==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 19-JAN-12 4DE1 . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.A.NICHOLS,Y.CHEN . 524 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21797.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 71.9 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 . 81 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 31.9 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 4 2 6 4 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 . 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 X 0 0 118 0, 0.0 2,-0.5 0, 0.0 411,-0.0 0.000 360.0 360.0 360.0 150.5 19.5 77.2 2.4 2 26 A T - 0 0 63 4,-0.0 2,-0.1 3,-0.0 0, 0.0 -0.990 360.0-152.3-116.9 120.8 18.3 74.0 0.8 3 27 A S > - 0 0 44 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.380 29.8-105.1 -82.4 169.8 20.5 70.9 1.4 4 28 A A H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.899 123.6 51.4 -59.0 -45.0 20.9 67.9 -0.9 5 29 A V H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.930 109.6 49.0 -58.7 -46.1 18.8 65.9 1.5 6 30 A Q H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.890 109.7 52.7 -63.7 -36.2 16.0 68.5 1.5 7 31 A Q H X S+ 0 0 92 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.901 109.8 48.1 -64.1 -41.2 16.1 68.6 -2.3 8 32 A K H X S+ 0 0 110 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.898 110.9 50.6 -65.8 -40.6 15.7 64.8 -2.4 9 33 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.897 109.1 52.4 -64.8 -37.2 12.8 65.0 0.0 10 34 A A H X S+ 0 0 34 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.873 109.7 48.7 -63.1 -38.9 11.2 67.7 -2.1 11 35 A A H X S+ 0 0 56 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.904 111.5 49.2 -68.5 -41.8 11.5 65.5 -5.2 12 36 A L H X S+ 0 0 29 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.944 112.3 49.1 -58.8 -46.8 10.0 62.5 -3.3 13 37 A E H >X>S+ 0 0 17 -4,-2.7 4,-1.2 1,-0.2 3,-0.8 0.924 108.8 52.3 -60.4 -47.4 7.1 64.8 -2.1 14 38 A K H ><5S+ 0 0 173 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.937 111.0 46.7 -55.4 -46.3 6.5 66.1 -5.7 15 39 A S H 3<5S+ 0 0 108 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.621 109.2 56.5 -70.4 -17.5 6.2 62.5 -7.1 16 40 A S H <<5S- 0 0 13 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.702 96.6-138.4 -84.0 -24.1 3.9 61.5 -4.2 17 41 A G T <<5S+ 0 0 55 -4,-1.2 -3,-0.1 -3,-0.7 -4,-0.1 0.349 71.4 86.8 77.5 -4.4 1.3 64.2 -4.9 18 42 A G S >> -AB 232 31A 5 5,-2.8 4,-2.1 -2,-0.5 3,-1.4 -0.884 3.4-162.5 -96.8 109.6 21.0 63.0 15.2 27 51 A T T 345S+ 0 0 27 204,-2.1 205,-0.1 -2,-0.7 -1,-0.1 0.599 80.5 81.8 -74.2 -1.1 22.2 62.6 18.7 28 52 A A T 345S- 0 0 59 202,-0.3 -1,-0.2 203,-0.3 204,-0.1 0.822 126.2 -6.8 -58.8 -35.5 25.8 62.0 17.4 29 53 A D T <45S- 0 0 88 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.2 0.278 96.5-111.8-145.6 1.6 26.1 65.8 17.2 30 54 A N T <5 + 0 0 90 -4,-2.1 -3,-0.2 1,-0.2 2,-0.1 0.554 65.9 151.5 66.2 13.4 22.5 67.1 18.0 31 55 A T E < -B 26 0A 70 -5,-0.6 -5,-2.8 -6,-0.1 2,-0.4 -0.342 32.7-145.8 -76.1 156.2 22.1 68.3 14.5 32 56 A Q E -B 25 0A 83 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.925 12.6-161.7-123.0 144.2 18.7 68.5 12.8 33 57 A V E -B 24 0A 39 -9,-1.7 -9,-2.7 -2,-0.4 2,-0.4 -0.998 21.6-174.2-124.4 128.8 17.5 67.9 9.3 34 59 A L E -B 23 0A 28 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.955 19.8-179.2-130.3 128.6 13.9 69.5 8.7 35 60 A Y E S-B 22 0A 31 -13,-2.5 -13,-2.7 -2,-0.4 -2,-0.0 -0.973 92.3 -17.6-131.2 118.4 11.6 69.3 5.7 36 61 A R S > S+ 0 0 88 -2,-0.4 3,-1.6 -15,-0.2 123,-0.1 0.885 91.9 162.7 51.6 38.9 8.4 71.4 6.3 37 62 A G T 3 + 0 0 5 1,-0.3 122,-2.5 121,-0.1 123,-0.4 0.719 66.3 41.8 -68.1 -19.5 9.6 71.0 9.9 38 63 A D T 3 S+ 0 0 103 120,-0.2 2,-0.3 119,-0.1 -1,-0.3 0.239 91.0 104.3-111.7 13.4 7.4 73.9 11.3 39 64 A E S < S- 0 0 67 -3,-1.6 2,-0.3 1,-0.0 120,-0.1 -0.679 74.4-112.7 -88.7 150.5 4.2 73.1 9.3 40 65 A R + 0 0 96 -2,-0.3 117,-0.2 117,-0.2 110,-0.2 -0.599 35.1 178.1 -85.5 140.0 1.3 71.4 11.1 41 66 A F E -E 156 0B 1 115,-2.5 115,-1.8 -2,-0.3 2,-0.3 -0.980 38.5 -99.6-133.3 150.7 0.2 67.8 10.4 42 67 A P E -E 155 0B 13 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.544 29.5-154.2 -68.8 129.9 -2.5 65.7 11.9 43 68 A M > + 0 0 0 111,-2.4 3,-1.9 -2,-0.3 112,-0.1 0.787 22.1 175.4 -72.5 -34.9 -0.8 63.3 14.4 44 69 A C G > S- 0 0 0 110,-0.5 3,-2.1 100,-0.5 -1,-0.2 -0.252 71.7 -11.3 49.4-140.4 -3.3 60.5 14.2 45 70 A S G > S+ 0 0 10 167,-0.3 3,-1.8 1,-0.3 4,-0.3 0.571 119.6 82.6 -72.5 -4.5 -2.1 57.6 16.3 46 71 A T G X S+ 0 0 0 -3,-1.9 3,-1.4 1,-0.3 4,-0.5 0.813 81.0 70.4 -63.5 -18.6 1.4 59.0 16.8 47 72 A S G <> S+ 0 0 0 -3,-2.1 4,-1.8 1,-0.3 3,-0.3 0.665 77.5 79.6 -66.6 -18.4 -0.3 60.9 19.6 48 73 A K H <> S+ 0 0 1 -3,-1.8 4,-2.6 1,-0.2 -1,-0.3 0.802 84.4 61.5 -61.5 -29.5 -0.6 57.6 21.5 49 74 A V H <> S+ 0 0 3 -3,-1.4 4,-2.5 -4,-0.3 -1,-0.2 0.923 104.0 47.0 -59.2 -46.8 3.0 58.1 22.5 50 75 A M H > S+ 0 0 2 -4,-0.5 4,-2.1 -3,-0.3 -2,-0.2 0.900 112.9 49.5 -63.2 -41.7 2.3 61.3 24.3 51 76 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.936 113.1 45.4 -64.0 -47.6 -0.8 59.8 26.1 52 77 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.924 113.2 51.0 -60.5 -41.5 1.2 56.7 27.3 53 78 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.859 105.8 55.1 -64.1 -40.2 4.1 58.9 28.4 54 79 A A H X S+ 0 0 3 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.882 109.6 47.1 -61.4 -40.4 1.7 61.1 30.4 55 80 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.920 109.2 54.1 -67.0 -39.1 0.5 58.0 32.3 56 81 A L H X S+ 0 0 1 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.917 106.9 52.3 -59.3 -41.9 4.0 56.9 32.8 57 82 A K H >< S+ 0 0 68 -4,-2.4 3,-1.3 1,-0.2 4,-0.4 0.934 108.1 50.0 -60.7 -44.2 4.7 60.3 34.3 58 83 A Q H >< S+ 0 0 59 -4,-1.9 3,-1.4 1,-0.3 4,-0.3 0.878 103.9 61.3 -57.8 -38.0 1.8 59.9 36.7 59 84 A S H >< S+ 0 0 11 -4,-2.2 3,-0.7 1,-0.3 -1,-0.3 0.683 84.6 76.9 -66.8 -17.7 3.1 56.5 37.7 60 85 A E T << S+ 0 0 68 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.804 105.3 34.8 -62.4 -27.8 6.3 58.0 39.0 61 86 A T T < S+ 0 0 128 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.2 0.363 119.4 54.2-106.0 5.2 4.4 59.1 42.1 62 87 A Q X - 0 0 93 -3,-0.7 3,-1.9 -4,-0.3 4,-0.4 -0.826 62.0-169.3-140.7 94.8 2.1 56.0 42.2 63 88 A K T 3 S+ 0 0 195 -2,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.717 89.9 43.2 -60.8 -24.7 4.0 52.7 42.2 64 89 A Q T > S+ 0 0 117 1,-0.1 3,-1.3 2,-0.1 4,-0.4 0.398 82.5 99.4-100.6 2.3 0.7 50.8 41.7 65 90 A L G X S+ 0 0 2 -3,-1.9 3,-1.9 1,-0.3 29,-0.5 0.908 79.9 54.6 -59.9 -41.2 -0.9 53.0 39.0 66 91 A L G 3 S+ 0 0 32 -4,-0.4 29,-2.5 1,-0.3 30,-0.4 0.708 108.3 51.1 -67.5 -17.9 0.2 50.8 36.1 67 92 A N G < S+ 0 0 98 -3,-1.3 -1,-0.3 27,-0.2 -2,-0.2 0.433 83.7 119.3 -94.9 3.1 -1.5 47.8 37.8 68 93 A Q < - 0 0 80 -3,-1.9 26,-1.2 -4,-0.4 2,-0.1 -0.459 64.0-125.4 -72.1 131.5 -4.8 49.8 38.3 69 94 A P E -F 93 0C 82 0, 0.0 2,-0.4 0, 0.0 24,-0.2 -0.454 20.0-164.5 -78.8 148.3 -7.8 48.2 36.6 70 95 A V E -F 92 0C 28 22,-2.0 22,-2.1 -2,-0.1 2,-0.2 -0.999 23.8-121.2-129.7 127.8 -10.0 50.0 34.2 71 96 A E E -F 91 0C 120 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.527 18.2-155.4 -70.2 135.0 -13.4 48.6 33.3 72 97 A I E -F 90 0C 0 18,-2.4 17,-3.1 15,-0.4 18,-0.5 -0.965 16.7-173.1-108.2 113.0 -13.9 48.0 29.6 73 98 A K >> - 0 0 83 -2,-0.6 3,-2.3 15,-0.2 4,-0.5 -0.800 38.5-109.1 -98.5 167.7 -17.7 48.0 28.8 74 99 A P G >4 