==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-SEP-98 1BUL . COMPND 2 MOLECULE: NMC-A BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR L.MOUREY,P.SWAREN,K.MIYASHITA,A.BULYCHEV,S.MOBASHERY, . 265 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 69.8 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 . 39 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 9 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.6 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 1 0 0 0 0 2 2 1 3 0 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 . 1 2 0 1 0 0 1 2 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 . 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 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 26 A N 0 0 138 0, 0.0 3,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 157.2 36.6 -12.8 6.6 2 27 A T >> - 0 0 74 1,-0.1 3,-2.0 2,-0.1 4,-0.6 -0.010 360.0 -77.5 -41.1 134.6 35.2 -11.3 9.8 3 28 A K T 34 S- 0 0 96 1,-0.3 -1,-0.1 2,-0.1 260,-0.1 -0.024 111.0 -2.4 -39.0 128.7 31.4 -11.4 10.1 4 29 A G T 3> S+ 0 0 12 -3,-0.2 4,-2.3 1,-0.1 -1,-0.3 0.201 99.2 107.9 72.3 -15.1 29.7 -8.6 8.1 5 30 A I H <> S+ 0 0 28 -3,-2.0 4,-2.3 2,-0.2 5,-0.1 0.943 83.5 42.8 -60.4 -49.0 32.9 -7.0 6.8 6 31 A D H X S+ 0 0 78 -4,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.895 112.9 54.4 -64.6 -37.5 32.5 -8.2 3.2 7 32 A E H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.882 110.4 45.0 -63.6 -40.3 28.8 -7.4 3.3 8 33 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.885 111.9 53.7 -72.1 -33.5 29.5 -3.8 4.3 9 34 A K H X S+ 0 0 87 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.897 110.7 46.2 -65.4 -40.0 32.2 -3.6 1.7 10 35 A N H X S+ 0 0 99 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.883 110.3 52.4 -69.6 -39.8 29.7 -4.8 -1.0 11 36 A L H X S+ 0 0 29 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.947 111.4 48.0 -59.4 -47.0 27.1 -2.3 0.2 12 37 A E H X>S+ 0 0 15 -4,-2.5 4,-1.9 2,-0.2 5,-1.2 0.887 110.3 51.0 -60.6 -43.1 29.7 0.4 -0.1 13 38 A T H <5S+ 0 0 101 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.927 112.6 46.2 -62.5 -42.7 30.7 -0.7 -3.6 14 39 A D H <5S+ 0 0 139 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.841 112.3 50.3 -67.1 -36.8 27.1 -0.7 -4.7 15 40 A F H <5S- 0 0 4 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.786 100.2-142.1 -69.5 -31.9 26.5 2.8 -3.1 16 41 A N T <5 + 0 0 107 -4,-1.9 226,-0.5 1,-0.2 2,-0.2 0.935 68.5 72.3 65.8 49.4 