==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTIC 16-JUN-11 3SH9 . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR W.-T.WONG,Y.-X.ZHAO,Y.-C.LEUNG . 510 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22311.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 68.2 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 . 72 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 0 0 0 1 1 1 5 6 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 0 3 1 2 2 0 0 3 1 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 . 4 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 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 31 A D > 0 0 109 0, 0.0 4,-1.7 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 145.4 -5.3 -33.1 8.1 2 32 A D H > + 0 0 91 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.777 360.0 56.3 -64.3 -30.0 -4.9 -32.0 11.7 3 33 A F H > S+ 0 0 8 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 106.4 48.9 -69.1 -42.4 -2.8 -28.9 10.8 4 34 A A H > S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.890 109.1 55.7 -60.9 -38.3 -5.5 -27.5 8.5 5 35 A K H X S+ 0 0 95 -4,-1.7 4,-3.3 1,-0.2 -2,-0.2 0.891 106.7 49.4 -59.2 -42.3 -8.0 -28.1 11.4 6 36 A L H X S+ 0 0 10 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.888 107.9 52.3 -67.9 -39.1 -5.9 -26.0 13.7 7 37 A E H X>S+ 0 0 22 -4,-1.9 5,-2.2 2,-0.2 4,-0.6 0.922 114.5 44.4 -59.4 -44.0 -5.6 -23.1 11.2 8 38 A E H ><5S+ 0 0 156 -4,-1.9 3,-1.1 2,-0.2 -2,-0.2 0.965 114.5 48.7 -59.5 -58.3 -9.4 -23.2 11.0 9 39 A Q H 3<5S+ 0 0 129 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.752 121.5 34.1 -54.5 -35.1 -9.8 -23.6 14.8 10 40 A F H 3<5S- 0 0 39 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.296 102.3-121.0-112.5 8.1 -7.5 -20.7 15.6 11 41 A D T <<5S+ 0 0 89 -3,-1.1 221,-0.3 -4,-0.6 2,-0.3 0.930 76.3 108.6 55.0 48.5 -8.1 -18.3 12.7 12 42 A A S -A 223 0A 27 5,-2.7 4,-2.5 -2,-0.4 203,-0.2 -0.786 13.4-158.6 -78.4 111.7 13.8 -36.5 14.2 21 51 A T T 4 S+ 0 0 20 201,-2.3 -1,-0.1 -2,-0.8 202,-0.1 0.638 86.3 56.4 -75.3 -12.5 17.6 -36.5 14.2 22 52 A G T 4 S+ 0 0 40 199,-0.3 -1,-0.2 200,-0.2 201,-0.1 0.934 126.0 13.9 -75.4 -52.3 17.6 -40.2 15.0 23 53 A T T 4 S- 0 0 77 2,-0.1 -2,-0.2 198,-0.1 3,-0.1 0.604 91.7-126.6 -99.9 -17.5 15.6 -41.5 12.0 24 54 A N < + 0 0 105 -4,-2.5 -3,-0.1 1,-0.3 2,-0.1 0.513 57.3 151.1 67.8 8.3 15.5 -38.4 9.8 25 55 A R - 0 0 138 -5,-0.2 -5,-2.7 229,-0.1 2,-0.3 -0.454 28.9-159.8 -58.4 140.5 11.7 -38.7 9.7 26 56 A T E -B 19 0A 76 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.899 19.8-150.9-124.2 155.6 10.3 -35.2 9.2 27 57 A V E +B 18 0A 14 -9,-2.1 -9,-2.7 -2,-0.3 