S+ 0 0 75 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.852 119.1 57.9 -60.2 -37.6 -19.3 47.2 25.5 75 100 A A G 34 S+ 0 0 94 1,-0.3 -3,-0.0 -3,-0.0 0, 0.0 0.659 95.6 66.8 -66.2 -15.9 -20.1 50.9 24.9 76 101 A D G <4 S+ 0 0 46 -3,-2.3 -1,-0.3 8,-0.1 2,-0.1 0.665 75.1 103.8 -80.3 -19.2 -16.4 51.7 25.1 77 102 A L << + 0 0 53 -3,-1.4 2,-0.1 -4,-0.5 4,-0.0 -0.462 46.9 173.0 -66.5 137.0 -15.5 49.8 21.9 78 103 A V - 0 0 50 -2,-0.1 3,-0.2 2,-0.0 -1,-0.1 0.050 51.5 -53.1-114.3-131.3 -14.8 52.1 19.0 79 104 A N S S+ 0 0 102 1,-0.3 2,-0.3 -2,-0.1 -2,-0.1 0.543 121.3 25.3 -97.6 -13.0 -13.5 51.3 15.5 80 105 A Y + 0 0 125 1,-0.0 27,-2.8 0, 0.0 28,-0.6 -0.782 64.3 142.7-156.0 99.9 -10.3 49.4 16.1 81 106 A N > + 0 0 13 -2,-0.3 4,-2.2 25,-0.2 5,-0.2 -0.377 4.1 158.2-143.8 55.4 -9.9 47.6 19.3 82 107 A P T 4 S+ 0 0 35 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.805 85.4 29.9 -59.7 -28.3 -8.1 44.3 18.7 83 108 A I T >4 S+ 0 0 27 2,-0.1 3,-1.4 -3,-0.1 4,-0.4 0.881 117.1 52.9 -95.3 -49.1 -7.0 44.0 22.4 84 109 A A G >4 S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.832 98.8 64.8 -59.4 -33.5 -9.8 45.8 24.3 85 110 A E G >< S+ 0 0 105 -4,-2.2 3,-0.7 1,-0.3 -1,-0.3 0.802 95.4 60.1 -65.5 -22.5 -12.5 43.7 22.7 86 111 A K G < S+ 0 0 148 -3,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.685 109.1 43.6 -69.2 -17.2 -11.1 40.6 24.4 87 112 A H G X S+ 0 0 53 -3,-1.9 3,-2.3 -4,-0.4 -15,-0.4 0.209 75.6 139.4-117.9 10.9 -11.6 42.3 27.8 88 113 A V T < S+ 0 0 46 -3,-0.7 -15,-0.2 -4,-0.3 3,-0.1 -0.376 77.1 21.1 -64.3 136.0 -15.1 43.8 27.4 89 114 A N T 3 S+ 0 0 115 -17,-3.1 -1,-0.3 1,-0.4 2,-0.1 0.461 126.4 64.6 73.7 10.2 -17.1 43.3 30.6 90 115 A G E < S-F 72 0C 30 -3,-2.3 -18,-2.4 -18,-0.5 -1,-0.4 -0.364 86.2 -95.8-131.4-150.4 -13.8 42.9 32.4 91 116 A T E -F 71 0C 69 -20,-0.2 2,-0.3 -2,-0.1 -20,-0.2 -0.930 15.6-159.3-135.8 159.1 -10.8 45.1 33.1 92 117 A M E -F 70 0C 1 -22,-2.1 -22,-2.0 -2,-0.3 2,-0.1 -0.984 26.8-121.2-130.6 147.2 -7.4 46.0 31.8 93 118 A T E > -F 69 0C 30 -2,-0.3 4,-2.6 -24,-0.2 5,-0.2 -0.392 29.1-108.7 -79.6 163.8 -4.6 47.6 33.7 94 119 A L H > S+ 0 0 0 -26,-1.2 4,-2.4 -29,-0.5 -28,-0.2 0.863 122.7 53.7 -61.8 -31.8 -3.1 50.9 32.7 95 120 A A H > S+ 0 0 25 -29,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.940 109.6 47.3 -62.4 -47.8 0.0 49.0 31.7 96 121 A E H > S+ 0 0 86 -30,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.883 112.5 49.3 -60.9 -39.6 -2.0 46.7 29.5 97 122 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.904 