==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-JAN-05 1YLJ . COMPND 2 MOLECULE: BETA-LACTAMASE CTX-M-9A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.CHEN,J.DELMAS,J.SIROT,B.SHOICHET,R.BONNET . 263 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10763.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 70.7 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 . 41 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 2 1 4 1 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 1 0 1 1 0 1 1 1 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 . 2 0 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 25 A Q 0 0 236 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.6 30.0 34.4 22.3 2 26 A T - 0 0 68 4,-0.0 2,-0.2 3,-0.0 0, 0.0 -0.920 360.0-137.2-124.0 153.8 31.6 37.4 23.7 3 27 A S > - 0 0 50 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.484 41.7-100.3 -90.8 168.1 34.7 38.4 25.5 4 28 A A H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.838 125.2 58.3 -62.1 -29.7 34.6 40.8 28.5 5 29 A V H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.960 109.2 43.3 -60.2 -52.1 35.8 43.5 26.0 6 30 A Q H > S+ 0 0 46 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.866 111.2 54.8 -62.4 -36.8 32.8 42.9 23.8 7 31 A Q H X S+ 0 0 104 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.920 108.5 48.6 -65.4 -40.5 30.5 42.7 26.8 8 32 A K H X S+ 0 0 92 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.896 112.1 48.7 -63.8 -40.9 31.7 46.1 28.0 9 33 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.915 110.7 51.0 -66.1 -39.3 31.2 47.6 24.6 10 34 A A H X S+ 0 0 30 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.881 110.2 49.8 -64.0 -40.3 27.7 46.1 24.4 11 35 A A H X S+ 0 0 59 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.907 110.1 49.8 -66.7 -40.4 26.8 47.5 27.7 12 36 A L H X S+ 0 0 22 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.935 111.9 49.3 -57.7 -48.0 28.1 51.0 26.6 13 37 A E H X>S+ 0 0 15 -4,-2.7 4,-1.2 1,-0.2 5,-0.7 0.931 110.0 50.6 -56.8 -50.2 26.0 50.7 23.5 14 38 A K H ><5S+ 0 0 185 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.940 111.8 47.4 -56.9 -47.4 22.9 49.7 25.5 15 39 A S H 3<5S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.854 110.1 53.1 -64.4 -31.9 23.3 52.6 27.8 16 40 A S H 3<5S- 0 0 10 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.671 100.6-133.4 -76.4 -19.9 23.8 55.0 24.9 17 41 A G T <<5S+ 0 0 49 -4,-1.2 -3,-0.1 -3,-0.8 -4,-0.1 0.401 72.7 87.7 81.9 -3.2 20.7 54.0 23.1 18 42 A G S >> -AB 232 31A 10 5,-2.7 4,-1.6 -2,-0.5 3,-1.1 -0.911 2.6-161.7 -98.2 109.2 46.9 45.0 17.6 27 51 A T T 345S+ 0 0 30 204,-1.9 205,-0.1 -2,-0.7 -1,-0.1 0.599 79.0 78.1 -76.1 -5.0 49.9 44.9 15.4 28 52 A A T 345S- 0 0 63 203,-0.3 -1,-0.2 202,-0.2 204,-0.1 0.918 125.6 -0.1 -60.5 -40.7 52.0 43.0 17.9 29 53 A D T <45S- 0 0 99 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.285 97.9-117.6-133.0 7.3 50.2 39.8 16.9 30 54 A N T <5 + 0 0 106 -4,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.721 61.2 151.6 52.0 35.4 47.8 41.1 14.2 31 55 A T E < -B 26 0A 67 -5,-1.0 -5,-2.7 2,-0.0 2,-0.4 -0.630 33.5-144.9 -84.7 155.1 44.8 40.1 16.2 32 56 A Q E -B 25 0A 65 -2,-0.2 2,-0.5 -7,-0.2 -7,-0.2 -0.945 10.2-161.2-116.4 142.6 41.5 41.9 15.9 33 57 A V E -B 24 0A 39 -9,-2.0 -9,-2.7 -2,-0.4 2,-0.3 -0.995 24.2-174.6-117.6 124.9 38.8 42.7 18.5 34 59 A L E -B 23 0A 31 -2,-0.5 2,-0.4 -11,-0.2 -11,-0.2 -0.908 24.8-174.9-121.6 147.3 35.5 43.5 16.9 35 60 A Y E S-B 22 0A 29 -13,-2.6 -13,-2.6 -2,-0.3 4,-0.1 -0.960 93.6 -19.9-136.3 115.4 32.1 44.8 18.1 36 61 A R S > S+ 0 0 91 -2,-0.4 3,-1.6 -15,-0.2 123,-0.1 0.882 93.0 161.8 50.9 40.7 29.6 44.9 15.2 37 62 A G T 3 + 0 0 6 1,-0.3 122,-2.6 121,-0.1 123,-0.4 0.696 65.4 43.0 -72.5 -18.3 32.8 44.9 13.2 38 63 A D T 3 S+ 0 0 96 120,-0.2 2,-0.3 119,-0.1 -1,-0.3 0.196 91.3 103.7-109.6 11.3 31.2 43.8 9.9 39 64 A E S < S- 0 0 65 -3,-1.6 2,-0.3 -4,-0.1 120,-0.1 -0.698 74.4-114.4 -88.7 145.8 28.1 46.0 10.2 40 65 A R + 0 0 92 -2,-0.3 117,-0.2 117,-0.2 110,-0.2 -0.592 34.1 179.8 -79.6 143.3 28.0 49.2 8.0 41 66 A F E -E 156 0B 1 115,-2.7 115,-1.8 -2,-0.3 2,-0.3 -0.974 37.9 -97.0-135.6 151.5 28.0 52.6 9.5 42 67 A P E -E 155 0B 12 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.525 30.8-155.1 -68.7 127.0 27.9 56.1 8.0 43 68 A M > + 0 0 0 111,-2.5 3,-2.1 -2,-0.3 112,-0.1 0.786 20.8 175.2 -72.2 -34.0 31.5 57.4 7.8 44 69 A C G > S- 0 0 0 110,-0.5 3,-2.1 100,-0.5 -1,-0.1 -0.226 73.5 -9.5 49.8-139.1 30.8 61.1 7.8 45 70 A S G > S+ 0 0 5 167,-0.3 3,-2.0 1,-0.3 4,-0.3 0.577 119.5 83.2 -69.2 -5.2 34.1 63.0 7.9 46 71 A T G X S+ 0 0 0 -3,-2.1 3,-1.5 1,-0.3 4,-0.5 0.775 79.3 70.3 -63.3 -22.7 36.2 59.9 8.5 47 72 A S G <> S+ 0 0 0 -3,-2.1 4,-1.8 1,-0.3 3,-0.3 0.650 77.2 79.6 -63.7 -17.5 36.0 59.5 4.8 48 73 A K H <> S+ 0 0 0 -3,-2.0 4,-2.7 1,-0.2 -1,-0.3 0.798 84.9 61.6 -62.7 -26.3 38.3 62.5 4.5 49 74 A V H <> S+ 0 0 3 -3,-1.5 4,-2.6 -4,-0.3 -1,-0.2 0.925 104.1 46.8 -63.0 -44.9 41.2 60.1 5.3 50 75 A M H > S+ 0 0 2 -4,-0.5 4,-2.1 -3,-0.3 -1,-0.2 0.895 113.3 49.1 -63.2 -42.2 40.5 58.0 2.2 51 76 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.929 113.2 45.4 -64.8 -46.2 40.3 61.1 0.1 52 77 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.922 113.4 50.7 -61.0 -42.7 43.5 62.6 1.4 53 78 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.884 106.4 55.4 -61.7 -37.8 45.3 59.3 1.0 54 79 A A H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.884 109.1 46.8 -64.1 -41.0 44.0 59.0 -2.6 55 80 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.900 109.9 53.6 -66.8 -41.4 45.6 62.3 -3.4 56 81 A L H X S+ 0 0 0 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.932 107.4 51.8 -56.7 -42.9 48.8 61.3 -1.7 57 82 A K H >< S+ 0 0 67 -4,-2.6 3,-1.3 1,-0.2 4,-0.5 0.941 108.0 51.0 -58.8 -44.6 48.8 58.2 -3.9 58 83 A Q H >< S+ 0 0 64 -4,-2.0 3,-1.4 1,-0.3 4,-0.4 0.897 104.7 58.8 -56.7 -40.1 48.4 60.4 -7.0 59 84 A S H 3< S+ 0 0 4 -4,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.669 86.2 77.5 -69.6 -15.6 51.4 62.5 -5.8 60 85 A E T << S+ 0 0 49 -3,-1.3 -1,-0.3 -4,-0.8 3,-0.2 0.810 107.4 31.5 -63.8 -27.7 53.7 59.4 -5.8 61 86 A T S < S+ 0 0 134 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 0.334 125.1 46.5-112.9 11.4 53.9 59.8 -9.5 62 87 A Q S > S- 0 0 103 -3,-0.4 3,-2.1 -4,-0.4 4,-0.4 -0.730 71.8-170.5-141.5 81.3 53.5 63.6 -9.6 63 88 A K T 3 S+ 0 0 180 1,-0.3 3,-0.2 -2,-0.3 4,-0.1 0.658 83.5 45.4 -56.7 -24.1 55.9 64.9 -6.9 64 89 A Q T > S+ 0 0 134 1,-0.1 3,-1.3 2,-0.1 4,-0.4 0.388 82.3 101.8 -94.6 6.9 54.8 68.5 -7.0 65 90 A L G X S+ 0 0 2 -3,-2.1 3,-1.7 1,-0.3 29,-0.5 0.897 78.5 55.6 -56.1 -41.1 51.0 67.6 -7.0 66 91 A L G 3 S+ 0 0 23 -4,-0.4 29,-2.9 1,-0.3 30,-0.4 0.828 106.5 50.9 -63.8 -25.4 50.7 68.4 -3.3 67 92 A N G < S+ 0 0 90 -3,-1.3 -1,-0.3 27,-0.2 -2,-0.2 0.426 80.9 120.4 -93.3 6.5 52.1 71.9 -3.9 68 93 A Q < - 0 0 79 -3,-1.7 26,-1.1 -4,-0.4 2,-0.2 -0.540 64.2-128.5 -69.8 118.5 49.6 72.7 -6.7 69 94 A P E -F 93 0C 81 0, 0.0 2,-0.4 0, 0.0 24,-0.3 -0.501 21.1-161.3 -69.5 139.5 47.5 75.7 -5.9 70 95 A V E -F 92 0C 29 22,-2.4 22,-2.3 -2,-0.2 2,-0.1 -0.962 21.1-117.5-118.4 130.7 43.7 75.3 -6.3 71 96 A E E -F 91 0C 129 -2,-0.4 2,-0.6 20,-0.2 20,-0.3 -0.436 18.4-152.8 -68.8 138.9 41.5 78.3 -6.6 72 97 A I E -F 90 0C 0 18,-2.3 17,-2.7 15,-0.5 18,-0.6 -0.953 16.2-168.3-111.0 113.4 38.9 78.8 -3.9 73 98 A K > - 0 0 82 -2,-0.6 3,-1.7 15,-0.2 4,-0.4 -0.621 34.7-110.5 -96.7 158.5 35.9 80.6 -5.2 74 99 A P G > S+ 0 0 72 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.910 117.8 55.9 -50.8 -43.1 33.1 82.2 -3.1 75 100 A A G 3 S+ 0 0 95 1,-0.3 13,-0.0 -3,-0.0 -3,-0.0 0.580 91.5 72.7 -72.2 -9.8 30.7 79.6 -4.4 76 101 A D G < S+ 0 0 47 -3,-1.7 -1,-0.3 8,-0.1 2,-0.2 0.685 73.4 105.8 -73.5 -20.4 32.8 76.7 -3.3 77 102 A L < + 0 0 55 -3,-1.5 4,-0.1 -4,-0.4 2,-0.0 -0.429 45.0 173.9 -71.4 136.7 32.0 77.3 0.3 78 103 A V - 0 0 48 -2,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.130 53.4 -52.7-111.5-138.3 29.6 74.8 2.0 79 104 A N S S+ 0 0 101 1,-0.2 2,-0.3 -2,-0.0 -2,-0.1 0.617 123.1 27.1 -90.1 -13.6 28.5 74.5 5.6 80 105 A Y + 0 0 115 1,-0.0 27,-2.8 25,-0.0 28,-0.7 -0.811 61.9 150.8-156.2 98.4 31.8 74.4 7.5 81 106 A N > + 0 0 18 -2,-0.3 4,-2.2 25,-0.2 5,-0.2 -0.450 3.8 156.3-131.9 52.8 34.8 76.0 6.0 82 107 A P T 4 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.797 84.7 23.4 -62.3 -28.5 37.1 77.2 8.8 83 108 A I T >4 S+ 0 0 42 2,-0.1 3,-1.7 -3,-0.1 4,-0.3 0.820 119.4 56.1-100.7 -45.2 40.2 77.2 6.6 84 109 A A G >4 S+ 0 0 0 1,-0.3 3,-2.1 2,-0.2 4,-0.1 0.833 96.3 66.1 -62.8 -30.4 38.9 77.6 3.1 85 110 A E G >< S+ 0 0 96 -4,-2.2 3,-0.8 1,-0.3 -1,-0.3 0.775 94.4 60.5 -63.0 -22.4 37.0 80.8 4.0 86 111 A K G < S+ 0 0 142 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.555 107.3 46.4 -74.8 -9.1 40.4 82.5 4.6 87 112 A H G X S+ 0 0 68 -3,-2.1 3,-2.6 -4,-0.3 -15,-0.5 0.137 72.6 142.9-123.7 14.8 41.3 81.8 1.0 88 113 A V T < S+ 0 0 46 -3,-0.8 -15,-0.2 1,-0.3 3,-0.1 -0.404 83.3 13.4 -63.2 136.0 38.2 82.9 -1.0 89 114 A N T 3 S+ 0 0 116 -17,-2.7 -1,-0.3 1,-0.3 -16,-0.2 0.617 128.9 72.8 63.7 18.3 39.3 84.5 -4.2 90 115 A G E < S-F 72 0C 28 -3,-2.6 -18,-2.3 -18,-0.6 2,-0.3 -0.284 82.7 -98.2-127.5-147.6 42.7 83.0 -3.4 91 116 A T E -F 71 0C 61 -20,-0.3 2,-0.3 -2,-0.1 -20,-0.2 -0.953 14.6-161.7-140.9 159.2 44.2 79.5 -3.4 92 117 A M E -F 70 0C 2 -22,-2.3 -22,-2.4 -2,-0.3 2,-0.0 -0.983 26.5-127.6-136.9 138.6 45.0 76.5 -1.3 93 118 A T E > -F 69 0C 17 -2,-0.3 4,-2.9 -24,-0.3 5,-0.2 -0.308 31.0-105.6 -73.4 166.4 47.4 73.8 -2.4 94 119 A L H > S+ 0 0 1 -26,-1.1 4,-2.4 -29,-0.5 -27,-0.2 0.878 125.8 51.8 -62.7 -33.0 46.4 70.2 -2.3 95 120 A A H > S+ 0 0 20 -29,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.917 110.3 47.3 -64.9 -45.5 48.6 69.8 0.7 96 121 A E H > S+ 0 0 93 -30,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.885 113.2 49.2 -62.1 -39.6 46.9 72.8 2.3 97 122 