==== 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 1YLT . COMPND 2 MOLECULE: BETA-LACTAMASE CTX-M-14; . 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) . 10838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 70.3 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 . 39 14.8 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 . 6 2.3 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 0 237 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.5 30.1 34.4 22.4 2 26 A T - 0 0 72 4,-0.0 2,-0.1 3,-0.0 0, 0.0 -0.948 360.0-136.5-130.5 153.9 31.7 37.5 23.9 3 27 A S > - 0 0 51 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.494 41.3-100.9 -89.2 167.7 34.8 38.5 25.8 4 28 A A H > S+ 0 0 56 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.841 124.7 57.1 -58.5 -32.4 34.7 40.9 28.8 5 29 A V H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.968 108.8 44.5 -62.1 -50.5 35.9 43.7 26.4 6 30 A Q H > S+ 0 0 49 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.861 111.1 54.3 -61.0 -37.2 32.9 43.1 24.1 7 31 A Q H X S+ 0 0 104 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.901 108.2 49.2 -64.8 -41.6 30.6 42.9 27.1 8 32 A K H X S+ 0 0 92 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.907 112.0 48.4 -62.3 -41.2 31.8 46.3 28.3 9 33 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.911 110.8 51.1 -65.9 -38.4 31.3 47.8 24.9 10 34 A A H X S+ 0 0 34 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.888 110.4 49.2 -65.4 -37.9 27.8 46.3 24.7 11 35 A A H X S+ 0 0 59 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.898 110.5 49.7 -68.7 -38.9 26.9 47.8 28.0 12 36 A L H X S+ 0 0 24 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.934 111.5 50.2 -61.6 -44.3 28.2 51.2 26.9 13 37 A E H X>S+ 0 0 16 -4,-2.7 4,-0.9 1,-0.2 5,-0.8 0.937 110.7 49.5 -58.3 -47.9 26.1 50.8 23.7 14 38 A K H ><5S+ 0 0 179 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.927 111.3 47.4 -59.1 -46.7 23.0 50.0 25.8 15 39 A S H 3<5S+ 0 0 98 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.840 110.9 53.1 -69.5 -26.4 23.4 52.8 28.1 16 40 A S H 3<5S- 0 0 9 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.590 99.9-133.5 -79.3 -18.0 24.0 55.3 25.3 17 41 A G T <<5S+ 0 0 50 -4,-0.9 -3,-0.1 -3,-0.9 -4,-0.1 0.400 71.5 88.0 80.3 1.6 20.8 54.3 23.4 18 42 A G S >> -AB 232 31A 10 5,-2.6 4,-1.9 -2,-0.5 5,-1.0 -0.901 1.6-163.5 -97.1 109.1 47.0 45.2 17.9 27 51 A T T 345S+ 0 0 33 204,-2.0 205,-0.1 -2,-0.7 -1,-0.1 0.618 78.9 77.4 -77.6 -7.1 50.1 45.2 15.6 28 52 A A T 345S- 0 0 63 203,-0.3 -1,-0.2 202,-0.2 204,-0.1 0.906 125.9 -0.6 -60.1 -40.4 52.2 43.3 18.2 29 53 A D T <45S- 0 0 98 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.310 97.7-115.6-133.4 5.5 50.4 40.1 17.3 30 54 A N T <5 + 0 0 116 -4,-1.9 2,-0.2 1,-0.2 -3,-0.2 0.767 62.0 152.1 59.9 31.4 47.9 41.2 14.5 31 55 A T E < -B 26 0A 68 -5,-1.0 -5,-2.6 2,-0.0 2,-0.4 -0.623 32.1-148.3 -82.5 152.1 45.0 40.3 16.7 32 56 A Q E -B 25 0A 65 -2,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.955 10.1-160.9-118.2 148.2 41.7 42.1 16.3 33 57 A V E -B 24 0A 39 -9,-2.0 -9,-2.5 -2,-0.4 2,-0.4 -0.999 24.0-174.7-123.1 118.0 39.0 43.0 18.8 34 59 A L E -B 23 0A 30 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.913 24.1-175.5-121.8 148.2 35.7 43.8 17.1 35 60 A Y E S-B 22 0A 31 -13,-2.4 -13,-2.5 -2,-0.4 -2,-0.0 -0.960 92.4 -18.9-136.2 115.7 32.2 45.0 18.3 36 61 A R S > S+ 0 0 92 -2,-0.4 3,-1.5 -15,-0.2 123,-0.1 0.881 92.0 162.2 49.4 42.2 29.7 45.1 15.4 37 62 A G T 3 + 0 0 6 1,-0.3 122,-2.6 121,-0.1 123,-0.4 0.712 65.2 42.6 -73.1 -17.4 32.9 45.0 13.3 38 63 A D T 3 S+ 0 0 101 120,-0.2 2,-0.3 119,-0.1 -1,-0.3 0.221 91.4 104.9-110.6 13.6 31.3 43.9 10.0 39 64 A E S < S- 0 0 67 -3,-1.5 2,-0.3 1,-0.0 120,-0.1 -0.683 74.5-114.2 -89.8 143.6 28.2 46.2 10.3 40 65 A R - 0 0 95 -2,-0.3 117,-0.2 117,-0.2 110,-0.2 -0.599 34.4-179.7 -79.0 141.6 28.1 49.4 8.1 41 66 A F E -E 156 0B 0 115,-2.6 115,-1.8 -2,-0.3 2,-0.3 -0.974 37.0 -99.4-134.4 147.6 28.2 52.8 9.7 42 67 A P E -E 155 0B 13 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.545 30.1-155.8 -68.3 127.4 28.1 56.3 8.1 43 68 A M > + 0 0 1 111,-2.3 3,-2.1 -2,-0.3 112,-0.1 0.792 20.2 175.1 -73.1 -32.0 31.6 57.6 7.9 44 69 A C G > S- 0 0 0 110,-0.5 3,-2.0 100,-0.5 -1,-0.2 -0.243 73.6 -9.1 46.6-136.8 31.0 61.4 7.9 45 70 A S G > S+ 0 0 5 167,-0.3 3,-2.0 1,-0.3 4,-0.3 0.567 119.1 82.9 -71.3 -4.8 34.3 63.2 8.0 46 71 A T G X S+ 0 0 0 -3,-2.1 3,-1.4 1,-0.3 4,-0.4 0.793 80.0 70.8 -66.1 -19.3 36.3 60.1 8.7 47 72 A S G <> S+ 0 0 0 -3,-2.0 4,-1.8 1,-0.3 3,-0.3 0.641 77.2 79.4 -63.0 -18.1 36.1 59.7 4.9 48 73 A K H <> S+ 0 0 0 -3,-2.0 4,-2.6 1,-0.2 -1,-0.3 0.779 84.4 61.8 -64.1 -25.5 38.5 62.7 4.6 49 74 A V H <> S+ 0 0 3 -3,-1.4 4,-2.6 -4,-0.3 -1,-0.2 0.926 104.2 46.6 -62.4 -46.9 41.4 60.3 5.4 50 75 A M H > S+ 0 0 2 -4,-0.4 4,-2.1 -3,-0.3 -2,-0.2 0.892 113.4 49.4 -64.2 -41.6 40.7 58.2 2.3 51 76 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.935 