==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC RESISTANCE 01-MAY-97 1AI6 . COMPND 2 MOLECULE: PENICILLIN AMIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.H.DONE . 752 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28852.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 488 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 36 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 4 1 2 0 2 2 2 4 0 1 0 2 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 3 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 PARALLEL BRIDGES PER LADDER . 5 4 3 5 2 1 4 1 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 2 1 0 1 0 0 0 1 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 3 A S > 0 0 100 0, 0.0 3,-0.9 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 127.4 0.8 13.3 4.3 2 4 A S T 3 + 0 0 81 1,-0.2 18,-0.2 18,-0.1 19,-0.2 0.579 360.0 54.5 -74.7 -10.0 0.3 12.6 8.0 3 5 A S T 3 S+ 0 0 29 749,-0.1 748,-2.7 17,-0.1 2,-0.4 0.478 87.4 102.1-104.7 -8.5 3.8 11.1 8.3 4 6 A E E < -A 750 0A 64 -3,-0.9 2,-0.5 746,-0.2 16,-0.3 -0.644 42.9-178.4 -85.2 134.9 5.7 14.0 6.9 5 7 A I E -A 749 0A 0 744,-2.3 744,-2.4 -2,-0.4 2,-0.5 -0.986 11.3-161.6-125.3 120.3 7.6 16.6 8.9 6 8 A K E -AB 748 18A 54 12,-2.3 12,-1.7 -2,-0.5 2,-0.6 -0.900 1.6-164.4-107.5 127.8 9.2 19.5 6.9 7 9 A I E -AB 747 17A 1 740,-3.1 740,-1.6 -2,-0.5 2,-0.5 -0.935 7.1-177.6-113.0 111.9 12.0 21.5 8.5 8 10 A V E -AB 746 16A 0 8,-2.1 8,-2.2 -2,-0.6 2,-0.4 -0.929 8.4-160.3-110.2 121.1 13.0 24.8 6.9 9 11 A R E -AB 745 15A 25 736,-2.2 735,-3.5 -2,-0.5 736,-1.3 -0.896 11.5-143.3-100.7 143.3 15.8 26.9 8.4 10 12 A D E > -A 743 0A 0 4,-1.6 3,-2.1 -2,-0.4 733,-0.2 -0.121 40.7 -75.1 -92.6-167.5 16.1 30.6 7.6 11 13 A E T 3 S+ 0 0 67 731,-0.7 732,-0.1 1,-0.3 -1,-0.1 0.725 133.9 46.3 -60.1 -20.2 19.2 32.8 7.0 12 14 A Y T 3 S- 0 0 61 2,-0.1 691,-0.5 690,-0.0 -1,-0.3 0.354 122.3-104.2-106.1 6.7 20.0 32.8 10.7 13 15 A G < + 0 0 1 -3,-2.1 -2,-0.1 1,-0.3 703,-0.1 0.566 67.3 155.8 90.9 6.7 19.5 29.1 11.1 14 16 A M - 0 0 0 1,-0.1 -4,-1.6 217,-0.1 -1,-0.3 -0.578 37.5-134.0 -74.6 114.6 16.1 29.4 12.7 15 17 A P E -B 9 0A 0 0, 0.0 217,-1.7 0, 0.0 2,-0.4 -0.459 16.5-164.9 -69.2 136.8 14.0 26.3 12.2 16 18 A H E -Bc 8 232A 0 -8,-2.2 -8,-2.1 215,-0.2 2,-0.4 -0.982 13.7-148.0-117.8 128.5 10.3 26.4 11.1 17 19 A I E -Bc 7 233A 0 215,-1.8 217,-1.6 -2,-0.4 2,-0.5 -0.828 11.2-170.0-107.8 131.3 8.4 23.1 11.6 18 20 A Y E +Bc 6 234A 29 -12,-1.7 -12,-2.3 -2,-0.4 2,-0.3 -0.998 27.2 140.7-120.6 121.5 5.6 22.0 9.2 19 21 A A - 0 0 5 215,-1.4 217,-0.4 -2,-0.5 -14,-0.1 -0.937 47.6-133.4-160.4 162.0 3.5 19.0 10.4 20 22 A N S S+ 0 0 104 -16,-0.3 216,-0.3 -2,-0.3 2,-0.3 0.720 81.4 30.3-102.9 -22.0 -0.1 17.9 10.5 21 23 A D S > S- 0 0 68 -19,-0.2 4,-2.5 214,-0.1 5,-0.1 -0.886 84.4-100.2-135.8 170.4 -0.6 16.6 14.0 22 24 A T H > S+ 0 0 10 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.858 116.1 48.9 -51.7 -55.8 0.6 17.3 17.5 