29.6 4.0 -4.9 17 42 A G S -A 233 0A 12 5,-2.8 4,-2.4 -2,-0.4 208,-0.2 -0.890 10.5-163.2 -95.1 112.6 26.4 -3.4 22.5 26 51 A T T 4 S+ 0 0 50 206,-2.4 -1,-0.1 -2,-0.7 207,-0.1 0.562 86.3 57.3 -74.6 -5.8 26.8 -1.9 26.0 27 52 A G T 4 S+ 0 0 54 205,-0.3 -1,-0.2 204,-0.2 206,-0.1 0.889 124.0 15.5 -87.7 -45.7 25.6 -5.2 27.4 28 53 A S T 4 S- 0 0 68 2,-0.1 -2,-0.2 203,-0.1 3,-0.1 0.668 94.5-125.4-101.4 -23.6 28.1 -7.6 26.0 29 54 A G < + 0 0 51 -4,-2.4 -3,-0.1 1,-0.3 2,-0.1 0.474 61.6 142.0 89.1 2.2 30.8 -5.1 24.9 30 55 A K + 0 0 106 -5,-0.2 -5,-2.8 234,-0.1 -1,-0.3 -0.444 24.9 174.5 -76.0 151.8 30.7 -6.5 21.3 31 56 A S E -B 24 0A 37 234,-2.6 234,-2.1 -7,-0.2 2,-0.3 -0.893 27.1-144.1-149.4 176.2 31.1 -4.1 18.4 32 57 A F E -B 23 0A 9 -9,-1.8 -9,-2.1 -2,-0.3 2,-0.3 -0.973 19.6-177.7-148.2 130.8 31.4 -3.7 14.6 33 59 A S E +B 22 0A 61 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.982 13.0 171.6-134.8 147.5 33.5 -1.1 12.8 34 60 A Y E S-B 21 0A 27 -13,-2.1 -13,-2.7 -2,-0.3 -2,-0.0 -0.853 86.2 -18.8-154.2 114.3 34.1 -0.1 9.2 35 61 A R S > S+ 0 0 91 -2,-0.3 3,-1.7 -15,-0.2 124,-0.1 0.792 88.3 152.1 52.9 31.6 36.0 3.1 8.4 36 62 A A T 3 + 0 0 5 1,-0.3 123,-2.6 -15,-0.2 124,-0.4 0.715 66.7 49.2 -64.4 -21.8 35.1 4.0 12.0 37 63 A N T 3 S+ 0 0 134 121,-0.2 -1,-0.3 120,-0.1 2,-0.2 0.304 91.3 100.3-101.8 7.6 38.2 6.2 12.3 38 64 A E S < S- 0 0 66 -3,-1.7 2,-0.3 1,-0.1 121,-0.2 -0.589 76.0-106.4 -93.7 156.2 37.7 8.1 9.0 39 65 A R + 0 0 67 -2,-0.2 118,-0.2 118,-0.2 111,-0.1 -0.619 38.2 170.4 -86.0 140.7 36.3 11.7 8.8 40 66 A F E -E 156 0B 0 116,-2.4 116,-1.8 -2,-0.3 2,-0.1 -0.960 42.9 -91.1-142.0 150.8 32.8 12.3 7.5 41 67 A P E -E 155 0B 12 0, 0.0 114,-0.3 0, 0.0 198,-0.2 -0.417 26.0-147.4 -65.9 141.3 30.8 15.6 7.5 42 68 A L > + 0 0 0 112,-3.0 3,-1.7 94,-0.2 113,-0.1 0.867 28.6 175.3 -76.6 -35.1 28.6 16.0 10.6 43 69 A a G > S- 0 0 0 111,-0.6 3,-1.0 101,-0.4 -1,-0.1 -0.350 71.9 -23.1 58.0-145.2 25.9 17.9 8.7 44 70 A S G > S+ 0 0 15 1,-0.2 3,-2.0 2,-0.1 4,-0.3 0.593 118.7 93.9 -71.6 -7.4 22.9 18.5 11.2 45 71 A S G X S+ 0 0 0 -3,-1.7 3,-1.6 1,-0.3 4,-0.4 0.806 71.0 68.7 -57.5 -28.7 24.0 15.6 13.4 46 72 A F G X> S+ 0 0 0 -3,-1.0 4,-1.8 1,-0.3 3,-1.2 0.726 81.9 76.4 -63.0 -21.7 26.0 17.8 15.7 47 73 A K H <> S+ 0 0 0 -3,-2.0 4,-2.1 1,-0.3 -1,-0.3 0.811 86.2 60.8 -60.4 -28.6 22.8 19.4 16.9 48 74 A G H <> S+ 0 0 0 -3,-1.6 4,-0.7 -4,-0.3 -1,-0.3 0.796 108.9 43.2 -67.9 -27.8 22.2 16.3 19.0 49 75 A F H <> S+ 0 0 0 -3,-1.2 4,-1.8 -4,-0.4 -2,-0.2 0.772 