113.3 45.1 -62.8 -47.2 40.4 61.4 0.1 52 77 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.924 113.6 50.7 -62.1 -43.3 43.7 62.8 1.5 53 78 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.870 106.3 55.1 -61.9 -38.2 45.4 59.5 1.1 54 79 A A H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.888 109.1 47.3 -64.3 -39.0 44.2 59.2 -2.5 55 80 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.914 109.3 53.8 -67.5 -42.3 45.7 62.5 -3.4 56 81 A L H X S+ 0 0 1 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.920 107.4 52.0 -55.9 -42.6 49.0 61.5 -1.6 57 82 A K H >< S+ 0 0 68 -4,-2.4 3,-1.4 1,-0.2 4,-0.4 0.932 107.3 51.3 -60.1 -46.9 48.9 58.4 -3.9 58 83 A Q H >< S+ 0 0 64 -4,-2.1 3,-1.5 1,-0.2 4,-0.5 0.894 104.5 59.2 -53.6 -40.3 48.6 60.5 -7.0 59 84 A S H 3< S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.3 6,-0.2 0.664 85.8 76.8 -68.3 -16.1 51.6 62.6 -5.8 60 85 A E T << S+ 0 0 45 -3,-1.4 -1,-0.3 -4,-0.7 3,-0.2 0.808 109.5 28.9 -61.7 -30.3 53.8 59.6 -5.8 61 86 A T S < S+ 0 0 128 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 0.276 122.2 53.5-112.3 5.0 54.0 59.9 -9.6 62 87 A Q S > S- 0 0 106 -4,-0.5 3,-2.1 -3,-0.2 4,-0.3 -0.733 75.0-165.6-136.4 85.5 53.5 63.8 -9.8 63 88 A K T 3 S+ 0 0 174 1,-0.3 3,-0.2 -2,-0.3 -1,-0.1 0.624 83.2 36.4 -43.3 -42.6 56.2 65.0 -7.4 64 89 A Q T > S+ 0 0 132 1,-0.2 3,-1.4 2,-0.1 4,-0.3 0.166 82.8 111.5 -99.4 11.8 55.0 68.6 -6.9 65 90 A L G X S+ 0 0 2 -3,-2.1 3,-1.9 1,-0.3 29,-0.5 0.905 74.1 56.3 -57.4 -40.8 51.2 67.8 -7.0 66 91 A L G 3 S+ 0 0 26 -4,-0.3 29,-2.7 1,-0.3 30,-0.4 0.778 105.3 52.2 -64.6 -22.2 50.8 68.6 -3.3 67 92 A N G < S+ 0 0 92 -3,-1.4 -1,-0.3 27,-0.2 -2,-0.2 0.417 79.9 120.1 -95.2 5.8 52.2 72.1 -3.9 68 93 A Q < - 0 0 78 -3,-1.9 26,-1.1 -4,-0.3 2,-0.2 -0.562 64.3-128.3 -69.4 119.7 49.8 72.9 -6.8 69 94 A P E -F 93 0C 81 0, 0.0 2,-0.4 0, 0.0 24,-0.3 -0.553 21.3-161.4 -70.3 139.9 47.7 75.9 -5.9 70 95 A V E -F 92 0C 28 22,-2.3 22,-2.2 -2,-0.2 2,-0.1 -0.961 20.7-118.5-117.9 128.5 43.9 75.5 -6.3 71 96 A E E -F 91 0C 134 -2,-0.4 2,-0.6 20,-0.2 20,-0.3 -0.460 17.6-152.0 -69.6 140.5 41.6 78.5 -6.6 72 97 A I E -F 90 0C 0 18,-2.3 17,-2.6 15,-0.5 18,-0.6 -0.958 15.7-166.4-112.2 112.3 39.0 79.0 -3.9 73 98 A K > - 0 0 92 -2,-0.6 3,-2.0 15,-0.2 4,-0.4 -0.665 33.7-111.9 -92.8 154.1 36.0 80.9 -5.3 74 99 A P G > S+ 0 0 68 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.891 117.8 56.9 -50.9 -40.8 33.3 82.4 -3.1 75 100 A A G 3 