23 25 A W H > S+ 0 0 12 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.899 113.8 46.1 -60.8 -42.4 3.0 14.5 17.8 24 26 A H H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 112.0 53.4 -65.9 -43.3 4.7 15.2 14.4 25 27 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.956 114.7 37.7 -54.2 -51.0 4.9 18.9 15.2 26 28 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.682 111.4 60.8 -81.6 -16.6 6.7 18.5 18.6 27 29 A Y H X S+ 0 0 22 -4,-1.3 4,-1.8 -5,-0.3 -1,-0.2 0.952 105.8 47.9 -70.8 -47.7 8.8 15.7 17.2 28 30 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 3,-0.3 0.943 110.4 52.5 -52.3 -51.0 10.2 18.1 14.7 29 31 A Y H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.3 -2,-0.2 0.960 111.2 45.4 -53.2 -51.8 10.8 20.7 17.4 30 32 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.3 0.801 109.3 57.4 -57.2 -41.5 12.8 18.2 19.6 31 33 A Y H X S+ 0 0 0 -4,-1.8 4,-1.6 -3,-0.3 -1,-0.2 0.958 110.3 41.4 -60.8 -49.9 14.7 17.0 16.5 32 34 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.881 111.2 57.3 -71.1 -27.8 16.1 20.5 15.7 33 35 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 -1,-0.2 0.889 108.1 48.0 -61.2 -42.4 16.7 21.2 19.4 34 36 A A H X S+ 0 0 2 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.822 112.1 49.9 -66.6 -34.6 18.9 18.1 19.4 35 37 A Q H < S+ 0 0 31 -4,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.901 122.5 30.3 -69.2 -41.6 20.7 19.3 16.3 36 38 A D H < S+ 0 0 9 -4,-2.5 669,-2.6 1,-0.1 670,-0.3 0.825 134.1 16.3 -89.6 -36.3 21.4 22.8 17.6 37 39 A R H X + 0 0 7 -4,-3.0 4,-2.8 -5,-0.2 5,-0.3 -0.031 69.8 135.6-136.7 38.4 21.8 22.5 21.4 38 40 A L H X S+ 0 0 5 -4,-0.7 4,-1.9 1,-0.2 5,-0.1 0.843 78.7 43.5 -59.9 -50.5 22.4 18.9 22.5 39 41 A F H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.907 115.7 49.3 -64.0 -39.7 25.2 19.5 25.0 40 42 A Q H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.947 113.7 46.8 -61.0 -47.0 23.5 22.5 26.5 41 43 A M H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.850 110.7 52.1 -63.5 -35.2 20.2 20.5 26.8 42 44 A E H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.899 111.7 45.6 -71.8 -35.5 22.0 17.6 28.3 43 45 A M H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.926 111.8 52.6 -77.5 -32.9 23.7 19.7 31.0 44 46 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.3 -2,-0.2 0.946 108.0 51.9 -62.9 -45.1 20.4 21.4 31.7 45 47 A R H X S+ 0 0 17 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.893 113.2 43.2 -60.0 -42.1 18.8 18.0 32.2 46 48 A R H X>S+ 0 0 15 -4,-1.9 5,-2.8 1,-0.2 4,-1.1 0.778 113.2 53.8 -71.2 -31.9 21.4 17.0 34.7 47 49 A S H <5S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.895 109.9 46.0 -66.8 -44.7 21.3 20.4 36.4 48 50 A T H <5S+ 0 0 3 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.572 121.2 37.8 -78.5 -8.7 17.5 20.2 36.9 49 51 A Q H <5S- 0 0 32 -4,-0.6 -1,-0.2 -5,-0.2 -2,-0.2 0.482 109.2-115.8-118.0 -5.4 17.6 16.6 38.2 50 52 A G T <5S+ 0 