==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTIC 17-DEC-10 3Q1F . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.LEYSSNE,J.DELMAS,A.COIGNOUX,F.ROBIN,R.BONNET . 526 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 71.7 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 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 5 5 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 27 A T 0 0 92 0, 0.0 412,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 111.1 -0.7 2.4 22.5 2 28 A S > - 0 0 51 1,-0.1 4,-2.5 409,-0.0 5,-0.2 -0.246 360.0-105.1 -78.1 170.2 -2.9 -0.6 21.8 3 29 A A H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.930 123.9 48.4 -61.6 -43.3 -3.4 -3.7 24.0 4 30 A V H > S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.927 110.9 49.6 -63.8 -44.9 -1.2 -5.7 21.6 5 31 A Q H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.892 110.6 51.0 -61.3 -38.5 1.5 -3.0 21.5 6 32 A Q H X S+ 0 0 100 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.897 109.3 50.6 -67.6 -36.2 1.4 -2.9 25.3 7 33 A K H X S+ 0 0 111 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.915 110.3 49.7 -66.7 -39.5 1.9 -6.7 25.5 8 34 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.879 109.3 51.8 -67.5 -35.6 4.8 -6.5 23.1 9 35 A A H X S+ 0 0 33 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.899 109.6 50.0 -66.4 -38.2 6.4 -3.7 25.2 10 36 A A H X S+ 0 0 61 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.902 110.8 49.1 -66.9 -38.8 6.0 -5.9 28.3 11 37 A L H X S+ 0 0 23 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.944 111.8 49.1 -63.4 -46.8 7.6 -8.9 26.5 12 38 A E H >X>S+ 0 0 17 -4,-2.6 4,-1.6 1,-0.2 3,-1.0 0.919 106.4 57.0 -58.1 -44.8 10.4 -6.6 25.4 13 39 A K H 3<5S+ 0 0 179 -4,-2.6 -1,-0.2 1,-0.3 3,-0.2 0.892 110.0 43.5 -55.7 -42.0 10.9 -5.3 28.9 14 40 A S H 3<5S+ 0 0 101 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.559 109.2 59.3 -83.6 -4.2 11.5 -8.8 30.3 15 41 A S H <<5S- 0 0 14 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.752 92.0-143.5 -89.7 -31.2 13.7 -9.7 27.4 16 42 A G T <5S+ 0 0 57 -4,-1.6 2,-0.1 1,-0.3 -3,-0.1 0.425 70.1 92.5 79.7 -1.9 16.2 -7.0 28.1 17 43 A G S >> -AB 231 30A 11 5,-2.6 4,-2.0 -2,-0.5 3,-1.3 -0.903 2.7-161.3 -99.8 108.9 -3.4 -8.5 8.1 26 52 A T T 345S+ 0 0 27 204,-2.1 205,-0.1 -2,-0.7 -1,-0.1 0.539 81.2 80.5 -72.2 -2.2 -4.5 -8.9 4.5 27 53 A A T 345S- 0 0 58 202,-0.3 -1,-0.2 203,-0.2 