==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAY-09 3HLW . COMPND 2 MOLECULE: CTX-M-9 EXTENDED-SPECTRUM BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.DELMAS,D.LEYSSNE,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) . 21522.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 381 72.6 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 . 9 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 0 0 0 0 0 0 4 2 6 2 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 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 75 0, 0.0 2,-0.4 0, 0.0 412,-0.0 0.000 360.0 360.0 360.0 167.7 -2.2 76.9 20.8 2 26 A T - 0 0 60 4,-0.0 414,-0.1 3,-0.0 2,-0.0 -0.938 360.0-155.0-136.5 111.3 -1.3 73.6 22.4 3 27 A S > - 0 0 49 -2,-0.4 4,-2.3 1,-0.1 5,-0.1 -0.221 32.4-103.2 -79.1 171.2 -3.5 70.5 21.8 4 28 A A H > S+ 0 0 59 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.910 123.9 49.4 -60.6 -44.8 -3.8 67.4 24.0 5 29 A V H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.918 110.7 50.6 -61.7 -41.9 -1.6 65.4 21.7 6 30 A Q H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.890 109.5 51.1 -63.8 -36.8 1.0 68.2 21.7 7 31 A Q H X S+ 0 0 99 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.904 110.6 48.4 -66.5 -40.9 0.9 68.2 25.5 8 32 A K H X S+ 0 0 115 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.901 110.6 50.6 -66.3 -40.1 1.4 64.5 25.7 9 33 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.894 108.8 53.1 -65.5 -36.1 4.3 64.7 23.2 10 34 A A H X S+ 0 0 35 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.897 109.4 48.3 -64.9 -39.3 5.8 67.5 25.4 11 35 A A H X S+ 0 0 55 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.900 111.4 50.2 -67.1 -40.9 5.6 65.2 28.5 12 36 A L H X S+ 0 0 28 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.932 110.5 50.0 -60.7 -48.0 7.2 62.4 26.6 13 37 A E H X>S+ 0 0 17 -4,-2.6 4,-1.1 1,-0.2 5,-0.6 0.923 108.5 52.4 -58.3 -45.9 10.0 64.7 25.4 14 38 A K H <5S+ 0 0 183 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.913 112.4 43.9 -58.7 -43.5 10.7 65.9 29.0 15 39 A S H <5S+ 0 0 106 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.729 106.6 63.9 -73.1 -23.5 11.0 62.4 30.4 16 40 A S H <5S- 0 0 8 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.734 96.0-135.0 -71.6 -32.5 13.2 61.3 27.5 17 41 A G T <5S+ 0 0 53 -4,-1.1 2,-0.1 -3,-0.5 -3,-0.1 0.464 73.8 76.5 86.6 4.7 16.1 63.7 28.2 18 42 A G S >> -AB 232 31A 7 5,-2.4 4,-2.2 -2,-0.4 