0 0 -4,-1.1 -3,-0.2 -5,-0.1 -4,-0.1 0.946 74.4 127.3 70.1 57.0 20.9 16.8 40.2 51 53 A T < + 0 0 29 -5,-2.8 4,-0.5 1,-0.1 -4,-0.2 -0.075 33.6 108.2-132.2 34.3 22.9 14.2 38.2 52 54 A V >> + 0 0 0 -6,-0.5 4,-2.9 8,-0.2 3,-1.0 0.884 68.4 61.3 -80.3 -39.4 25.9 16.5 37.6 53 55 A A H 3> S+ 0 0 0 7,-0.4 4,-2.7 1,-0.2 252,-2.1 0.801 92.1 68.5 -63.4 -26.2 28.4 14.8 39.9 54 56 A E H 34 S+ 0 0 66 250,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.832 118.1 21.2 -60.1 -37.3 28.1 11.5 37.8 55 57 A V H <4 S+ 0 0 19 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.739 136.2 36.1-104.3 -20.3 29.9 13.1 34.9 56 58 A L H < S- 0 0 38 -4,-2.9 3,-0.3 1,-0.2 -3,-0.2 0.549 96.8-141.7-116.5 -4.0 31.7 16.0 36.7 57 59 A G >< - 0 0 8 -4,-2.7 3,-1.8 -5,-0.3 -1,-0.2 -0.389 45.9 -15.3 96.4-166.6 32.7 14.6 40.1 58 60 A K G > S+ 0 0 169 247,-0.4 3,-1.5 1,-0.3 4,-0.4 0.714 114.4 69.2 -61.9 -32.7 33.1 15.6 43.7 59 61 A D G 3 S+ 0 0 143 -3,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.703 103.1 49.1 -62.4 -19.2 32.8 19.4 43.4 60 62 A F G <> S+ 0 0 38 -3,-1.8 4,-2.5 1,-0.1 -7,-0.4 0.239 78.3 96.9-104.7 12.5 29.1 18.9 42.4 61 63 A V H <> S+ 0 0 15 -3,-1.5 4,-2.5 2,-0.2 -1,-0.1 0.867 87.3 46.8 -68.4 -38.5 27.8 16.5 45.2 62 64 A K H > S+ 0 0 151 -4,-0.4 4,-3.2 2,-0.2 5,-0.2 0.933 112.3 51.2 -69.6 -43.3 26.3 19.4 47.3 63 65 A F H > S+ 0 0 37 -4,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.974 110.7 48.6 -54.8 -55.5 24.7 20.9 44.3 64 66 A D H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.914 112.1 48.2 -56.1 -48.6 23.1 17.5 43.4 65 67 A K H X S+ 0 0 43 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.906 111.4 50.8 -59.1 -40.3 21.9 17.0 46.9 66 68 A D H X S+ 0 0 59 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.938 109.7 50.5 -65.2 -41.5 20.4 20.5 47.0 67 69 A I H >< S+ 0 0 31 -4,-2.9 3,-0.8 -5,-0.2 -2,-0.2 0.962 112.4 45.5 -59.1 -48.2 18.6 20.0 43.7 68 70 A R H >< S+ 0 0 21 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.898 107.4 58.0 -67.8 -33.1 17.0 16.7 44.8 69 71 A R H 3< S+ 0 0 113 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.749 99.5 63.3 -59.8 -28.8 16.0 18.1 48.2 70 72 A N T << S+ 0 0 42 -4,-1.2 2,-0.3 -3,-0.8 -1,-0.3 0.403 105.7 29.3 -88.4 15.6 14.0 20.8 46.4 71 73 A Y < - 0 0 21 -3,-1.3 249,-0.0 -4,-0.2 0, 0.0 -0.926 65.7-126.1-159.2 173.4 11.4 18.7 44.5 72 74 A W >> - 0 0 24 -2,-0.3 4,-1.0 1,-0.1 3,-0.9 -0.859 14.6-163.3-130.5 95.8 9.4 15.5 44.6 73 75 A P H >> S+ 0 0 14 0, 0.0 4,-2.2 0, 0.0 3,-0.7 0.836 86.5 59.0 -50.9 -41.7 9.7 13.4 41.5 74 76 A D H 3> S+ 0 0 107 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.880 101.9 55.7 -58.8 -35.9 6.6 11.2 42.1 75 77 A A H <> S+ 0 0 27 -3,-0.9 4,-1.2 2,-0.2 -1,-0.3 0.842 107.9 48.5 -62.0 -35.2 4.4 14.3 42.1 76 78 A I H < S+ 0 0 16 -4,-2.0 3,-2.2 1,-0.2 -2,-0.2 0.969 106.3 57.6 -67.7 -42.6 2.2 13.5 33.6 81 83 A A H 3< S+ 0 0 88 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.733 