204,-0.1 0.836 125.5 -4.5 -65.8 -33.5 -8.1 -9.4 5.8 28 54 A D T <45S- 0 0 89 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.1 0.300 95.4-114.2-141.9 3.2 -8.3 -5.6 6.1 29 55 A N T <5 + 0 0 89 -4,-2.0 -3,-0.2 1,-0.2 2,-0.1 0.602 66.0 148.8 66.8 13.2 -4.8 -4.3 5.2 30 56 A T E < -B 25 0A 70 -5,-0.7 -5,-2.6 -6,-0.1 2,-0.4 -0.361 33.9-145.6 -76.5 158.2 -4.4 -3.1 8.8 31 57 A Q E -B 24 0A 79 -7,-0.2 2,-0.5 -3,-0.1 -7,-0.2 -0.952 13.1-160.3-128.3 145.8 -1.0 -3.0 10.5 32 58 A V E -B 23 0A 34 -9,-1.6 -9,-2.6 -2,-0.4 2,-0.4 -0.997 23.3-175.6-121.6 123.0 0.2 -3.6 14.0 33 59 A L E -B 22 0A 28 -2,-0.5 2,-0.4 -11,-0.2 -11,-0.2 -0.944 21.0-178.7-123.8 145.9 3.7 -2.1 14.6 34 60 A Y E S-B 21 0A 33 -13,-2.6 -13,-2.8 -2,-0.4 4,-0.1 -0.963 91.5 -16.0-140.7 114.6 6.1 -2.1 17.5 35 61 A R S > S+ 0 0 88 -2,-0.4 3,-1.6 -15,-0.2 123,-0.1 0.870 91.1 162.3 52.2 37.8 9.2 -0.0 16.9 36 62 A G T 3 + 0 0 5 1,-0.3 122,-2.4 121,-0.1 123,-0.4 0.717 66.7 41.9 -60.5 -26.2 8.0 -0.3 13.3 37 63 A D T 3 S+ 0 0 100 120,-0.1 2,-0.3 119,-0.1 -1,-0.3 0.250 91.5 103.5-109.1 12.6 10.2 2.5 12.0 38 64 A E S < S- 0 0 68 -3,-1.6 2,-0.2 -4,-0.1 120,-0.1 -0.697 74.1-112.6 -91.4 149.4 13.4 1.6 13.9 39 65 A R + 0 0 94 -2,-0.3 117,-0.2 117,-0.2 110,-0.2 -0.557 34.5 178.8 -83.5 141.5 16.3 -0.0 12.1 40 66 A F E -E 155 0B 1 115,-2.4 115,-1.8 -2,-0.2 2,-0.3 -0.983 38.0-100.8-135.8 148.5 17.4 -3.6 12.9 41 67 A P E -E 154 0B 11 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.555 29.8-154.5 -69.5 129.6 20.2 -5.7 11.4 42 68 A M > + 0 0 0 111,-2.4 3,-1.9 -2,-0.3 112,-0.1 0.807 22.4 172.5 -75.0 -34.0 18.5 -8.1 8.9 43 69 A C G > S- 0 0 0 110,-0.5 3,-2.0 100,-0.5 4,-0.2 -0.252 73.7 -7.0 49.7-138.3 21.0 -10.9 9.0 44 70 A G G > S+ 0 0 0 1,-0.3 3,-1.9 167,-0.2 4,-0.3 0.601 120.4 79.5 -61.5 -14.4 19.7 -13.9 7.0 45 71 A T G X> S+ 0 0 0 -3,-1.9 3,-1.2 1,-0.3 4,-0.5 0.792 82.2 70.0 -65.0 -18.3 16.2 -12.3 6.5 46 72 A S H <> S+ 0 0 0 -3,-2.0 4,-1.7 1,-0.2 3,-0.4 0.686 78.2 79.6 -67.8 -18.4 18.0 -10.4 3.7 47 73 A K H <> S+ 0 0 0 -3,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.820 83.8 61.4 -61.9 -28.5 18.2 -13.6 1.8 48 74 A V H <> S+ 0 0 3 -3,-1.2 4,-2.6 -4,-0.3 -1,-0.2 0.923 103.6 48.6 -63.3 -42.4 14.6 -13.2 0.7 49 75 A M H X S+ 0 0 2 -4,-0.5 4,-2.1 -3,-0.4 -2,-0.2 0.921 112.8 47.7 -65.2 -41.0 15.4 -10.0 -1.1 50 76 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.937 113.6 46.0 -65.1 -46.2 18.3 -11.5 -2.9 51 77 