==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JUN-09 3HVF . COMPND 2 MOLECULE: CTX-M-9 EXTENDED-SPECTRUM BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.DELMAS,D.LEYSSENE,D.DUBOIS,E.VAZEILLE,F.ROBIN,R.BONNET . 525 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 372 70.9 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 . 82 15.6 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 . 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 . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 0 0 6 0 6 3 1 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 2 0 2 2 0 2 2 2 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 25 A Q 0 0 79 0, 0.0 2,-0.5 0, 0.0 412,-0.0 0.000 360.0 360.0 360.0 160.2 19.7 5.5 2.6 2 26 A T - 0 0 62 4,-0.0 2,-0.1 3,-0.0 414,-0.1 -0.983 360.0-153.6-120.8 122.0 18.6 2.3 0.9 3 27 A S > - 0 0 49 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.386 30.8-105.4 -87.9 171.1 20.7 -0.8 1.4 4 28 A A H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.894 123.6 49.7 -62.1 -41.2 21.1 -3.8 -0.9 5 29 A V H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 109.9 50.1 -65.3 -41.9 18.9 -5.8 1.4 6 30 A Q H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.900 109.3 52.6 -64.6 -36.5 16.3 -3.1 1.5 7 31 A Q H X S+ 0 0 98 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.917 109.8 48.0 -64.3 -41.2 16.4 -3.0 -2.4 8 32 A K H X S+ 0 0 109 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.901 110.9 50.9 -66.3 -39.2 15.8 -6.8 -2.5 9 33 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.891 108.6 52.1 -65.3 -37.0 12.9 -6.6 -0.0 10 34 A A H X S+ 0 0 35 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.899 110.0 49.0 -65.9 -37.5 11.4 -3.8 -2.2 11 35 A A H X S+ 0 0 55 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.922 111.5 49.2 -66.9 -42.6 11.7 -6.1 -5.3 12 36 A L H X S+ 0 0 29 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.940 112.0 48.6 -60.8 -47.9 10.1 -9.0 -3.3 13 37 A E H >X S+ 0 0 18 -4,-2.7 4,-1.2 1,-0.2 3,-0.5 0.912 108.5 54.4 -58.3 -45.2 7.3 -6.7 -2.2 14 38 A K H 3< S+ 0 0 183 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.914 110.9 44.1 -57.5 -43.5 6.7 -5.4 -5.7 15 39 A S H 3< S+ 0 0 111 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.678 108.2 60.5 -74.8 -18.0 6.3 -8.9 -7.1 16 40 A S H << S- 0 0 12 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.714 94.6-139.2 -80.5 -26.4 4.0 -10.0 -4.2 17 41 A G S < S+ 0 0 58 -4,-1.2 -3,-0.1 -3,-0.5 -4,-0.1 0.330 71.9 82.7 81.9 -6.2 1.4 -7.3 -4.9 18 42 A G S S- 0 0 18 -5,-0.4 2,-0.5 222,-0.1 -1,-0.3 -0.141 86.8 -84.8-110.2-155.8 1.0 -6.6 -1.1 19 43 A R E -A 239 0A 68 220,-2.8 220,-2.1 -3,-0.1 2,-0.4 -0.985 38.3-163.1-123.6 124.1 2.7 -4.6 1.6 20 44 A L E -A 238 0A 0 -2,-0.5 2,-0.4 218,-0.2 218,-0.2 -0.881 7.2-171.5-112.8 138.7 5.7 -6.0 3.5 21 45 A G E +A 237 0A 0 216,-2.9 216,-2.9 -2,-0.4 2,-0.4 -0.993 9.8 178.2-129.9 128.9 7.2 -5.0 6.8 22 46 A V E +AB 236 35A 0 13,-2.7 13,-2.6 -2,-0.4 2,-0.3 -0.993 10.9 177.7-134.1 142.1 10.4 -6.3 8.2 23 47 A A E -AB 235 34A 2 212,-1.9 212,-2.4 -2,-0.4 2,-0.4 -0.950 6.2-178.4-144.7 119.8 12.5 -5.6 11.2 24 48 A L E -AB 234 33A 7 9,-2.6 9,-1.6 -2,-0.3 2,-0.4 -0.949 8.3-169.7-114.7 137.9 15.7 -7.4 12.1 25 49 A I E -AB 233 32A 2 208,-2.5 208,-2.2 -2,-0.4 2,-0.7 -0.998 9.5-157.7-120.9 124.5 17.9 -6.9 15.2 26 50 A D E >>> -AB 232 31A 7 5,-2.7 4,-2.2 -2,-0.4 3,-1.4 -0.906 1.7-162.0 -99.7 108.8 21.3 -8.6 15.1 27 51 A T T 345S+ 0 0 28 204,-2.1 205,-0.1 -2,-0.7 -1,-0.1 0.546 80.6 81.0 -73.1 2.0 22.4 -9.0 18.7 28 52 A A T 345S- 0 0 59 202,-0.3 -1,-0.2 203,-0.2 204,-0.1 0.784 125.7 -6.2 -71.1 -29.6 26.0 -9.5 17.5 29 53 A D T <45S- 0 0 90 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.1 0.307 95.8-112.5-146.7 1.9 26.3 -5.8 17.2 30 54 A N T <5 + 0 0 92 -4,-2.2 -3,-0.2 1,-0.2 2,-0.1 0.598 66.2 149.9 68.7 14.2 22.7 -4.5 18.0 31 55 A T E < -B 26 0A 70 -5,-0.6 -5,-2.7 -6,-0.1 2,-0.4 -0.360 31.7-148.3 -75.7 158.5 22.4 -3.3 14.4 32 56 A Q E -B 25 0A 82 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.950 15.0-162.1-132.6 148.9 19.0 -3.2 12.7 33 57 A V E -B 24 0A 38 -9,-1.6 -9,-2.6 -2,-0.4 2,-0.4 -1.000 21.6-178.1-128.4 124.5 17.6 -3.6 9.2 34 59 A L E -B 23 0A 27 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.954 20.8-173.8-128.3 147.5 14.1 -2.3 8.6 35 60 A Y E S-B 22 0A 31 -13,-2.6 -13,-2.7 -2,-0.4 4,-0.1 -0.970 91.4 -15.2-137.8 116.0 11.7 -2.2 5.7 36 61 A R S > S+ 0 0 89 -2,-0.4 3,-1.5 -15,-0.2 123,-0.1 0.887 90.5 163.4 52.4 39.4 8.6 -0.2 6.3 37 62 A G T 3 + 0 0 6 1,-0.3 122,-2.4 121,-0.1 123,-0.4 0.689 66.3 42.0 -62.4 -25.0 9.8 -0.5 9.9 38 63 A D T 3 S+ 0 0 104 120,-0.1 2,-0.3 119,-0.1 -1,-0.3 0.268 90.9 103.3-109.5 11.9 7.6 2.3 11.2 39 64 A E S < S- 0 0 68 -3,-1.5 2,-0.3 -4,-0.1 120,-0.1 -0.675 74.3-113.6 -90.7 148.5 4.4 1.5 9.3 40 65 A R + 0 0 96 -2,-0.3 117,-0.2 117,-0.2 110,-0.2 -0.588 34.0 179.9 -84.3 142.6 1.5 -0.2 11.2 41 66 A F E -E 156 0B 1 115,-2.5 115,-1.8 -2,-0.3 2,-0.3 -0.981 37.7 -99.6-135.8 150.7 0.4 -3.7 10.4 42 67 A P E -E 155 0B 11 0, 0.0 113,-0.2 0, 0.0 196,-0.2 -0.537 29.8-155.0 -69.3 129.7 -2.3 -5.9 11.9 43 68 A M > + 0 0 0 111,-2.3 3,-1.9 -2,-0.3 112,-0.1 0.815 23.2 171.4 -74.4 -35.2 -0.7 -8.3 14.3 44 69 A C G > S- 0 0 0 110,-0.5 3,-2.1 100,-0.5 4,-0.2 -0.247 73.0 -5.8 50.5-139.9 -3.2 -11.1 14.2 45 70 A G G > S+ 0 0 2 167,-0.3 3,-1.8 1,-0.3 4,-0.3 0.613 121.1 78.2 -58.1 -16.8 -1.9 -14.1 16.2 46 71 A T G X S+ 0 0 0 -3,-1.9 3,-1.3 1,-0.3 4,-0.5 0.787 81.9 70.1 -65.4 -19.0 1.6 -12.6 16.7 47 72 A S G <> S+ 0 0 1 -3,-2.1 4,-1.7 1,-0.2 3,-0.3 0.679 78.8 79.2 -67.5 -16.8 -0.2 -10.6 19.5 48 73 A K H <> S+ 0 0 4 -3,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.799 83.9 61.8 -63.7 -25.7 -0.4 -13.9 21.5 49 74 A V H <> S+ 0 0 4 -3,-1.3 4,-2.5 -4,-0.3 -1,-0.2 0.926 103.9 47.6 -65.9 -41.9 3.2 -13.5 22.5 50 75 A M H > S+ 0 0 2 -4,-0.5 4,-2.0 -3,-0.3 -2,-0.2 0.909 112.7 49.3 -65.7 -39.8 2.4 -10.2 24.3 51 76 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.944 113.4 45.0 -65.5 -47.0 -0.6 -11.8 26.1 52 77 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.918 113.3 51.3 -63.1 -41.5 1.4 -14.9 27.2 53 78 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.855 106.4 54.5 -63.5 -36.2 4.3 -12.7 28.3 54 79 A A H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.899 109.7 46.9 -64.5 -40.7 1.9 -10.5 30.4 55 80 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.900 109.6 53.9 -67.4 -39.2 0.6 -13.5 32.2 56 81 A L H X S+ 0 0 1 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.916 107.2 52.1 -59.7 -40.7 4.2 -14.7 32.8 57 82 A K H >< S+ 0 0 70 -4,-2.3 3,-1.4 1,-0.2 4,-0.4 0.940 108.6 49.8 -61.6 -43.8 4.9 -11.3 34.3 58 83 A Q H >< S+ 0 0 60 -4,-2.1 3,-1.3 1,-0.3 4,-0.3 0.866 103.8 60.8 -61.1 -36.5 1.9 -11.7 36.7 59 84 A S H >< S+ 0 0 11 -4,-2.2 3,-0.5 1,-0.3 -1,-0.3 0.657 85.4 77.3 -67.2 -15.5 3.2 -15.1 37.6 60 85 A E T << S+ 0 0 68 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.833 106.0 32.2 -64.2 -30.9 6.4 -13.6 39.0 61 86 A T T < S+ 0 0 128 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.2 0.350 120.2 55.5-107.1 5.5 4.6 -12.5 42.1 62 87 A Q X - 0 0 91 -3,-0.5 3,-1.8 -4,-0.3 4,-0.4 -0.817 63.8-169.4-139.1 92.1 2.1 -15.5 42.2 63 88 A K T 3 S+ 0 0 191 -2,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.700 88.1 42.7 -54.9 -27.4 4.0 -18.8 42.2 64 89 A Q T > S+ 0 0 116 1,-0.1 3,-1.4 2,-0.1 4,-0.3 0.367 82.0 101.3-103.0 3.1 0.8 -20.8 41.6 65 90 A L