103.7 55.0 -58.6 -22.7 0.1 10.3 34.1 82 84 A A T 3< S+ 0 0 84 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.390 81.7 115.7 -91.9 3.8 -3.1 12.4 34.3 83 85 A L < - 0 0 36 -3,-2.2 -3,-0.0 -4,-0.2 -4,-0.0 -0.433 68.6-116.0 -70.7 152.2 -2.6 14.2 30.9 84 86 A S > - 0 0 52 -2,-0.1 4,-2.7 1,-0.1 3,-0.3 -0.329 35.3-100.9 -72.2 163.7 -5.1 13.6 28.1 85 87 A P H > S+ 0 0 107 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.851 122.4 52.3 -59.1 -37.0 -3.7 12.0 25.0 86 88 A E H > S+ 0 0 113 2,-0.2 4,-0.8 1,-0.2 -3,-0.0 0.899 112.9 43.8 -66.5 -43.3 -3.5 15.3 23.1 87 89 A D H >> S+ 0 0 33 -3,-0.3 4,-1.1 1,-0.2 3,-0.6 0.891 111.3 53.9 -71.3 -36.8 -1.5 17.0 25.9 88 90 A M H 3X S+ 0 0 52 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.808 99.0 64.7 -62.8 -35.3 0.8 13.9 26.4 89 91 A S H 3X S+ 0 0 8 -4,-1.6 4,-3.7 -5,-0.2 5,-0.3 0.831 95.4 57.9 -57.8 -41.0 1.6 14.0 22.7 90 92 A I H X S+ 0 0 83 -4,-1.9 4,-1.6 1,-0.2 3,-0.6 0.898 114.0 53.2 -59.7 -37.6 21.9 9.1 14.6 105 107 A V H 3< S+ 0 0 1 -4,-2.5 3,-0.3 1,-0.2 7,-0.2 0.919 110.1 45.7 -63.0 -44.2 24.5 10.9 16.8 106 108 A N H 3< S+ 0 0 71 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.651 113.9 51.6 -75.3 -9.0 25.4 7.8 18.8 107 109 A T H << S+ 0 0 115 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.708 122.9 26.5 -95.0 -24.9 25.5 5.8 15.5 108 110 A N S >X S+ 0 0 65 -4,-1.6 4,-2.1 -3,-0.3 3,-1.4 -0.387 70.2 153.6-136.6 58.4 27.9 8.2 13.7 109 111 A P H 3> + 0 0 47 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.723 60.1 75.8 -70.2 -18.9 29.9 10.0 16.4 110 112 A E H 34 S+ 0 0 136 1,-0.2 600,-0.2 2,-0.1 -5,-0.0 0.742 119.4 11.5 -64.1 -27.9 32.9 10.7 14.3 111 113 A T H <4 S+ 0 0 80 -3,-1.4 -1,-0.2 -6,-0.1 599,-0.1 0.582 133.1 45.2-119.3 -27.9 31.0 13.6 12.5 112 114 A L H < S+ 0 0 43 -4,-2.1 -2,-0.1 -7,-0.2 -7,-0.1 0.623 79.6 101.2-100.1 -14.7 27.9 14.1 14.6 113 115 A L S < S- 0 0 6 -4,-1.3 5,-0.1 -5,-0.3 -7,-0.0 -0.602 78.1-114.4 -80.1 124.6 28.9 14.1 18.2 114 116 A P >> - 0 0 9 0, 0.0 3,-1.5 0, 0.0 4,-0.8 -0.203 26.1-121.5 -47.9 131.2 29.2 17.7 19.7 115 117 A K H >> S+ 0 0 80 592,-3.4 4,-2.1 1,-0.2 3,-0.8 0.821 106.1 64.6 -45.7 -44.5 32.8 18.3 20.6 116 118 A Q H 3> S+ 0 0 8 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.812 92.5 62.6 -60.2 -26.3 32.1 19.0 24.4 117 119 A F H <>>S+ 0 0 0 -3,-1.5 5,-2.0 2,-0.2 4,-0.6 0.939 108.5 42.3 -61.9 -42.2 30.9 15.4 24.9 118 120 A N H X<5S+ 0 0 92 -4,-0.8 3,-2.2 -3,-0.8 -2,-0.2 0.999 114.3 52.4 -67.7 -53.2 34.4 14.2 24.0 119 121 A T H 3<5S+ 0 0 82 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.774 118.1 35.5 -47.0 -45.6 36.0 17.0 26.0 120 122 A F H 3<5S- 0 0 61 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.371 111.5-121.3 -95.8 2.3 34.0 16.1 29.2 121 123 A G T <<5S+ 0 0 55 -3,-2.2 2,-0.3 -4,-0.6 -3,-0.2 0.859 71.6 89.6 72.4 44.0 34.1 12.3 28.5 122 124 A F < - 0 0 26 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.911 59.1-128.8-162.5 167.7 