S+ 0 0 96 1,-0.3 13,-0.0 -3,-0.0 -3,-0.0 0.595 91.2 72.1 -71.1 -10.6 30.8 79.8 -4.5 76 101 A D G < S+ 0 0 46 -3,-2.0 -1,-0.3 8,-0.1 2,-0.2 0.661 73.3 105.4 -76.3 -16.9 33.0 76.9 -3.3 77 102 A L < + 0 0 56 -3,-1.5 2,-0.1 -4,-0.4 4,-0.1 -0.437 44.9 174.8 -74.2 136.0 32.1 77.5 0.3 78 103 A V - 0 0 49 -2,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.073 53.1 -52.4-110.8-139.7 29.7 75.1 2.0 79 104 A N S S+ 0 0 104 1,-0.2 2,-0.3 -2,-0.1 -2,-0.1 0.646 122.7 27.4 -90.0 -13.4 28.6 74.8 5.6 80 105 A Y + 0 0 115 1,-0.0 27,-2.7 25,-0.0 28,-0.6 -0.818 61.3 151.4-156.3 99.4 31.9 74.6 7.5 81 106 A N > + 0 0 19 -2,-0.3 4,-2.1 25,-0.2 5,-0.2 -0.441 3.4 156.9-131.8 55.1 34.9 76.3 6.0 82 107 A P T 4 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.785 85.0 22.5 -62.4 -30.4 37.2 77.4 8.9 83 108 A I T >4 S+ 0 0 39 -3,-0.1 3,-1.6 2,-0.1 4,-0.3 0.813 119.1 56.9 -99.1 -46.1 40.4 77.5 6.7 84 109 A A G >4 S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.817 96.1 66.4 -60.2 -31.6 39.0 77.9 3.2 85 110 A E G >< S+ 0 0 108 -4,-2.1 3,-0.7 1,-0.3 -1,-0.3 0.776 93.9 60.5 -60.7 -23.9 37.2 81.1 4.1 86 111 A K G < S+ 0 0 135 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.600 107.4 46.1 -74.0 -14.4 40.5 82.7 4.6 87 112 A H G X S+ 0 0 69 -3,-2.0 3,-2.6 -4,-0.3 -15,-0.5 0.160 71.3 143.0-121.3 16.4 41.4 82.0 1.0 88 113 A V T < S+ 0 0 46 -3,-0.7 -15,-0.2 1,-0.3 3,-0.1 -0.403 83.0 13.7 -63.6 136.0 38.4 83.1 -1.0 89 114 A N T 3 S+ 0 0 120 -17,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.616 128.3 74.2 60.6 18.4 39.5 84.7 -4.2 90 115 A G E < S-F 72 0C 29 -3,-2.6 -18,-2.3 -18,-0.6 2,-0.3 -0.318 82.5 -99.1-125.1-146.7 42.9 83.2 -3.4 91 116 A T E -F 71 0C 63 -20,-0.3 2,-0.3 -2,-0.2 -20,-0.2 -0.941 14.7-162.1-143.1 158.5 44.3 79.8 -3.5 92 117 A M E -F 70 0C 2 -22,-2.2 -22,-2.3 -2,-0.3 2,-0.1 -0.979 25.9-128.0-137.7 137.6 45.2 76.7 -1.4 93 118 A T E > -F 69 0C 18 -2,-0.3 4,-2.8 -24,-0.3 5,-0.2 -0.319 31.4-105.6 -74.6 165.9 47.6 74.0 -2.4 94 119 A L H > S+ 0 0 1 -26,-1.1 4,-2.3 -29,-0.5 -27,-0.2 0.875 124.8 52.4 -63.0 -32.2 46.5 70.4 -2.3 95 120 A A H > S+ 0 0 20 -29,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.918 110.0 47.3 -64.0 -45.1 48.8 70.0 0.8 96 121 A E H > S+ 0 0 96 -30,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.884 113.0 49.6 -65.2 -38.1 47.0 73.0 2.4 97 122 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.902 111.1 49.1 -64.8 -42.3 43.6 71.5 1.5 98 123 A S