2,-0.3 -0.953 26.6 179.6-126.5 123.1 6.9 -33.6 9.8 28 59 A A E +B 17 0A 50 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.985 20.9 158.8-132.9 140.8 6.1 -30.7 7.4 29 60 A Y E S-B 16 0A 41 -13,-2.1 -13,-3.6 -2,-0.3 120,-0.1 -0.833 90.1 -19.2-154.6 115.0 3.2 -28.2 6.8 30 61 A R S > S+ 0 0 98 -2,-0.3 3,-1.5 -15,-0.2 119,-0.4 0.885 85.6 163.5 48.6 44.5 4.0 -25.0 4.9 31 62 A P T 3 S+ 0 0 22 0, 0.0 119,-2.5 0, 0.0 120,-0.4 0.716 70.7 40.5 -69.7 -20.8 7.7 -25.7 5.8 32 63 A D T 3 S+ 0 0 95 117,-0.2 2,-0.3 116,-0.1 -2,-0.1 0.211 87.5 115.9-110.8 12.8 9.1 -23.3 3.3 33 64 A E < - 0 0 79 -3,-1.5 116,-0.5 -4,-0.1 2,-0.2 -0.682 68.2-118.2 -82.7 135.4 6.5 -20.5 3.8 34 65 A R E +E 148 0B 85 -2,-0.3 2,-0.3 114,-0.1 114,-0.2 -0.537 37.0 169.9 -78.9 136.4 8.0 -17.2 5.1 35 66 A F E -E 147 0B 7 112,-2.2 112,-2.1 -2,-0.2 2,-0.2 -0.956 47.5 -91.2-133.4 151.5 6.9 -15.8 8.5 36 67 A A E -E 146 0B 40 -2,-0.3 110,-0.3 110,-0.2 193,-0.2 -0.465 34.9-149.3 -55.7 129.3 8.3 -13.0 10.6 37 68 A F > + 0 0 2 108,-1.7 3,-1.6 1,-0.2 -1,-0.2 0.790 28.2 176.3 -79.7 -24.4 10.8 -14.8 12.8 38 69 A A G > - 0 0 10 107,-0.6 3,-1.6 1,-0.2 -1,-0.2 -0.231 65.4 -10.7 52.8-140.2 10.4 -12.3 15.6 39 70 A S G > S+ 0 0 17 1,-0.3 3,-1.8 164,-0.2 4,-0.4 0.566 116.0 85.7 -73.3 -4.6 12.4 -13.1 18.8 40 71 A T G X> S+ 0 0 0 -3,-1.6 3,-1.2 1,-0.3 4,-0.8 0.784 77.9 70.8 -62.7 -21.8 13.3 -16.6 17.6 41 72 A I H <> S+ 0 0 6 -3,-1.6 4,-2.3 1,-0.3 -1,-0.3 0.723 80.4 75.0 -67.0 -21.9 16.2 -14.9 15.8 42 73 A K H <> S+ 0 0 3 -3,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.840 91.5 54.6 -57.2 -36.4 17.8 -14.3 19.3 43 74 A A H <> S+ 0 0 1 -3,-1.2 4,-2.1 -4,-0.4 -1,-0.2 0.952 111.0 43.2 -64.9 -48.2 18.8 -17.9 19.4 44 75 A L H X S+ 0 0 1 -4,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.833 110.7 57.9 -65.1 -32.0 20.7 -17.7 16.1 45 76 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.915 107.7 45.2 -66.2 -45.3 22.2 -14.4 17.2 46 77 A V H X S+ 0 0 0 -4,-2.2 4,-3.4 2,-0.2 5,-0.2 0.886 108.5 58.3 -63.3 -38.4 23.7 -16.0 20.4 47 78 A G H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.945 111.0 42.2 -54.0 -48.1 24.9 -18.8 18.1 48 79 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.911 112.2 53.6 -64.8 -42.8 26.8 -16.2 16.1 49 80 A L H X S+ 0 0 1 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.938 108.7 49.9 -55.8 -49.2 28.0 -14.4 19.2 50 81 A L H < S+ 0 0 2 -4,-3.4 -1,-0.2 1,-0.2 3,-0.2 0.795 109.3 51.9 -61.6 -32.4 29.4 -17.7 20.5 51 82 A Q H < S+ 0 0 57 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.921 114.3 42.8 -65.6 -37.8 31.2 -18.3 17.2 52 83 A Q H < S+ 0 0 103 -4,-2.0 2,-0.4 -3,-0.1 -1,-0.2 0.335 112.6 50.5 -73.2 -46.5 32.8 -14.8 17.3 53 86 A K S < S- 0 0 44 -4,-0.7 2,-0.1 -3,-0.2 5,-0.0 -0.996 76.9-120.4-105.9 148.5 33.9 -14.5 21.1 54 87 A S > - 0 0 50 -2,-0.4 4,-0.9 1,-0.1 3,-0.1 -0.456 38.5-109.1 -66.8 155.4 35.9 -16.8 23.5 55 88 A I T >4 S+ 0 0 59 1,-0.2 3,-1.3 2,-0.2 4,-0.2 0.939 123.2 53.1 -54.7 -45.5 33.9 -17.8 26.6 56 89 A E G >4 S+ 0 0 133 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.863 101.3 59.7 -57.9 -38.3 36.2 -15.5 28.6 57 90 A D G >4 S+ 0 0 86 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.706 88.3 73.6 -64.7 -20.7 35.4 -12.6 26.2 58 91 A L G << S+ 0 0 1 -3,-1.3 29,-2.7 -4,-0.9 28,-0.4 0.596 83.7 70.3 -66.6 -11.0 31.7 -13.0 27.1 59 92 A N G < + 0 0 73 -3,-1.7 -1,-0.3 -4,-0.2 2,-0.2 0.471 67.8 124.0 -86.5 -2.1 32.7 -11.4 30.4 60 93 A Q < - 0 0 89 -3,-1.8 26,-1.5 1,-0.1 2,-0.3 -0.428 66.5-124.6 -56.4 119.6 33.3 -8.0 28.7 61 94 A R E -F 85 0C 126 24,-0.2 2,-0.6 -2,-0.2 24,-0.3 -0.572 22.3-155.4 -70.6 126.8 31.0 -5.5 30.5 62 95 A I E -F 84 0C 11 22,-2.9 22,-2.3 -2,-0.3 2,-0.3 -0.935 5.2-154.3-107.5 122.1 28.7 -3.6 28.1 63 96 A T + 0 0 116 -2,-0.6 2,-0.3 20,-0.2 17,-0.1 -0.705 20.8 164.7 -93.9 149.0 27.5 -0.2 29.1 64 97 A Y - 0 0 9 16,-0.4 2,-0.2 -2,-0.3 19,-0.1 -0.939 23.5-131.3-155.1 171.6 24.3 1.3 27.9 65 98 A T > - 0 0 70 -2,-0.3 3,-2.2 1,-0.0 4,-0.5 -0.732 39.6 -92.9-127.2 169.0 21.9 4.1 28.6 66 99 A R G > S+ 0 0 172 1,-0.3 3,-0.8 -2,-0.2 14,-0.0 0.742 121.6 68.7 -53.7 -25.1 18.1 4.5 29.0 67 100 A D G 3 S+ 0 0 149 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.742 93.0 57.9 -62.4 -29.0 18.1 5.3 25.3 68 101 A D G < S+ 0 0 56 -3,-2.2 -1,-0.2 2,-0.0 -2,-0.2 0.611 85.5 98.2 -80.4 -16.0 19.1 1.7 24.5 69 102 A L < + 0 0 23 -3,-0.8 2,-0.1 -4,-0.5 4,-0.1 -0.519 53.3 173.2 -70.4 141.1 15.9 0.5 26.3 70 103 A V - 0 0 60 -2,-0.2 3,-0.2 2,-0.1 -1,-0.1 -0.052 50.2 -41.6-123.0-136.7 13.1 -0.3 23.9 71 104 A N S S+ 0 0 126 1,-0.2 2,-0.3 -2,-0.1 -2,-0.1 0.813 126.3 20.1 -71.2 -30.4 9.5 -1.9 24.1 72 105 A Y + 0 0 108 25,-0.0 27,-2.1 1,-0.0 28,-0.7 -0.908 61.1 155.4-150.7 112.3 10.4 -4.7 26.5 73 106 A N > + 0 0 16 -2,-0.3 4,-2.1 25,-0.2 5,-0.2 -0.451 4.8 161.5-138.9 58.0 13.4 -4.7 28.8 74 107 A P T 4 S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 23,-0.0 0.815 84.3 17.2 -58.4 -36.7 12.7 -7.0 31.8 75 108 A I T >4 S+ 0 0 20 2,-0.1 3,-1.9 17,-0.1 4,-0.3 0.850 122.4 56.1-100.3 -48.7 16.3 -7.5 32.8 76 109 A T G >4 S+ 0 0 0 1,-0.3 3,-1.4 2,-0.2 4,-0.1 0.793 98.4 63.0 -61.4 -30.1 18.2 -4.7 31.0 77 110 A E G 3< S+ 0 0 92 -4,-2.1 3,-0.3 1,-0.3 -1,-0.3 0.690 100.3 56.4 -65.5 -18.8 16.0 -1.9 32.6 78 111 A K G < S+ 0 0 56 -3,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.542 