30.5 11.1 28.3 123 125 A T - 0 0 79 -2,-0.3 2,-0.0 -3,-0.1 -17,-0.0 -0.956 33.3 -86.9-129.7 158.8 27.8 10.7 25.6 124 126 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 -85,-0.1 -0.268 36.4-150.9 -62.7 145.5 24.1 11.7 25.3 125 127 A K - 0 0 132 1,-0.1 2,-0.1 -2,-0.0 -23,-0.0 -0.672 27.2 -91.0-116.1 163.4 21.3 9.6 26.7 126 128 A R - 0 0 134 -2,-0.2 2,-0.3 1,-0.1 -30,-0.1 -0.455 39.3-132.8 -77.3 152.7 17.7 9.2 25.5 127 129 A W - 0 0 7 -32,-0.4 -28,-0.1 -2,-0.1 -1,-0.1 -0.741 15.5-166.1-106.4 154.0 14.9 11.4 26.9 128 130 A E >> - 0 0 86 -2,-0.3 3,-1.6 1,-0.0 4,-1.2 -0.871 44.5 -93.1-127.1 168.7 11.4 10.7 28.2 129 131 A P H 3> S+ 0 0 10 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.857 122.8 62.7 -46.6 -37.3 8.5 13.1 28.9 130 132 A F H 3> S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.876 101.5 51.9 -60.2 -38.2 9.6 13.5 32.5 131 133 A D H <> S+ 0 0 12 -3,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.864 107.6 51.0 -67.9 -37.8 12.9 15.0 31.3 132 134 A V H X S+ 0 0 4 -4,-1.2 4,-1.1 2,-0.2 3,-0.3 0.940 111.9 46.9 -62.2 -46.3 11.1 17.6 29.2 133 135 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.863 108.1 56.5 -65.2 -39.0 8.9 18.6 32.1 134 136 A M H X S+ 0 0 1 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.853 97.1 62.9 -68.6 -24.9 11.9 18.9 34.5 135 137 A I H X S+ 0 0 5 -4,-1.6 4,-1.6 -3,-0.3 -1,-0.2 0.955 111.6 38.0 -55.6 -56.2 13.7 21.3 32.1 136 138 A F H X>S+ 0 0 3 -4,-1.1 4,-2.2 2,-0.2 5,-1.3 0.940 117.9 48.3 -62.1 -47.9 10.8 23.8 32.7 137 139 A V H <>S+ 0 0 3 -4,-2.4 5,-1.9 1,-0.2 -2,-0.2 0.916 115.8 45.7 -57.1 -48.2 10.2 23.0 36.4 138 140 A G H <5S+ 0 0 5 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.781 124.5 28.4 -65.1 -39.4 13.9 23.3 37.1 139 141 A T H <5S+ 0 0 0 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.433 132.2 27.7-109.0 -10.0 14.7 26.5 35.3 140 142 A M T X5S+ 0 0 8 -4,-2.2 4,-1.7 -5,-0.2 5,-0.4 0.646 126.1 35.1-117.3 -59.2 11.4 28.4 35.4 141 143 A A H >> + 0 0 8 -2,-0.3 4,-2.8 253,-0.1 3,-0.6 0.146 41.3 129.9-130.4 26.3 13.5 34.2 53.1 150 152 A E H 3> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.824 72.5 50.6 -50.5 -42.7 11.0 33.7 55.9 151 153 A I H 3> S+ 0 0 32 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.949 114.3 44.1 -64.5 -43.3 13.4 31.8 58.2 152 154 A D H <> S+ 0 0 79 -3,-0.6 4,-2.1 1,-0.2 -2,-0.2 0.904 108.8 58.2 -68.5 -38.8 16.1 34.6 57.8 153 155 A N H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.899 105.9 49.7 -52.3 -43.0 13.4 37.2 58.3 154 156 A L H X S+ 0 0 60 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.858 108.0 53.0 -69.9 -35.8 12.5 35.7 61.7 155 157 A A H X S+ 0 0 42 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.880 111.4 46.6 -67.4 -35.6 16.2 35.7 62.7 156 158 A L H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 3,-0.3 0.986 112.3 50.8 -68.1 -47.8 16.4 39.4 61.8 157 159 A L H X S+ 0 0 8 -4,-2.8 4,-1.6 1,-0.3 -2,-0.2 0.901 109.3 