G X S+ 0 0 2 -3,-1.8 3,-1.9 1,-0.3 29,-0.5 0.897 79.0 55.1 -55.2 -46.5 -0.8 -18.6 38.9 66 91 A L G 3 S+ 0 0 30 -4,-0.4 29,-2.4 1,-0.3 30,-0.4 0.693 107.2 52.3 -63.6 -17.4 0.2 -20.8 36.0 67 92 A N G < S+ 0 0 96 -3,-1.4 -1,-0.3 27,-0.2 -2,-0.2 0.410 82.3 119.9 -95.9 1.0 -1.5 -23.7 37.8 68 93 A Q < - 0 0 78 -3,-1.9 26,-1.1 -4,-0.3 2,-0.2 -0.493 63.7-126.1 -69.8 130.3 -4.8 -21.8 38.2 69 94 A P E -F 93 0C 88 0, 0.0 2,-0.4 0, 0.0 24,-0.2 -0.518 20.6-164.2 -79.5 143.8 -7.8 -23.5 36.5 70 95 A V E -F 92 0C 32 22,-2.1 22,-2.0 -2,-0.2 2,-0.2 -0.996 22.4-121.0-126.7 129.5 -9.9 -21.5 34.0 71 96 A E E -F 91 0C 120 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.499 18.1-156.0 -73.0 136.4 -13.3 -22.8 33.0 72 97 A I E -F 90 0C 0 18,-2.4 17,-2.6 15,-0.4 18,-0.7 -0.963 15.3-172.4-113.6 115.6 -13.9 -23.5 29.3 73 98 A K >> - 0 0 83 -2,-0.6 3,-1.9 15,-0.2 4,-0.6 -0.730 37.7-110.6-105.8 156.5 -17.6 -23.4 28.4 74 99 A P G >4 S+ 0 0 72 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.882 118.9 57.5 -51.5 -39.5 -19.3 -24.3 25.1 75 100 A A G 34 S+ 0 0 95 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.690 95.5 66.6 -66.7 -17.1 -20.0 -20.6 24.5 76 101 A D G <4 S+ 0 0 44 -3,-1.9 -1,-0.2 8,-0.1 35,-0.1 0.718 75.2 105.8 -75.4 -24.1 -16.3 -19.8 24.8 77 102 A L << + 0 0 56 -3,-1.2 2,-0.1 -4,-0.6 4,-0.1 -0.358 46.5 173.8 -61.7 136.9 -15.4 -21.6 21.6 78 103 A V - 0 0 46 2,-0.0 3,-0.2 -2,-0.0 -1,-0.1 -0.040 50.5 -51.7-116.6-137.8 -14.6 -19.3 18.7 79 104 A N S S+ 0 0 103 1,-0.2 2,-0.3 -2,-0.1 -2,-0.1 0.602 122.8 23.9 -84.6 -15.3 -13.2 -19.9 15.1 80 105 A Y + 0 0 118 1,-0.0 27,-2.8 25,-0.0 28,-0.6 -0.787 63.2 147.5-156.9 102.7 -10.1 -22.0 15.9 81 106 A N > + 0 0 17 -2,-0.3 4,-2.3 25,-0.2 5,-0.2 -0.364 3.0 156.8-138.7 55.2 -9.8 -24.0 19.1 82 107 A P T 4 S+ 0 0 36 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.791 86.0 26.4 -57.6 -30.3 -7.8 -27.2 18.5 83 108 A I T >4 S+ 0 0 27 2,-0.1 3,-1.3 -3,-0.1 4,-0.4 0.860 118.7 54.4 -98.1 -48.5 -6.9 -27.5 22.2 84 109 A A G >4 S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.829 97.2 66.1 -57.1 -35.8 -9.7 -25.8 24.0 85 110 A E G >< S+ 0 0 118 -4,-2.3 3,-0.9 1,-0.3 -1,-0.3 0.824 95.9 58.2 -58.1 -29.5 -12.4 -27.9 22.3 86 111 A K G < S+ 0 0 154 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.667 108.9 46.2 -71.7 -16.7 -11.0 -31.0 24.2 87 112 A H G X S+ 0 0 53 -3,-1.9 3,-2.2 -4,-0.4 -15,-0.4 0.206 74.0 140.9-113.9 12.9 -11.7 -29.2 27.5 88 113 A V T < S+ 0 0 37 -3,-0.9 -15,-0.2 1,-0.3 3,-0.1 -0.313 78.7 17.0 -59.5 139.3 -15.2 -27.8 27.1 89 114 A N T 3 S+ 0 0 113 -17,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.589 126.4 69.8 67.0 14.6 -17.2 -28.2 30.3 90 115 A G E < S-F 72 0C 29 -3,-2.2 -18,-2.4 -18,-0.7 -1,-0.3 -0.420 83.9 -99.6-131.1-152.2 -13.8 -28.7 32.0 91 116 A T E -F 71 0C 67 -20,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.937 14.6-158.7-138.7 161.9 -10.8 -26.5 32.8 92 117 A M E -F 70 0C 1 -22,-2.0 -22,-2.1 -2,-0.3 2,-0.1 -0.984 26.7-121.7-135.3 143.1 -7.3 -25.6 31.6 93 118 A T E > -F 69 0C 32 -2,-0.3 4,-2.7 -24,-0.2 5,-0.2 -0.387 30.3-107.2 -78.3 165.3 -4.6 -24.0 33.7 94 119 A L H > S+ 0 0 0 -26,-1.1 4,-2.4 -29,-0.5 -28,-0.2 0.857 123.6 53.1 -63.4 -30.3 -3.1 -20.7 32.7 95 120 A A H > S+ 0 0 26 -29,-2.4 4,-3.0 2,-0.2 5,-0.2 0.950 109.7 47.9 -66.8 -44.2 0.1 -22.6 31.6 96 121 A E H > S+ 0 0 89 -30,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.899 113.2 48.1 -61.3 -40.5 -2.0 -24.9 29.4 97 122 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.900 111.9 49.5 -67.8 -40.0 -3.8 -21.9 27.9 98 123 A S H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.944 112.9 46.2 -63.1 -48.8 -0.4 -20.1 27.3 99 124 A A H X>S+ 0 0 21 -4,-3.0 4,-2.8 1,-0.2 5,-0.5 0.910 114.1 48.5 -62.2 -40.8 1.1 -23.1 25.6 100 125 A A H X>S+ 0 0 4 -4,-2.4 6,-2.0 -5,-0.2 4,-1.6 0.932 112.5 48.1 -65.7 -42.9 -2.1 -23.7 23.5 101 126 A A H <5S+ 0 0 0 -4,-2.7 4,-0.4 4,-0.3 -2,-0.2 0.917 121.9 34.8 -62.8 -42.7 -2.2 -20.0 22.4 102 127 A L H <5S+ 0 0 1 -4,-2.5 108,-0.2 -5,-0.2 -2,-0.2 0.924 125.8 34.3 -79.4 -50.2 1.4 -19.9 21.5 103 128 A Q H <5S+ 0 0 37 -4,-2.8 87,-2.0 -5,-0.3 88,-0.3 0.757 136.0 20.9 -83.6 -25.9 2.2 -23.4 20.1 104 129 A Y T < - 0 0 0 -6,-2.0 4,-1.8 1,-0.2 -25,-0.2 -0.443 15.7-158.8 -64.7 121.4 -5.7 -21.6 19.9 107 132 A N H > S+ 0 0 11 -27,-2.8 4,-2.0 -2,-0.3 34,-0.3 0.814 90.5 52.8 -75.4 -32.7 -8.0 -18.6 19.8 108 133 A T H > S+ 0 0 1 -28,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.918 109.5 51.5 -66.1 -41.9 -10.2 -19.6 22.8 109 134 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.935 107.8 52.0 -59.5 -45.4 -6.9 -19.9 24.8 110 135 A M H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.931 106.2 54.4 -56.8 -44.3 -5.9 -16.4 23.7 111 136 A N H X S+ 0 0 33 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.866 106.4 51.7 -60.4 -33.3 -9.3 -15.1 24.9 112 137 A K H X S+ 0 0 39 -4,-1.8 4,-2.1 -3,-0.2 -1,-0.2 0.879 109.2 49.8 -70.6 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