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.919 111.6 48.9 -65.0 -42.1 43.5 71.3 1.4 98 123 A S H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.922 112.2 48.0 -64.2 -45.3 44.4 67.9 2.8 99 124 A A H X S+ 0 0 20 -4,-2.6 4,-3.2 2,-0.2 5,-0.4 0.909 113.9 46.9 -62.4 -43.7 45.7 69.5 6.0 100 125 A A H X S+ 0 0 3 -4,-2.4 6,-1.9 -5,-0.2 4,-1.7 0.925 115.1 46.0 -64.1 -44.9 42.5 71.6 6.4 101 126 A A H X S+ 0 0 0 -4,-2.8 4,-0.7 4,-0.3 -2,-0.2 0.937 122.7 35.4 -60.7 -49.7 40.2 68.6 5.6 102 127 A L H < S+ 0 0 0 -4,-2.8 108,-0.2 -5,-0.2 -2,-0.2 0.894 126.1 34.8 -75.5 -41.7 42.1 66.3 8.0 103 128 A Q H < S+ 0 0 38 -4,-3.2 87,-2.3 -5,-0.3 88,-0.2 0.706 135.0 20.6 -94.7 -21.5 43.1 68.6 10.8 104 129 A Y H < S- 0 0 96 -4,-1.7 -3,-0.2 -5,-0.4 -2,-0.2 0.374 96.3-122.6-120.6 -5.6 40.1 71.0 10.9 105 130 A S < - 0 0 15 -4,-0.7 2,-0.3 -5,-0.5 -4,-0.3 0.840 41.8-177.0 60.9 38.2 37.4 68.8 9.1 106 131 A D > - 0 0 0 -6,-1.9 4,-1.6 1,-0.2 -25,-0.2 -0.478 17.1-159.7 -69.7 123.3 36.9 71.6 6.5 107 132 A N H > S+ 0 0 10 -27,-2.8 4,-2.1 -2,-0.3 34,-0.3 0.797 89.7 55.2 -80.3 -30.1 34.2 70.5 4.2 108 133 A T H > S+ 0 0 1 -28,-0.7 4,-2.1 2,-0.2 5,-0.2 0.922 107.4 52.2 -61.7 -43.7 35.1 72.8 1.4 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.939 108.4 50.6 -59.1 -43.2 38.6 71.2 1.5 110 135 A M H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.930 107.1 53.4 -59.2 -45.3 37.1 67.8 1.3 111 136 A N H X S+ 0 0 37 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.877 107.8 51.4 -62.6 -32.2 35.0 68.8 -1.7 112 137 A K H X S+ 0 0 40 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.883 110.0 49.0 -68.5 -37.8 38.2 70.0 -3.4 113 138 A L H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.934 111.0 50.0 -64.6 -43.4 39.9 66.7 -2.7 114 139 A I H <>S+ 0 0 3 -4,-2.8 5,-2.6 1,-0.2 3,-0.4 0.933 110.8 49.9 -59.1 -44.5 36.9 64.8 -4.1 115 140 A A H ><5S+ 0 0 68 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.906 106.1 55.5 -60.1 -42.5 37.0 67.0 -7.2 116 141 A Q H 3<5S+ 0 0 58 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.845 109.1 48.7 -56.4 -35.0 40.7 66.3 -7.6 117 142 A L T 3<5S- 0 0 22 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.382 123.6-104.5 -89.7 2.8 39.9 62.6 -7.6 118 143 A G T < 5S- 0 0 71 -3,-1.6 -3,-0.2 -4,-0.3 3,-0.2 0.576 75.4 -45.8 87.1 11.7 37.1 63.0 -10.2 119 144 A G S >>> S+ 0 0 26 0, 0.0 4,-1.9 0, 0.0 3,-0.9 0.866 129.2 62.4 -53.9 -37.6 33.1 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