111.6 49.2 -67.5 -39.0 -3.8 49.7 28.0 98 123 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.924 112.6 46.9 -63.5 -47.2 -0.5 51.5 27.3 99 124 A A H X>S+ 0 0 23 -4,-2.7 4,-3.0 2,-0.2 5,-0.5 0.910 114.1 48.1 -61.1 -43.0 0.9 48.4 25.7 100 125 A A H X>S+ 0 0 4 -4,-2.4 6,-1.8 -5,-0.2 4,-1.7 0.938 113.3 46.7 -65.4 -43.2 -2.2 47.8 23.6 101 126 A A H X5S+ 0 0 0 -4,-2.6 4,-0.5 4,-0.3 -2,-0.2 0.929 121.8 36.7 -62.4 -46.1 -2.3 51.5 22.5 102 127 A L H <5S+ 0 0 1 -4,-2.6 108,-0.2 -5,-0.2 -2,-0.2 0.917 126.4 31.8 -76.3 -45.5 1.4 51.6 21.6 103 128 A Q H <5S+ 0 0 37 -4,-3.0 87,-2.1 -5,-0.3 88,-0.3 0.757 135.1 23.8 -92.6 -23.8 2.1 48.1 20.1 104 129 A Y H < - 0 0 0 -6,-1.8 4,-1.9 1,-0.1 -25,-0.2 -0.509 18.9-159.0 -70.8 124.0 -5.8 50.0 19.9 107 132 A N H > S+ 0 0 8 -27,-2.8 4,-2.1 -2,-0.4 34,-0.3 0.806 90.2 53.8 -78.7 -30.8 -8.2 53.0 19.9 108 133 A T H > S+ 0 0 0 -28,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.927 108.6 51.2 -65.8 -42.8 -10.2 51.9 22.9 109 134 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.934 108.8 51.2 -59.4 -46.9 -7.0 51.6 24.9 110 135 A M H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.923 106.3 54.4 -55.8 -45.5 -6.0 55.1 23.8 111 136 A N H X S+ 0 0 33 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.867 106.3 52.0 -59.9 -34.8 -9.4 56.5 25.0 112 137 A K H X S+ 0 0 40 -4,-1.8 4,-2.2 -3,-0.2 -1,-0.2 0.883 109.3 50.1 -67.9 -36.0 -8.8 54.9 28.4 113 138 A L H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.939 111.2 48.7 -62.5 -48.1 -5.4 56.7 28.6 114 139 A I H ><>S+ 0 0 2 -4,-2.7 5,-2.7 1,-0.2 3,-0.6 0.916 111.3 50.0 -57.7 -43.9 -7.0 60.0 27.6 115 140 A A H ><5S+ 0 0 69 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.896 105.1 56.8 -65.0 -37.1 -9.7 59.5 30.3 116 141 A Q H 3<5S+ 0 0 54 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.792 108.1 49.1 -61.1 -29.8 -7.1 58.7 32.9 117 142 A L T <<5S- 0 0 23 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.345 125.3-101.8 -92.8 2.8 -5.5 62.1 32.1 118 143 A G T < 5S- 0 0 72 -3,-1.6 -3,-0.2 -4,-0.2 3,-0.2 0.616 76.6 -48.5 89.3 14.3 -8.8 64.0 32.3 119 144 A G S >>> S+ 0 0 25 0, 0.0 4,-1.8 0, 0.0 3,-1.2 0.868 130.7 60.8 -53.7 -40.7 -7.5 65.4 25.5 121 146 A G H 3> S+ 0 0 48 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.726 95.1 62.3 -60.3 -24.8 -6.4 68.6 27.3 122 147 A G H <> S+ 0 0 20 -3,-1.8 4,-1.5 2,-0.2 -1,-0.3 0.810 103.5 49.1 -67.1 -32.1 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