3,-1.3 -0.910 2.2-161.5-102.1 109.0 -3.8 62.6 8.2 27 51 A T T 345S+ 0 0 27 204,-2.1 205,-0.1 -2,-0.7 -1,-0.1 0.529 80.7 79.3 -72.1 -1.2 -4.9 62.3 4.5 28 52 A A T 345S- 0 0 60 202,-0.2 -1,-0.2 203,-0.2 204,-0.1 0.838 125.9 -4.6 -71.1 -29.9 -8.5 61.7 5.6 29 53 A D T <45S- 0 0 92 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.1 0.299 94.9-115.1-143.4 1.9 -8.9 65.4 6.2 30 54 A N T <5 + 0 0 91 -4,-2.2 -3,-0.2 1,-0.2 2,-0.1 0.611 64.0 150.1 66.9 14.5 -5.4 66.8 5.5 31 55 A T E < -B 26 0A 73 -5,-0.6 -5,-2.4 -6,-0.1 2,-0.3 -0.364 31.4-148.1 -76.8 156.5 -5.1 67.9 9.1 32 56 A Q E -B 25 0A 91 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.935 15.5-159.5-129.4 150.3 -1.7 68.1 10.8 33 57 A V E -B 24 0A 33 -9,-1.7 -9,-2.5 -2,-0.3 2,-0.4 -0.995 21.9-176.1-127.2 120.8 -0.2 67.6 14.2 34 59 A L E -B 23 0A 28 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.940 18.3-178.2-121.6 142.8 3.2 69.2 14.7 35 60 A Y E S-B 22 0A 30 -13,-2.5 -13,-2.6 -2,-0.4 4,-0.1 -0.957 90.7 -17.3-137.3 112.0 5.6 69.1 17.6 36 61 A R S > S+ 0 0 92 -2,-0.4 3,-1.6 -15,-0.2 123,-0.1 0.870 91.0 162.7 55.5 37.0 8.8 71.2 17.0 37 62 A G T 3 + 0 0 5 1,-0.3 122,-2.5 121,-0.1 123,-0.4 0.698 66.2 42.7 -62.0 -23.2 7.6 70.9 13.4 38 63 A D T 3 S+ 0 0 103 120,-0.1 2,-0.3 119,-0.1 -1,-0.3 0.253 90.5 103.9-111.0 12.8 9.7 73.7 12.2 39 64 A E S < S- 0 0 66 -3,-1.6 2,-0.2 -4,-0.1 120,-0.1 -0.706 74.3-113.9 -90.7 147.9 12.9 72.9 14.1 40 65 A R + 0 0 96 -2,-0.3 117,-0.2 117,-0.2 110,-0.2 -0.557 34.7 179.5 -84.1 139.5 15.9 71.3 12.2 41 66 A F E -E 156 0B 2 115,-2.4 115,-1.8 -2,-0.2 2,-0.3 -0.983 37.3-100.4-132.7 148.8 17.0 67.8 13.0 42 67 A P E -E 155 0B 14 0, 0.0 113,-0.2 0, 0.0 196,-0.2 -0.545 29.1-155.5 -67.1 128.7 19.7 65.6 11.5 43 68 A M > + 0 0 0 111,-2.4 3,-2.0 -2,-0.3 112,-0.1 0.806 23.4 170.2 -73.3 -36.8 18.1 63.2 9.1 44 69 A C G > S- 0 0 0 100,-0.5 3,-2.2 110,-0.5 4,-0.2 -0.225 73.5 -3.7 49.8-136.8 20.7 60.5 9.2 45 70 A G G > S+ 0 0 0 167,-0.3 3,-1.7 1,-0.3 4,-0.3 0.624 121.0 77.2 -59.2 -17.1 19.4 57.4 7.3 46 71 A T G X S+ 0 0 0 -3,-2.0 3,-1.4 1,-0.3 4,-0.5 0.783 81.5 71.0 -65.2 -20.0 16.0 58.9 6.7 47 72 A S G X> S+ 0 0 1 -3,-2.2 4,-1.6 1,-0.3 3,-0.5 0.693 77.6 80.0 -65.4 -19.2 17.7 60.9 3.9 48 73 A K H <> S+ 0 0 2 -3,-1.7 4,-2.5 1,-0.2 -1,-0.3 0.795 83.0 62.5 -60.8 -27.8 18.0 57.6 2.0 49 74 A V H <> S+ 0 0 4 -3,-1.4 4,-2.6 -4,-0.3 -1,-0.2 0.921 102.9 49.0 -63.4 -40.9 14.4 58.0 0.9 50 75 A M H <> S+ 0 0 2 -3,-0.5 4,-2.1 -4,-0.5 -2,-0.2 