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.927 113.1 50.9 -63.6 -40.5 16.4 -14.6 -4.0 52 78 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.873 106.8 54.4 -63.9 -36.9 13.5 -12.4 -5.1 53 79 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.907 109.7 46.9 -64.0 -40.7 15.8 -10.2 -7.1 54 80 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.910 109.8 53.6 -68.2 -38.5 17.1 -13.3 -9.0 55 81 A L H X S+ 0 0 1 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.918 107.9 51.4 -60.7 -41.1 13.6 -14.5 -9.5 56 82 A K H >< S+ 0 0 34 -4,-2.5 3,-1.4 1,-0.2 4,-0.5 0.940 108.7 50.1 -62.6 -43.3 12.8 -11.1 -11.1 57 83 A Q H >X S+ 0 0 20 -4,-2.2 4,-2.4 1,-0.3 3,-1.5 0.877 103.6 61.1 -60.4 -38.4 15.8 -11.4 -13.4 58 84 A S H 3< S+ 0 0 10 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.651 87.4 73.5 -65.9 -14.1 14.6 -14.9 -14.4 59 85 A E T << S+ 0 0 43 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.803 116.7 18.2 -67.4 -29.4 11.4 -13.4 -15.7 60 86 A T T <4 S+ 0 0 121 -3,-1.5 2,-1.0 -4,-0.5 -2,-0.2 0.593 120.9 59.2-115.5 -25.7 13.4 -12.0 -18.7 61 87 A Q S >< S- 0 0 95 -4,-2.4 3,-1.8 1,-0.1 4,-0.3 -0.856 80.9-167.4-102.1 82.0 16.6 -14.1 -18.7 62 88 A K T 3 S+ 0 0 157 -2,-1.0 3,-0.2 1,-0.3 -1,-0.1 0.663 74.5 39.1 -48.6 -35.8 14.5 -17.2 -19.1 63 89 A Q T > S+ 0 0 132 1,-0.2 3,-1.4 2,-0.1 4,-0.5 0.228 81.9 111.4-102.5 13.3 17.1 -20.0 -18.4 64 90 A L G X S+ 0 0 0 -3,-1.8 3,-1.6 1,-0.3 29,-0.6 0.873 71.0 56.8 -54.3 -44.5 18.8 -18.1 -15.6 65 91 A L G 3 S+ 0 0 33 -4,-0.3 29,-2.2 1,-0.3 30,-0.4 0.705 108.4 49.0 -65.7 -16.0 17.6 -20.4 -12.8 66 92 A N G < S+ 0 0 99 -3,-1.4 -1,-0.3 26,-0.2 -2,-0.2 0.440 83.2 120.1 -99.9 -1.6 19.2 -23.3 -14.7 67 93 A Q < - 0 0 70 -3,-1.6 26,-1.0 -4,-0.5 2,-0.2 -0.468 65.3-126.1 -66.0 124.0 22.5 -21.5 -15.1 68 94 A P E -F 92 0C 83 0, 0.0 2,-0.5 0, 0.0 24,-0.2 -0.521 21.7-161.6 -75.4 139.2 25.4 -23.4 -13.5 69 95 A V E -F 91 0C 27 22,-2.4 22,-1.9 -2,-0.2 2,-0.2 -0.984 20.3-120.7-122.7 127.0 27.5 -21.4 -11.0 70 96 A E E -F 90 0C 121 -2,-0.5 2,-0.6 20,-0.2 20,-0.2 -0.481 19.1-156.4 -68.8 134.0 31.0 -22.7 -10.1 71 97 A I E -F 89 0C 0 18,-2.4 17,-3.1 15,-0.4 18,-0.6 -0.957 15.7-174.0-111.6 115.0 31.6 -23.4 -6.4 72 98 A K >> - 0 0 82 -2,-0.6 3,-2.2 15,-0.2 4,-0.6 -0.746 38.7-110.9-106.3 156.7 35.3 -23.2 -5.4 73 99 A P G >4 S+ 0 0 75 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.870 119.1 58.4 -52.1 -36.8 36.9 -24.0 -2.1 74 100 A A G 34 S+ 0 