106.6 60.0 -85.9 -28.9 25.4 17.2 20.8 50 76 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.922 103.2 53.4 -63.5 -41.2 24.5 20.9 21.0 51 77 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.873 107.0 51.2 -59.9 -39.3 21.5 19.9 23.0 52 78 A A H X S+ 0 0 0 -4,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.840 106.0 54.7 -67.6 -35.6 23.7 17.9 25.4 53 79 A A H X S+ 0 0 4 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.902 108.1 49.6 -64.6 -39.8 25.9 21.0 25.9 54 80 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.908 109.8 51.1 -64.2 -43.5 22.9 23.0 26.9 55 81 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.898 108.5 51.8 -61.6 -39.1 21.9 20.2 29.3 56 82 A K H X S+ 0 0 47 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.879 108.6 50.9 -64.9 -39.6 25.4 20.3 30.8 57 83 A G H <>S+ 0 0 1 -4,-1.9 5,-2.8 2,-0.2 6,-1.1 0.882 109.9 50.4 -64.6 -38.0 25.1 24.1 31.3 58 84 A S H ><5S+ 0 0 18 -4,-2.0 3,-1.3 3,-0.2 -2,-0.2 0.950 112.1 46.5 -61.7 -51.4 21.8 23.6 33.0 59 85 A Q H 3<5S+ 0 0 54 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.875 111.4 51.7 -57.5 -43.3 23.3 21.0 35.4 60 86 A D T 3<5S- 0 0 91 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.555 110.8-126.2 -70.7 -11.7 26.3 23.3 36.0 61 87 A N T < 5S+ 0 0 140 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.819 78.4 123.3 64.5 31.7 23.7 26.0 36.8 62 88 A R S - 0 0 89 -2,-0.3 3,-2.2 -3,-0.1 29,-0.3 -0.987 9.2-146.1-128.7 123.8 18.4 27.6 33.3 65 91 A L T 3 S+ 0 0 28 -2,-0.4 29,-2.8 1,-0.3 30,-0.4 0.709 99.8 63.0 -60.1 -19.0 16.3 25.6 30.8 66 92 A N T 3 S+ 0 0 129 26,-0.2 -1,-0.3 27,-0.2 2,-0.0 0.578 74.5 117.7 -83.6 -8.6 13.3 27.6 31.9 67 93 A Q < - 0 0 106 -3,-2.2 26,-2.0 25,-0.1 2,-0.5 -0.342 68.9-124.0 -60.7 132.0 14.7 30.9 30.7 68 94 A I E -G 92 0C 80 24,-0.2 2,-0.6 25,-0.1 24,-0.2 -0.708 19.7-149.2 -82.5 125.4 12.6 32.5 27.9 69 95 A V E -G 91 0C 1 22,-2.8 22,-1.4 -2,-0.5 2,-0.4 -0.875 10.9-158.1 -98.6 116.8 14.6 33.1 24.8 70 96 A N + 0 0 94 -2,-0.6 18,-0.1 20,-0.2 17,-0.1 -0.801 31.0 149.2 -97.7 135.7 13.4 36.2 22.9 71 97 A Y > + 0 0 3 16,-0.4 3,-2.1 -2,-0.4 -1,-0.1 0.062 20.9 134.4-151.7 28.3 14.2 36.5 19.1 72 98 A N T 3 S+ 0 0 93 1,-0.3 15,-0.0 16,-0.2 16,-0.0 0.590 79.7 44.2 -60.8 -13.0 11.2 38.4 17.8 73 99 A T T 3 S+ 0 0 133 2,-0.1 2,-0.4 14,-0.0 -1,-0.3 0.132 94.0 94.3-118.4 20.5 13.4 40.8 15.8 74 100 A R S < S- 0 0 47 -3,-2.1 2,-0.3 13,-0.1 -3,-0.1 -0.923 74.8-126.9-112.3 132.0 15.8 38.2 14.4 75 101 A S - 0 0 103 -2,-0.4 2,-0.2 1,-0.1 -2,-0.1 -0.658 31.7-124.3 -79.1 135.4 15.2 36.7 10.9 76 102 A L - 0 0 37 -2,-0.3 3,-0.1 1,-0.1 4,-0.1 -0.577 19.0-112.9 -86.7 147.2 15.2 32.9 11.1 77 103 A E - 0 0 43 -2,-0.2 30,-0.3 1,-0.2 29,-0.1 -0.155 48.0 -73.2 -69.0 164.2 17.4 30.5 9.1 78 104 A F S S+ 0 0 167 1,-0.2 28,-0.2 28,-0.1 -1,-0.2 -0.351 118.1 23.5 -59.2 134.3 16.2 28.1 6.4 79 105 A H S S+ 0 0 89 1,-0.1 27,-2.9 -3,-0.1 28,-0.3 0.998 71.1 144.4 66.6 72.9 14.3 25.2 8.1 80 106 A S > + 0 0 6 25,-0.2 4,-2.0 26,-0.2 5,-0.3 -0.483 10.7 159.8-133.3 60.3 13.2 26.6 11.4 81 107 A P H > S+ 0 0 39 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.820 75.6 32.6 -56.5 -35.8 9.9 24.8 11.7 82 108 A I H > S+ 0 0 25 2,-0.2 4,-1.4 3,-0.1 3,-0.2 0.916 117.0 49.6 -89.6 -49.2 9.6 25.3 15.5 83 109 A T H 4 S+ 0 0 0 1,-0.2 4,-0.4 2,-0.2 7,-0.2 0.847 109.0 56.0 -60.4 -32.2 11.3 28.7 16.2 84 110 A T H >< S+ 0 0 75 -4,-2.0 3,-0.9 1,-0.2 4,-0.3 0.907 105.0 52.7 -65.5 -40.1 9.2 30.2 13.4 85 111 A K H 3< S+ 0 0 167 -4,-0.6 -1,-0.2 -5,-0.3 -2,-0.2 0.807 118.9 34.2 -64.9 -31.8 6.0 29.1 15.1 86 112 A Y T 3X S+ 0 0 129 -4,-1.4 4,-2.0 1,-0.1 3,-0.4 0.201 81.6 115.5-110.9 17.5 6.9 30.6 18.4 87 113 A K T <4 + 0 0 57 -3,-0.9 -16,-0.4 -4,-0.4 -1,-0.1 0.800 69.4 59.7 -57.7 -34.8 8.8 33.7 17.2 88 114 A D T 4 S+ 0 0 138 -4,-0.3 -1,-0.2 -3,-0.2 -16,-0.2 0.923 124.0 14.6 -64.4 -44.9 6.3 36.3 18.6 89 115 A N T 4 S- 0 0 146 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.425 103.0-130.7-113.9 2.7 6.6 35.3 22.2 90 116 A G < - 0 0 15 -4,-2.0 2,-0.3 -7,-0.2 -1,-0.2 -0.140 16.5-105.7 78.4-178.0 9.7 33.2 22.3 91 117 A M E -G 69 0C 13 -22,-1.4 -22,-2.8 -4,-0.1 -8,-0.0 -0.984 32.2 -89.5-148.1 155.0 10.4 29.8 23.9 92 118 A S E > -G 68 0C 20 -2,-0.3 4,-2.4 -24,-0.2 -24,-0.2 -0.255 37.9-116.1 -60.8 157.0 12.2 28.4 26.9 93 119 A L H > S+ 0 0 1 -26,-2.0 4,-2.4 -29,-0.3 -27,-0.2 0.863 117.7 54.7 -62.7 -33.4 15.8 27.5 26.4 94 120 A G H > S+ 0 0 7 -29,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.933 109.3 44.6 -65.7 -47.9 14.8 23.9 27.1 95 121 A D H > S+ 0 0 101 -30,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.874 113.7 51.2 -65.2 -35.8 12.2 23.8 24.4 96 122 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.899 109.6 49.4 -68.1 -39.6 14.6 25.6 22.0 97 123 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.922 111.3 50.0 -64.5 -43.0 17.3 23.0 22.7 98 124 A A H X S+ 0 0 8 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.903 109.6 51.3 -61.7 -42.2 14.8 