0.923 112.3 47.6 -66.7 -40.9 15.2 61.3 -1.0 51 76 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.932 113.8 46.4 -66.1 -45.8 18.1 59.7 -2.8 52 77 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.924 112.7 51.0 -61.4 -42.7 16.2 56.6 -3.8 53 78 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.875 106.9 54.1 -62.2 -38.2 13.3 58.8 -5.0 54 79 A A H X S+ 0 0 3 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.895 109.8 47.0 -64.5 -37.9 15.6 60.9 -7.0 55 80 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.909 109.8 53.2 -71.7 -36.7 16.9 57.9 -8.8 56 81 A L H X S+ 0 0 1 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.917 107.4 52.4 -61.1 -42.5 13.4 56.6 -9.4 57 82 A K H >< S+ 0 0 68 -4,-2.4 3,-1.4 1,-0.2 4,-0.4 0.936 107.8 51.0 -59.1 -44.2 12.6 60.0 -10.9 58 83 A Q H >< S+ 0 0 62 -4,-2.0 3,-1.3 1,-0.3 4,-0.3 0.871 103.3 60.4 -61.3 -35.1 15.6 59.6 -13.3 59 84 A S H >< S+ 0 0 9 -4,-2.0 3,-0.6 1,-0.3 -1,-0.3 0.661 86.2 75.9 -69.4 -14.2 14.3 56.2 -14.3 60 85 A E T << S+ 0 0 65 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.803 105.1 35.5 -66.0 -28.9 11.1 57.7 -15.6 61 86 A T T < S+ 0 0 129 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.2 0.368 120.6 52.2-107.1 8.0 12.9 58.9 -18.6 62 87 A Q X - 0 0 93 -3,-0.6 3,-1.7 -4,-0.3 4,-0.4 -0.807 63.7-168.6-143.3 91.2 15.2 55.8 -18.8 63 88 A K T 3 S+ 0 0 72 -2,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.562 91.0 43.0 -58.5 -8.0 13.3 52.5 -18.7 64 89 A Q T > S+ 0 0 133 2,-0.1 3,-1.6 1,-0.1 4,-0.3 0.421 80.4 99.6-117.4 -3.9 16.6 50.7 -18.1 65 90 A L G X S+ 0 0 3 -3,-1.7 3,-2.1 1,-0.3 29,-0.5 0.881 79.3 58.5 -52.9 -43.8 18.3 52.9 -15.5 66 91 A L G 3 S+ 0 0 34 -4,-0.4 29,-2.4 1,-0.3 30,-0.4 0.696 104.8 52.3 -64.1 -15.9 17.4 50.6 -12.6 67 92 A N G < S+ 0 0 95 -3,-1.6 -1,-0.3 27,-0.2 -2,-0.2 0.425 80.9 121.7 -98.9 4.2 19.1 47.8 -14.4 68 93 A Q < - 0 0 82 -3,-2.1 26,-1.2 -4,-0.3 2,-0.2 -0.478 63.0-128.2 -69.6 124.6 22.4 49.7 -14.8 69 94 A P E -F 93 0C 82 0, 0.0 2,-0.4 0, 0.0 24,-0.2 -0.505 19.9-161.9 -78.3 141.2 25.3 47.9 -13.1 70 95 A V E -F 92 0C 28 22,-2.4 22,-2.0 -2,-0.2 2,-0.2 -0.992 20.5-122.1-124.0 127.9 27.4 49.8 -10.7 71 96 A E E -F 91 0C 132 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.505 18.3-155.7 -69.8 135.2 30.9 48.6 -9.7 72 97 A I E -F 90 0C 0 18,-2.4 17,-2.6 15,-0.4 18,-0.7 -0.967 14.7-169.8-112.4 113.6 31.5 47.9 -6.0 73 98 A K >> - 0 0 107 -2,-0.6 3,-1.9 15,-0.2 4,-0.5 -0.739 35.5-114.4-101.2 154.4 