0 94 1,-0.3 -3,-0.0 -3,-0.0 0, 0.0 0.659 95.2 65.6 -67.6 -18.1 37.6 -20.3 -1.6 75 101 A D G <4 S+ 0 0 47 -3,-2.2 -1,-0.3 8,-0.1 2,-0.1 0.659 77.4 104.5 -75.7 -23.4 33.9 -19.5 -1.9 76 102 A L << + 0 0 55 -3,-1.3 2,-0.1 -4,-0.6 4,-0.1 -0.431 46.5 173.2 -65.3 137.0 33.1 -21.3 1.3 77 103 A V - 0 0 49 -2,-0.1 3,-0.2 2,-0.0 -1,-0.1 -0.003 51.4 -52.7-115.9-135.4 32.4 -19.1 4.3 78 104 A N S S+ 0 0 74 1,-0.3 2,-0.3 -2,-0.1 -2,-0.1 0.713 122.1 21.0 -84.1 -26.8 31.1 -19.9 7.9 79 105 A Y + 0 0 84 25,-0.0 27,-2.8 1,-0.0 28,-0.6 -0.882 64.8 142.2-148.8 107.6 28.0 -21.9 7.2 80 106 A N > + 0 0 10 -2,-0.3 4,-2.2 25,-0.2 5,-0.2 -0.371 5.7 161.2-148.4 62.2 27.5 -23.7 3.9 81 107 A P T 4 S+ 0 0 29 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.834 84.3 32.4 -58.9 -34.4 25.8 -27.0 4.4 82 108 A I T >4 S+ 0 0 28 2,-0.1 3,-1.2 1,-0.1 4,-0.4 0.915 116.4 52.4 -89.7 -47.6 24.7 -27.3 0.8 83 109 A A G >4 S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.824 100.2 62.9 -59.1 -35.3 27.5 -25.5 -1.1 84 110 A E G >< S+ 0 0 110 -4,-2.2 3,-0.9 1,-0.3 -1,-0.3 0.817 95.8 60.6 -64.8 -24.1 30.2 -27.5 0.5 85 111 A K G < S+ 0 0 147 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.685 109.8 43.4 -68.6 -21.7 28.7 -30.7 -1.1 86 112 A H G X S+ 0 0 57 -3,-1.6 3,-2.2 -4,-0.4 -15,-0.4 0.238 75.6 141.1-113.6 13.5 29.4 -29.0 -4.5 87 113 A V T < S+ 0 0 36 -3,-0.9 -15,-0.2 1,-0.3 3,-0.1 -0.308 78.2 19.1 -57.8 137.6 32.8 -27.5 -4.1 88 114 A N T 3 S+ 0 0 116 -17,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.546 125.9 68.2 72.1 11.1 34.8 -28.0 -7.4 89 115 A G E < S-F 71 0C 30 -3,-2.2 -18,-2.4 -18,-0.6 -1,-0.3 -0.400 84.9 -96.2-131.7-153.0 31.5 -28.5 -9.1 90 116 A T E -F 70 0C 69 -20,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.935 17.5-164.4-136.4 160.3 28.4 -26.3 -9.8 91 117 A M E -F 69 0C 0 -22,-1.9 -22,-2.4 -2,-0.3 2,-0.1 -0.980 26.9-121.3-136.6 147.8 25.0 -25.4 -8.5 92 118 A T E > -F 68 0C 29 -2,-0.3 4,-2.6 -24,-0.2 5,-0.2 -0.428 29.2-108.4 -83.1 165.3 22.3 -23.6 -10.5 93 119 A L H > S+ 0 0 1 -26,-1.0 4,-2.4 -29,-0.6 -28,-0.2 0.837 122.9 54.5 -64.0 -27.3 20.8 -20.3 -9.4 94 120 A A H > S+ 0 0 25 -29,-2.2 4,-2.8 2,-0.2 5,-0.2 0.943 109.8 46.5 -68.2 -43.8 17.6 -22.2 -8.4 95 121 A E H > S+ 0 0 86 -30,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.885 113.5 49.3 -61.9 -39.6 19.7 -24.6 -6.3 96 122 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.904 111.0 49.5 -68.1 -39.5 21.5 -21.6 -4.8 97 123 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.943 112.9 46.5 -63.1 -47.5 18.2 -19.8 -4.0 98 124 A A H X>S+ 0 0 21 -4,-2.8 4,-2.9 1,-0.2 5,-0.5 0.908 114.1 48.3 -62.4 -42.2 16.7 -22.9 -2.4 99 125 A A H X5S+ 0 0 4 -4,-2.3 6,-2.0 -5,-0.2 4,-1.6 0.929 112.9 47.5 -65.0 -44.1 19.9 -23.5 -0.3 100 126 A A H X5S+ 0 0 0 -4,-2.6 4,-0.5 4,-0.3 -2,-0.2 0.930 121.7 35.5 -61.8 -44.7 20.0 -19.8 0.8 101 127 A L H <5S+ 0 0 1 -4,-2.6 108,-0.2 -5,-0.2 -2,-0.2 0.923 126.0 33.7 -78.2 -48.6 16.3 -19.7 1.8 102 128 A Q H <5S+ 0 0 35 -4,-2.9 87,-2.0 -5,-0.3 88,-0.3 0.749 135.3 22.3 -86.4 -22.7 15.6 -23.2 3.1 103 129 A Y H < - 0 0 0 -6,-2.0 4,-1.7 1,-0.2 -25,-0.2 -0.457 16.1-159.4 -66.3 121.9 23.5 -21.4 3.3 106 132 A N H > S+ 0 0 0 -27,-2.8 4,-2.0 -2,-0.3 34,-0.3 0.815 89.6 52.7 -77.4 -31.9 25.8 -18.3 3.4 107 133 A T H > S+ 0 0 0 -28,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.917 108.6 52.7 -67.2 -41.8 27.9 -19.3 0.3 108 134 A A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.940 107.7 51.3 -57.8 -46.2 24.6 -19.7 -1.6 109 135 A M H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.924 106.6 54.3 -56.7 -44.4 23.6 -16.2 -0.6 110 136 A N H X S+ 0 0 32 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.872 105.9 52.5 -60.7 -33.4 27.0 -14.8 -1.8 111 137 A K H X S+ 0 0 39 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.882 109.3 49.2 -69.6 -34.1 26.4 -16.3 -5.2 112 138 A L H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.937 112.4 48.3 -66.3 -47.2 22.9 -14.6 -5.3 113 139 A I H <>S+ 0 0 2 -4,-2.8 5,-2.6 1,-0.2 3,-0.3 0.927 111.2 50.0 -58.3 -46.1 24.6 -11.3 -4.4 114 140 A A H ><5S+ 0 0 68 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.904 106.3 55.4 -61.0 -41.2 27.3 -11.8 -7.0 115 141 A Q H 3<5S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.862 108.2 50.3 -59.1 -32.5 24.7 -12.5 -9.7 116 142 A L T 3<5S- 0 0 11 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.428 124.7-102.5 -87.4 0.9 23.1 -9.2 -8.8 117 143 A G T < 5S- 0 0 74 -3,-1.6 -3,-0.2 -4,-0.3 3,-0.2 0.604 77.0 -47.5 88.3 15.6 26.5 -7.3 -9.0 118 144 A G S >>> S+ 0 0 25 0, 0.0 4,-1.8 0, 0.0 3,-1.2 0.882 130.7 61.7 -54.0 -37.1 25.1 -6.0 -2.3 120 146 A G H 3> S+ 0 0 49 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.756 94.9 62.7 -59.7 -26.1 24.0 -2.7 -4.0 121 147 A G H <> S+ 0 0 11 -3,-1.8 4,-1.4 2,-0.2 -1,-0.3 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