20.2 22.1 99 125 A A H X S+ 0 0 5 -4,-2.2 4,-2.2 1,-0.2 6,-1.6 0.881 102.3 58.9 -63.5 -41.9 13.7 21.7 18.8 100 126 A A H < S+ 0 0 1 -4,-2.0 -1,-0.2 4,-0.2 4,-0.2 0.898 118.0 33.8 -53.7 -40.1 17.3 22.0 17.5 101 127 A L H < S+ 0 0 0 -4,-1.4 3,-0.4 -3,-0.2 109,-0.2 0.970 121.8 41.9 -80.2 -59.3 17.6 18.2 18.0 102 128 A Q H < S+ 0 0 38 -4,-3.0 88,-1.8 1,-0.2 89,-0.2 0.707 132.8 20.7 -65.4 -27.2 14.1 16.9 17.1 103 129 A Y S < S- 0 0 91 -4,-2.2 -1,-0.2 -5,-0.3 3,-0.2 0.224 98.4-122.0-124.2 7.3 13.4 19.1 14.1 104 130 A S - 0 0 11 -3,-0.4 -4,-0.2 -5,-0.3 2,-0.2 0.803 42.6-167.7 53.7 29.7 17.0 20.0 13.2 105 131 A D > - 0 0 0 -6,-1.6 4,-2.0 1,-0.2 -25,-0.2 -0.285 15.8-162.9 -54.2 115.4 15.7 23.6 13.7 106 132 A N H > S+ 0 0 5 -27,-2.9 4,-2.7 -28,-0.2 5,-0.2 0.815 87.9 54.3 -74.5 -30.9 18.4 26.0 12.3 107 133 A G H > S+ 0 0 0 -30,-0.3 4,-2.7 -28,-0.3 5,-0.2 0.964 112.0 45.5 -65.2 -46.9 17.1 29.1 14.1 108 134 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.896 113.3 51.9 -59.8 -43.1 17.3 27.2 17.4 109 135 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.939 113.8 39.9 -62.4 -50.0 20.7 25.9 16.5 110 136 A N H X S+ 0 0 6 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.894 114.9 52.4 -71.0 -35.5 22.2 29.3 15.6 111 137 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 5,-0.3 0.957 113.7 43.6 -63.3 -48.0 20.5 31.1 18.5 112 138 A I H X>S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 5,-1.9 0.917 112.1 52.6 -64.4 -43.1 21.8 28.6 21.0 113 139 A L H <>S+ 0 0 0 -4,-2.4 6,-3.5 -5,-0.2 5,-1.1 0.924 116.1 42.2 -58.8 -41.9 25.3 28.5 19.4 114 140 A E H <5S+ 0 0 103 -4,-2.4 -2,-0.2 4,-0.2 -1,-0.2 0.944 125.0 28.6 -68.6 -55.6 25.5 32.3 19.7 115 140AA R H <5S+ 0 0 113 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.707 134.0 16.4 -85.2 -22.4 24.0 33.0 23.2 116 141 A Y T <5S+ 0 0 48 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.733 122.3 40.9-124.7 -29.6 24.8 29.9 25.2 117 142 A I T < - 0 0 51 -5,-1.1 4,-1.9 -6,-0.3 3,-0.3 0.794 55.6 -89.2 90.5 30.1 30.2 30.1 22.4 119 144 A G H > S- 0 0 5 -6,-3.5 4,-2.4 2,-0.2 3,-0.3 -0.064 80.3 -32.1 62.3-168.8 29.7 29.4 18.6 120 145 A P H > S+ 0 0 13 0, 0.0 4,-2.7 0, 0.0 17,-0.4 0.868 141.2 54.1 -49.3 -41.1 31.6 26.7 16.7 121 146 A E H > S+ 0 0 157 -3,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.918 110.3 45.5 -61.2 -46.2 34.6 27.2 19.0 122 147 A G H X S+ 0 0 10 -4,-1.9 4,-2.6 -3,-0.3 -1,-0.2 0.880 111.8 51.3 -65.6 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