36.4 3.7 39.5 246 274 A L H X S+ 0 0 77 -4,-1.3 4,-2.8 2,-0.2 -1,-0.2 0.902 110.3 49.5 -65.3 -42.5 36.7 2.8 35.8 247 275 A E H X S+ 0 0 20 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.861 112.3 48.4 -63.3 -41.2 37.2 6.5 34.8 248 276 A L H <>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 -2,-0.2 0.937 115.0 43.9 -63.6 -51.2 39.9 6.9 37.5 249 277 A N H ><5S+ 0 0 77 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.883 109.5 56.5 -60.3 -43.2 41.8 3.7 36.4 250 278 A A H 3<5S+ 0 0 80 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.857 108.9 47.2 -59.2 -35.6 41.4 4.6 32.7 251 279 A A T 3<5S- 0 0 2 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.415 115.7-120.5 -81.9 0.8 43.2 7.9 33.5 252 280 A G T < 5 + 0 0 46 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.785 47.4 173.4 61.7 29.6 45.8 6.0 35.5 253 281 A I > < - 0 0 4 -5,-2.5 3,-0.9 -6,-0.1 -1,-0.2 -0.587 30.6-128.8 -69.5 114.7 45.1 7.9 38.7 254 282 A R T 3 S+ 0 0 217 -2,-0.6 -1,-0.1 1,-0.2 -200,-0.0 -0.368 91.5 26.4 -61.8 142.1 47.1 6.3 41.5 255 283 A G T 3> S+ 0 0 27 3,-0.1 4,-2.4 -2,-0.0 -1,-0.2 0.758 71.9 152.2 73.0 26.7 45.0 5.4 44.5 256 284 A A H <> S+ 0 0 0 -3,-0.9 4,-2.3 1,-0.2 5,-0.2 0.876 74.2 48.8 -51.2 -42.1 41.8 5.0 42.5 257 285 A E H > S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.858 109.7 50.9 -71.1 -40.1 40.4 2.5 45.1 258 286 A E H > S+ 0 0 116 2,-0.2 4,-1.7 3,-0.2 -2,-0.2 0.908 111.2 48.9 -59.9 -44.3 41.3 4.7 48.0 259 287 A I H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 3,-0.2 0.945 114.7 43.4 -60.9 -52.7 39.5 7.7 46.3 260 288 A V H X S+ 0 0 17 -4,-2.3 4,-1.5 1,-0.2 3,-0.2 0.896 110.7 57.8 -60.0 -44.0 36.4 5.6 45.6 261 289 A G H < S+ 0 0 47 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.835 104.3 50.4 -53.6 -39.1 36.6 4.1 49.1 262 290 A D H < S+ 0 0 110 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.811 106.7 53.7 -73.4 -30.6 36.4 7.6 50.7 263 291 A L H < 0 0 57 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.807 360.0 360.0 -63.1 -35.4 33.3 8.3 48.6 264 292 A R < 0 0 102 -4,-1.5 -1,-0.1 -5,-0.1 -4,-0.1 -0.637 360.0 360.0 110.2 360.0 32.1 5.1 50.2 265 ! 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 0.0 266 300 A L 0 0 99 0, 0.0 2,-0.4 0, 0.0 -93,-0.2 0.000 360.0 360.0 360.0 65.6 23.8 14.5 43.0 267 301 A V - 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