49.7 -53.9 -49.0 13.1 40.1 63.7 158 160 A T H X S+ 0 0 71 -4,-2.5 4,-1.8 2,-0.2 -1,-0.3 0.911 110.7 50.8 -57.2 -45.4 14.4 38.3 66.9 159 161 A A H X S+ 0 0 20 -4,-1.6 4,-1.6 -3,-0.3 -2,-0.2 0.924 109.8 48.8 -66.0 -37.8 17.6 40.3 66.7 160 162 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.3 0.789 108.4 56.5 -68.8 -25.5 15.8 43.6 66.4 161 163 A K H X S+ 0 0 67 -4,-1.6 4,-1.4 -5,-0.3 -2,-0.2 0.898 107.4 47.6 -74.4 -36.3 13.6 42.5 69.4 162 164 A D H < S+ 0 0 138 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.799 117.0 42.7 -71.2 -34.8 16.7 42.0 71.5 163 165 A K H < S+ 0 0 116 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.910 131.2 19.4 -83.7 -39.1 18.2 45.4 70.6 164 166 A Y H < S- 0 0 50 -4,-2.3 4,-0.4 1,-0.3 -2,-0.2 0.251 109.5-107.5-117.6 7.2 15.0 47.6 70.7 165 167 A G X - 0 0 35 -4,-1.4 4,-3.3 3,-0.2 -1,-0.3 0.063 47.9 -61.1 83.1 159.9 12.7 45.6 72.9 166 168 A V H > S+ 0 0 105 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.873 129.5 32.6 -48.1 -61.3 9.5 43.7 71.8 167 169 A S H > S+ 0 0 104 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.876 122.5 48.3 -70.0 -34.4 7.2 46.4 70.3 168 170 A Q H > S+ 0 0 79 -4,-0.4 4,-1.9 2,-0.2 3,-0.3 0.894 105.1 58.4 -75.0 -38.4 10.0 48.5 69.0 169 171 A G H X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.918 107.9 48.0 -56.2 -41.9 11.8 45.6 67.4 170 172 A M H X S+ 0 0 52 -4,-1.3 4,-1.9 -5,-0.3 -1,-0.2 0.768 109.0 51.7 -65.7 -39.4 8.6 44.9 65.3 171 173 A A H < S+ 0 0 37 -4,-1.1 435,-0.3 -3,-0.3 -1,-0.2 0.822 111.0 48.5 -73.0 -30.1 8.2 48.6 64.3 172 174 A V H >X S+ 0 0 1 -4,-1.9 3,-3.3 2,-0.2 4,-2.0 0.978 108.0 54.8 -72.4 -46.3 11.8 48.6 63.0 173 175 A F H 3X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.3 3,-0.2 0.871 107.5 50.1 -47.3 -45.8 11.2 45.3 61.1 174 176 A N H 3< S+ 0 0 62 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.540 107.9 55.3 -73.2 -11.4 8.3 47.0 59.4 175 177 A Q H <4 S+ 0 0 4 -3,-3.3 3,-0.4 -4,-0.1 -1,-0.2 0.850 117.9 32.4 -83.0 -39.8 10.6 49.9 58.5 176 178 A L H < S+ 0 0 2 -4,-2.0 2,-0.2 -3,-0.2 -2,-0.2 0.778 135.3 25.1 -82.8 -40.8 13.2 47.7 56.9 177 179 A K S < S- 0 0 6 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.1 -0.639 81.5-175.7-127.5 69.0 10.9 45.0 55.4 178 180 A W - 0 0 15 -3,-0.4 3,-0.1 -2,-0.2 -3,-0.1 -0.404 26.9-137.5 -64.7 153.3 7.5 46.7 55.0 179 181 A L S S- 0 0 65 1,-0.3 267,-0.7 -5,-0.1 2,-0.3 0.874 85.7 -2.1 -71.5 -51.9 4.6 44.6 53.8 180 182 A V - 0 0 54 265,-0.1 -1,-0.3 273,-0.0 275,-0.1 -0.999 58.1-158.8-140.0 150.5 3.3 47.3 51.4 181 183 A N > - 0 0 11 -2,-0.3 3,-1.3 263,-0.2 262,-0.2 -0.967 11.0-153.2-132.3 117.7 4.4 50.8 50.6 182 184 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 273,-0.1 0.503 89.5 63.4 -72.8 -11.6 1.7 52.9 49.0 183 185 A S T 3 S+ 0 0 56 271,-0.1 272,-0.1 2,-0.1 3,-0.1 0.553 72.7 123.5 -91.3 -4.9 4.1 55.2 47.2 184 186 A A S < S- 0 0 12 -3,-1.3 272,-0.2 270,-0.3 2,-0.1 -0.245 70.6-112.9 -54.6 126.0 5.5 52.4 44.9 