108.9 44.0 -87.8 -7.1 17.3 -3.0 36.0 79 112 A H X> + 0 0 38 -3,-1.4 4,-2.6 -4,-0.3 3,-0.5 0.072 62.4 117.5-133.6 27.7 21.0 -2.5 35.1 80 113 A V T 34 S+ 0 0 53 -3,-0.3 -16,-0.4 1,-0.2 -1,-0.1 0.851 80.8 58.7 -59.4 -32.0 21.5 0.8 33.3 81 114 A D T 34 S+ 0 0 86 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.797 121.6 19.9 -67.4 -35.3 23.7 1.8 36.3 82 115 A T T <4 S- 0 0 72 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.612 97.1-137.6-106.9 -18.3 26.2 -1.0 36.0 83 116 A G < - 0 0 1 -4,-2.6 2,-0.3 -7,-0.1 -20,-0.2 -0.326 25.7-102.3 72.5-172.9 25.8 -2.2 32.5 84 117 A M E -F 62 0C 4 -22,-2.3 -22,-2.9 -2,-0.1 2,-0.1 -0.991 23.7-109.2-143.8 151.4 25.8 -6.0 31.9 85 118 A T E > -F 61 0C 13 -2,-0.3 4,-2.3 -24,-0.3 -24,-0.2 -0.360 34.6-109.8 -75.2 163.1 28.3 -8.5 30.6 86 119 A L H > S+ 0 0 0 -26,-1.5 4,-2.6 -28,-0.4 -27,-0.2 0.893 121.6 54.4 -58.8 -37.0 27.8 -10.1 27.2 87 120 A K H > S+ 0 0 65 -29,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.903 108.7 46.4 -61.9 -43.7 27.1 -13.3 29.0 88 121 A E H > S+ 0 0 69 -30,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.829 111.6 53.0 -68.3 -34.6 24.3 -11.7 31.1 89 122 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.910 108.3 49.3 -66.7 -42.1 22.9 -10.1 28.0 90 123 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.907 111.4 50.2 -63.4 -40.3 22.8 -13.5 26.3 91 124 A D H X S+ 0 0 34 -4,-2.1 4,-2.5 1,-0.2 5,-0.4 0.930 113.6 45.4 -59.9 -46.6 21.0 -14.9 29.4 92 125 A A H X S+ 0 0 0 -4,-2.4 6,-1.9 2,-0.2 4,-1.3 0.887 114.3 48.5 -63.1 -43.1 18.5 -12.0 29.3 93 126 A S H X S+ 0 0 0 -4,-2.7 4,-0.9 4,-0.2 -2,-0.2 0.959 120.3 34.6 -63.4 -52.2 17.9 -12.3 25.5 94 127 A L H < S+ 0 0 1 -4,-2.4 107,-0.2 -5,-0.2 -2,-0.2 0.880 125.1 36.5 -74.5 -41.4 17.4 -16.0 25.5 95 128 A R H < S+ 0 0 24 -4,-2.5 86,-2.3 -5,-0.3 87,-0.3 0.690 135.0 19.7 -92.6 -19.7 15.6 -16.7 28.8 96 129 A Y H < S- 0 0 32 -4,-1.3 -3,-0.2 -5,-0.4 -2,-0.2 0.437 95.3-123.2-123.1 -8.5 13.4 -13.6 29.0 97 130 A S < - 0 0 12 -4,-0.9 2,-0.6 -5,-0.4 -4,-0.2 0.909 39.0-173.5 55.7 42.6 13.4 -12.3 25.4 98 131 A D > - 0 0 0 -6,-1.9 4,-1.8 1,-0.2 -1,-0.2 -0.591 12.9-158.7 -66.4 115.1 14.8 -9.0 26.6 99 132 A N H > S+ 0 0 22 -27,-2.1 4,-2.2 -2,-0.6 34,-0.2 0.848 89.0 52.4 -68.2 -39.8 14.7 -6.9 23.4 100 133 A A H > S+ 0 0 1 -28,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.884 107.1 54.2 -61.7 -41.1 17.3 -4.4 24.6 101 134 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.933 108.5 48.7 -59.9 -45.2 19.7 -7.3 25.4 102 135 A Q H X S+ 0 0 9 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.930 110.6 51.3 -60.1 -46.1 19.3 -8.6 21.8 103 136 A N H X S+ 0 0 25 