35.2 48.1 -5.1 74 99 A P G >4 S+ 0 0 70 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.868 118.1 57.5 -50.5 -39.3 36.8 47.1 -1.8 75 100 A A G 34 S+ 0 0 93 1,-0.2 -3,-0.0 -3,-0.0 13,-0.0 0.656 95.2 66.3 -67.2 -18.1 37.7 50.8 -1.3 76 101 A D G <4 S+ 0 0 45 -3,-1.9 -1,-0.2 2,-0.0 2,-0.1 0.663 75.0 108.9 -76.2 -24.4 34.0 51.8 -1.6 77 102 A L << + 0 0 57 -3,-1.1 2,-0.1 -4,-0.5 4,-0.0 -0.390 44.2 175.8 -61.9 131.7 33.0 50.1 1.6 78 103 A V - 0 0 48 -2,-0.1 3,-0.2 2,-0.1 -1,-0.1 0.028 49.8 -56.3-108.6-138.1 32.2 52.3 4.5 79 104 A N S S+ 0 0 104 1,-0.2 2,-0.2 -2,-0.1 -2,-0.1 0.464 120.8 29.1 -92.6 -4.8 30.9 51.6 8.0 80 105 A Y + 0 0 119 1,-0.0 27,-2.9 0, 0.0 28,-0.7 -0.689 62.6 146.0-159.8 95.9 27.6 49.7 7.4 81 106 A N > + 0 0 17 25,-0.2 4,-2.2 -2,-0.2 5,-0.2 -0.394 2.4 156.6-135.3 53.8 27.4 47.6 4.3 82 107 A P T 4 S+ 0 0 38 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.795 86.7 24.6 -58.8 -27.7 25.4 44.4 5.0 83 108 A I T >4 S+ 0 0 27 -3,-0.1 3,-1.4 2,-0.1 4,-0.3 0.848 119.3 54.1-100.6 -49.9 24.5 44.0 1.3 84 109 A A G >4 S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.819 97.1 66.8 -58.0 -34.0 27.3 45.8 -0.6 85 110 A E G >< S+ 0 0 113 -4,-2.2 3,-0.8 1,-0.3 -1,-0.3 0.803 95.8 57.5 -59.7 -27.3 30.1 43.8 1.1 86 111 A K G < S+ 0 0 147 -3,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.634 108.1 47.9 -76.3 -12.4 28.8 40.6 -0.6 87 112 A H G X S+ 0 0 54 -3,-1.9 3,-2.0 -4,-0.3 -15,-0.4 0.200 73.1 140.0-116.3 12.8 29.3 42.3 -4.0 88 113 A V T < S+ 0 0 38 -3,-0.8 -15,-0.2 1,-0.3 3,-0.1 -0.333 78.6 18.3 -59.5 137.8 32.8 43.7 -3.7 89 114 A N T 3 S+ 0 0 124 -17,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.630 125.6 72.5 67.8 16.1 34.7 43.3 -7.0 90 115 A G E < S-F 72 0C 29 -3,-2.0 -18,-2.4 -18,-0.7 -1,-0.3 -0.487 82.8 -99.2-133.0-156.5 31.4 42.8 -8.6 91 116 A T E -F 71 0C 72 -20,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.928 16.4-163.2-135.2 158.6 28.4 44.9 -9.5 92 117 A M E -F 70 0C 1 -22,-2.0 -22,-2.4 -2,-0.3 2,-0.1 -0.986 25.5-122.9-135.1 143.8 24.9 45.9 -8.2 93 118 A T E > -F 69 0C 30 -2,-0.3 4,-2.7 -24,-0.2 5,-0.2 -0.438 29.2-109.1 -79.4 162.2 22.1 47.5 -10.3 94 119 A L H > S+ 0 0 0 -26,-1.2 4,-2.4 -29,-0.5 -27,-0.2 0.854 122.6 54.3 -61.5 -30.6 20.6 50.8 -9.2 95 120 A A H > S+ 0 0 26 -29,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.953 109.6 46.9 -65.8 -44.2 17.5 48.8 -8.2 96 121 A E H > S+ 0 0 88 -30,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.889 113.5 