185 187 A P - 0 0 27 0, 0.0 254,-0.7 0, 0.0 2,-0.3 -0.423 42.0-157.5 -58.4 123.5 5.3 53.0 41.2 186 188 A T B -j 439 0B 38 252,-0.1 255,-0.1 1,-0.1 248,-0.1 -0.872 28.4-133.1-112.2 153.5 2.8 50.4 39.8 187 189 A T S S+ 0 0 18 252,-2.5 2,-0.5 -2,-0.3 247,-0.3 0.864 100.0 58.1 -71.4 -33.2 2.2 48.8 36.4 188 190 A I S S- 0 0 2 252,-2.7 254,-0.4 251,-0.2 -2,-0.1 -0.831 92.4-125.7 -97.9 125.8 -1.6 49.4 36.9 189 191 A A >> - 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0 0 1 1,-0.2 -1,-0.3 16,-0.1 -252,-0.1 -0.415 64.8 -58.0 -44.3 152.7 7.9 46.6 40.0 439 243 B S B -j 186 0B 4 -254,-0.7 -252,-2.5 1,-0.1 -251,-0.2 -0.320 36.4-144.6 -66.6 134.7 4.6 46.3 41.7 440 244 B P S S- 0 0 0 0, 0.0 -252,-2.7 0, 0.0 2,-0.3 0.892 74.7 -8.8 -58.7 -46.2 1.6 45.3 39.6 441 245 B Q S > S- 0 0 7 -254,-0.2 3,-2.3 -255,-0.1 -247,-0.1 -0.991 85.1 -65.0-157.2 159.9 -0.8 47.4 41.6 442 246 B K T 3 S+ 0 0 67 -249,-0.5 -247,-2.5 -254,-0.4 -259,-0.0 -0.202 116.8 4.7 -52.5 126.0 -1.6 49.6 44.6 443 247 B D T 3 S+ 0 0 55 1,-0.2 -1,-0.3 -262,-0.2 -249,-0.1 0.536 87.0 144.3 74.6 9.3 -1.4 47.7 47.8 444 248 B Y < - 0 0 10 -3,-2.3 -1,-0.2 -263,-0.1 -263,-0.2 -0.601 48.3-129.6 -80.1 128.5 -0.2 44.4 46.3 445 249 B P - 0 0 37 0, 0.0 -176,-0.4 0, 0.0 -265,-0.1 -0.575 21.7-137.8 -77.3 144.9 2.3 42.7 48.7 446 250 B A - 0 0 15 -267,-0.7 -178,-0.2 1,-0.2 -177,-0.1 -0.478 38.2 -61.7-100.6 170.5 5.7 41.6 47.3 447 251 B S - 0 0 1 -180,-2.2 -1,-0.2 1,-0.1 -178,-0.2 -0.165 49.8-119.3 -39.0 152.6 7.8 38.5 47.8 448 252 B D + 0 0 1 -301,-0.3 2,-0.2 -177,-0.2 -1,-0.1 0.390 69.0 134.2 -81.8 1.6 8.8 38.0 51.4 449 253 B L > - 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0 0 35 -2,-0.4 4,-3.0 -267,-0.2 5,-0.2 -0.512 36.6-101.2 -85.4 172.8 7.1 54.8 16.3 475 279 B A H > S+ 0 0 22 -267,-0.4 4,-2.4 1,-0.2 5,-0.2 0.925 124.9 51.1 -58.3 -50.4 8.6 51.3 16.2 476 280 B D H > S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.881 110.6 48.4 -61.3 -35.7 12.1 52.7 15.9 477 281 B Q H > S+ 0 0 64 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.937 109.2 52.1 -74.2 -34.9 11.5 54.9 18.9 478 282 B A H < S+ 0 0 0 -4,-3.0 4,-0.3 1,-0.2 3,-0.3 0.904 111.5 48.2 -64.3 -34.8 10.1 52.0 21.0 479 283 B W H >X S+ 0 0 14 -4,-2.4 3,-1.9 -5,-0.2 4,-0.7 0.913 103.3 62.5 -70.6 -35.9 13.2 50.0 20.1 480 284 B D H >X S+ 0 0 51 -4,-2.0 4,-1.8 1,-0.3 3,-0.6 0.842 86.8 71.3 -60.5 -28.2 15.4 53.0 21.1 481 285 B V H 3X S+ 0 0 3 -4,-1.3 4,-2.3 -3,-0.3 -1,-0.3 0.765 89.8 63.9 -60.9 -27.2 14.2 52.9 24.7 482 286 B I H <> S+ 0 0 2 -3,-1.9 4,-1.9 -4,-0.3 -1,-0.3 0.953 104.1 45.3 -60.2 -52.3 16.3 49.7 25.0 483 287 B R H X S+ 0 0 50 -4,-1.8 3,-1.5 1,-0.2 4,-1.0 0.975 115.5 44.5 -66.3 -50.2 18.6 54.6 26.8 485 289 B T H 3< S+ 0 0 3 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.825 107.0 61.9 -68.4 -24.9 17.5 52.4 29.7 486 290 B S H 3< S+ 0 0 6 -4,-1.9 188,-2.4 -5,-0.2 -1,-0.3 0.710 113.1 35.3 -59.1 -39.7 20.6 50.1 29.1 487 291 B R H << S+ 0 0 52 -3,-1.5 39,-3.0 -4,-0.7 2,-0.3 0.428 90.1 115.2-101.6 -4.9 22.9 53.0 29.8 488 292 B Q B < -Y 525 0J 23 -4,-1.0 2,-0.3 -3,-0.3 37,-0.2 -0.527 62.4-132.3 -71.8 127.5 21.0 54.9 32.6 489 293 B D - 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0 0 91 -2,-0.3 3,-2.1 1,-0.1 6,-0.2 -0.434 27.7-112.2 -75.2 156.0 31.8 77.7 48.5 508 312 B Q T 3 S+ 0 0 166 1,-0.3 -1,-0.1 -2,-0.1 6,-0.0 0.725 116.1 55.9 -56.6 -27.3 32.9 76.9 44.9 509 313 B S T 3 S+ 0 0 91 4,-0.1 -1,-0.3 5,-0.0 3,-0.1 0.477 80.2 109.1 -91.0 2.6 36.4 75.8 46.1 510 314 B D <> - 0 0 28 -3,-2.1 4,-1.7 1,-0.2 3,-0.4 -0.684 65.2-148.1 -80.6 118.9 34.8 73.2 48.4 511 315 B P H > S+ 0 0 39 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.901 95.4 60.5 -56.5 -41.0 35.5 69.8 46.8 512 316 B R H > S+ 0 0 52 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.941 107.8 46.9 -53.4 -40.3 32.2 68.3 48.1 513 317 B R H > S+ 0 0 57 -3,-0.4 4,-2.2 -6,-0.2 -1,-0.2 0.908 107.1 56.2 -69.7 -38.9 30.4 71.0 46.1 514 318 B Q H X S+ 0 0 75 -4,-1.7 4,-2.4 2,-0.2 3,-0.5 0.986 105.1 53.0 -60.7 -45.5 32.5 70.3 43.0 515 319 B L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.3 -2,-0.2 0.893 110.2 47.2 -51.4 -48.5 31.4 66.6 43.1 516 320 B V H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.3 0.798 109.2 54.2 -67.5 -29.3 27.7 67.7 43.2 517 321 B E H X S+ 0 0 70 -4,-2.2 4,-1.4 -3,-0.5 -1,-0.2 0.890 105.7 52.4 -74.0 -34.4 28.3 70.1 40.3 518 322 B T H >X S+ 0 0 14 -4,-2.4 3,-0.8 1,-0.2 4,-0.7 0.985 111.7 47.3 -56.5 -51.1 29.7 67.4 38.2 519 323 B L H >< S+ 0 0 3 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.870 107.4 56.8 -58.5 -41.7 26.6 65.3 38.9 520 324 B T H 3< S+ 0 0 68 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.781 106.1 49.0 -64.0 -29.9 24.3 68.3 38.1 521 325 B R H << S+ 0 0 183 -4,-1.4 2,-0.3 -3,-0.8 -1,-0.2 0.526 97.7 90.0 -81.4 -16.2 25.7 68.7 34.6 522 326 B W << - 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0 0 75 -735,-3.5 2,-0.3 1,-0.4 -734,-0.2 0.566 69.1 -3.9-111.1 -14.0 18.7 28.6 3.6 745 549 B S E -A 9 0A 54 -736,-1.3 -736,-2.2 2,-0.0 -1,-0.4 -0.981 56.0-150.6-170.2 162.8 17.9 24.8 3.8 746 550 B Q E -A 8 0A 93 -2,-0.3 2,-0.3 -738,-0.2 -738,-0.2 -0.980 7.0-176.1-142.6 144.6 15.2 22.2 4.0 747 551 B E E -A 7 0A 65 -740,-1.6 -740,-3.1 -2,-0.3 2,-0.4 -0.972 10.0-159.9-145.7 128.1 15.0 18.7 5.5 748 552 B V E -A 6 0A 53 -2,-0.3 2,-0.3 -742,-0.2 -742,-0.2 -0.947 6.8-169.5-115.4 139.8 12.0 16.4 5.1 749 553 B L E -A 5 0A 19 -744,-2.4 -744,-2.3 -2,-0.4 2,-0.5 -0.913 11.9-157.8-125.5 149.0 11.3 13.4 7.5 750 554 B H E +A 4 0A 124 -2,-0.3 2,-0.3 -746,-0.2 -746,-0.2 -0.992 29.5 158.2-125.1 116.0 8.8 10.6 7.1 751 555 B V - 0 0 29 -748,-2.7 2,-0.4 -2,-0.5 -2,-0.1 -0.993 27.0-156.3-143.8 139.9 7.9 9.1 10.5 752 556 B Q 0 0 115 -2,-0.3 -749,-0.1 -728,-0.0 -2,-0.0 -0.940 360.0 360.0-119.8 137.3 5.0 7.0 11.9 753 557 B R 0 0 174 -2,-0.4 -729,-0.0 0, 0.0 -660,-0.0 -0.480 360.0 360.0 -68.9 360.0 4.2 6.9 15.6