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.930 110.5 48.2 -56.5 -46.4 19.9 -5.1 20.4 104 137 A L H X S+ 0 0 10 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.905 112.8 48.3 -62.6 -42.6 23.1 -4.7 22.5 105 138 A I H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.941 111.4 49.7 -61.1 -48.2 24.3 -8.2 21.4 106 139 A L H X>S+ 0 0 5 -4,-2.9 5,-3.4 1,-0.2 4,-0.6 0.902 107.4 54.5 -58.1 -44.0 23.6 -7.4 17.7 107 140 A K H ><5S+ 0 0 134 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.905 108.0 51.0 -54.4 -43.1 25.5 -4.2 17.9 108 141 A Q H 3<5S+ 0 0 70 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.768 109.0 48.9 -70.9 -28.2 28.5 -6.1 19.3 109 142 A I H 3<5S- 0 0 10 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.417 129.3 -92.2 -92.3 2.8 28.4 -8.6 16.4 110 143 A G T < - 0 0 7 -5,-3.4 4,-2.7 1,-0.2 3,-0.5 -0.070 68.6 -45.8 82.9 177.5 24.5 -5.5 13.3 112 145 A P H > S+ 0 0 17 0, 0.0 4,-3.3 0, 0.0 -1,-0.2 0.787 133.6 57.0 -53.8 -35.6 21.9 -7.3 11.1 113 146 A E H > S+ 0 0 157 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.897 111.2 43.5 -62.2 -43.8 24.2 -7.2 8.0 114 147 A S H X S+ 0 0 30 -4,-0.6 4,-2.2 -3,-0.5 5,-0.2 0.919 113.5 50.4 -69.8 -45.0 26.9 -9.0 10.0 115 148 A L H X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.950 110.9 50.7 -55.3 -48.6 24.3 -11.5 11.4 116 149 A K H X S+ 0 0 58 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.921 108.5 51.9 -56.6 -45.8 23.1 -12.2 7.9 117 150 A K H X S+ 0 0 134 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.902 110.6 47.4 -55.9 -45.2 26.6 -12.8 6.6 118 151 A E H X S+ 0 0 27 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.827 110.4 51.5 -71.3 -31.3 27.3 -15.3 9.4 119 152 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 3,-1.0 0.928 107.4 52.9 -68.2 -44.2 24.0 -17.1 8.8 120 153 A R H ><5S+ 0 0 51 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.895 103.4 60.8 -54.8 -37.0 24.8 -17.4 5.1 121 154 A K H 3<5S+ 0 0 148 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.791 101.5 50.6 -64.1 -29.0 28.2 -18.9 6.2 122 155 A I T <<5S- 0 0 22 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.487 130.8 -91.9 -89.1 -0.5 26.5 -21.8 8.0 123 156 A G T < 5S+ 0 0 62 -3,-1.5 2,-1.0 -4,-0.5 -3,-0.2 0.378 82.3 136.6 109.7 0.7 24.4 -22.6 4.9 124 157 A D < + 0 0 6 -5,-2.1 -1,-0.2 1,-0.2 -2,-0.1 -0.703 13.2 160.7 -87.2 101.2 21.3 -20.5 5.7 125 158 A E + 0 0 136 -2,-1.0 -1,-0.2 -3,-0.1 -5,-0.1 0.390 69.3 55.6 -95.0 2.3 20.2 -18.7 2.5 126 159 A V S S+ 0 0 39 22,-0.1 20,-0.2 25,-0.1 -1,-0.1 0.889 76.6 88.5-105.8 -46.4 16.7 -18.0 3.8 127 160 A T - 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