49.0 -62.7 -39.5 19.5 46.5 -6.0 97 122 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.892 110.7 49.9 -68.7 -38.0 21.3 49.6 -4.5 98 123 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.935 112.6 46.8 -64.4 -47.7 18.0 51.3 -3.9 99 124 A A H X S+ 0 0 20 -4,-2.8 4,-2.9 1,-0.2 5,-0.5 0.903 113.7 49.0 -61.8 -40.9 16.5 48.3 -2.2 100 125 A A H X S+ 0 0 4 -4,-2.3 6,-2.0 -5,-0.2 4,-1.5 0.923 112.9 46.4 -65.7 -44.1 19.7 47.8 -0.1 101 126 A A H X S+ 0 0 0 -4,-2.5 4,-0.6 4,-0.3 -2,-0.2 0.934 122.3 35.5 -63.5 -45.2 19.8 51.5 1.0 102 127 A L H < S+ 0 0 1 -4,-2.6 108,-0.2 -5,-0.2 -2,-0.2 0.916 126.2 33.5 -76.3 -49.3 16.1 51.6 1.9 103 128 A Q H < S+ 0 0 35 -4,-2.9 87,-2.0 -5,-0.3 88,-0.3 0.722 135.4 22.5 -86.3 -22.8 15.4 48.1 3.3 104 129 A Y H < S- 0 0 94 -4,-1.5 -3,-0.2 -5,-0.5 -2,-0.2 0.403 96.1-124.9-120.4 -2.1 18.8 47.4 5.0 105 130 A S < - 0 0 16 -4,-0.6 2,-0.3 -5,-0.4 -4,-0.3 0.807 40.5-176.8 57.9 34.0 20.1 51.0 5.5 106 131 A D > - 0 0 0 -6,-2.0 4,-1.9 1,-0.2 -25,-0.2 -0.452 16.8-160.6 -66.0 118.0 23.3 50.0 3.6 107 132 A N H > S+ 0 0 10 -27,-2.9 4,-2.1 -2,-0.3 34,-0.2 0.829 89.3 53.2 -73.1 -33.4 25.6 53.1 3.6 108 133 A T H > S+ 0 0 1 -28,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.937 109.1 50.4 -66.4 -41.9 27.7 52.0 0.7 109 134 A A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.919 108.1 53.0 -60.8 -43.5 24.5 51.5 -1.4 110 135 A M H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.928 104.8 55.9 -57.9 -42.1 23.4 55.0 -0.4 111 136 A N H X S+ 0 0 33 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.862 105.1 52.1 -60.0 -34.7 26.8 56.4 -1.6 112 137 A K H X S+ 0 0 39 -4,-1.6 4,-2.1 -3,-0.3 -1,-0.2 0.866 109.1 49.8 -69.8 -33.9 26.1 54.9 -5.0 113 138 A L H X S+ 0 0 0 -4,-1.7 4,-1.4 -3,-0.2 -2,-0.2 0.934 111.7 48.5 -65.7 -46.9 22.7 56.6 -5.2 114 139 A I H <>S+ 0 0 2 -4,-2.7 5,-2.6 1,-0.2 3,-0.4 0.929 111.1 50.3 -58.7 -44.1 24.3 59.9 -4.3 115 140 A A H ><5S+ 0 0 69 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.900 105.7 55.8 -62.5 -40.8 27.1 59.4 -6.9 116 141 A Q H 3<5S+ 0 0 53 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.840 108.6 49.6 -60.1 -29.2 24.5 58.6 -9.6 117 142 A L T 3<5S- 0 0 22 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.395 124.5-103.4 -91.9 1.1 22.9 62.0 -8.8 118 143 A G T < 5S- 0 0 71 -3,-1.7 -3,-0.2 -4,-0.2 3,-0.2 0.639 75.3 -48.7 87.1 18.7 26.2 63.9 -9.0 119 144 A G S >>> S+ 0 0 24 0, 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