H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.924 111.9 48.5 -65.3 -44.0 44.6 68.1 2.9 99 124 A A H X S+ 0 0 20 -4,-2.7 4,-3.0 2,-0.2 5,-0.5 0.902 113.5 47.1 -61.0 -44.4 45.8 69.7 6.1 100 125 A A H X S+ 0 0 4 -4,-2.3 6,-1.9 -5,-0.2 4,-1.6 0.931 114.1 47.0 -65.2 -43.9 42.6 71.8 6.4 101 126 A A H X S+ 0 0 0 -4,-2.7 4,-0.6 4,-0.2 -2,-0.2 0.935 122.3 35.0 -60.8 -49.0 40.4 68.8 5.7 102 127 A L H < S+ 0 0 1 -4,-2.6 108,-0.2 -5,-0.2 -2,-0.2 0.886 125.8 34.7 -76.6 -42.4 42.2 66.5 8.1 103 128 A Q H < S+ 0 0 39 -4,-3.0 87,-2.1 -5,-0.3 88,-0.2 0.716 135.2 20.3 -94.4 -23.3 43.2 68.8 11.0 104 129 A Y H < S- 0 0 98 -4,-1.6 -3,-0.2 -5,-0.5 -2,-0.1 0.363 96.6-122.9-117.7 -6.8 40.2 71.2 11.0 105 130 A S < - 0 0 15 -4,-0.6 2,-0.3 -5,-0.5 -4,-0.2 0.850 41.1-177.1 61.7 38.1 37.6 69.1 9.2 106 131 A D > - 0 0 0 -6,-1.9 4,-1.6 1,-0.2 -25,-0.2 -0.463 17.3-159.2 -70.1 124.2 37.1 71.8 6.6 107 132 A N H > S+ 0 0 9 -27,-2.7 4,-2.2 -2,-0.3 34,-0.2 0.817 89.2 55.1 -81.9 -29.0 34.3 70.7 4.2 108 133 A T H > S+ 0 0 1 -28,-0.6 4,-2.1 2,-0.2 5,-0.2 0.934 107.7 52.2 -64.1 -42.6 35.3 73.0 1.4 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.937 108.3 50.3 -60.1 -44.3 38.7 71.5 1.5 110 135 A M H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.926 107.4 53.9 -58.0 -46.4 37.2 68.0 1.3 111 136 A N H X S+ 0 0 37 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.879 108.2 50.6 -59.9 -31.7 35.2 69.0 -1.7 112 137 A K H X S+ 0 0 40 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.891 109.5 50.3 -70.2 -39.3 38.4 70.2 -3.4 113 138 A L H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.929 110.7 49.1 -64.5 -44.2 40.1 66.9 -2.7 114 139 A I H <>S+ 0 0 3 -4,-2.7 5,-2.5 1,-0.2 3,-0.4 0.928 110.5 51.3 -60.3 -43.7 37.1 65.0 -4.1 115 140 A A H ><5S+ 0 0 66 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.914 105.7 55.1 -60.1 -41.7 37.2 67.2 -7.2 116 141 A Q H 3<5S+ 0 0 60 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.836 109.0 48.9 -57.1 -34.6 40.9 66.5 -7.7 117 142 A L T 3<5S- 0 0 22 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.374 122.9-104.8 -88.5 2.1 40.1 62.8 -7.7 118 143 A G T < 5S- 0 0 71 -3,-1.6 -3,-0.2 -4,-0.3 3,-0.2 0.586 75.9 -44.5 86.3 12.8 37.3 63.2 -10.2 119 144 A G S >>> S+ 0 0 27 0, 0.0 4,-1.9 0, 0.0 3,-0.9 0.848 129.7 61.8 -52.1 -37.7 33.3 60.6 -5.0 121 146 A G H 3> S+ 0 0 51 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.754 95.0 62.0 -64.3 -22.9 33.9 57.5 -7.1 122 147 A G H <> S+ 0 0 21 -3,-1.7 4,-1.5 2,-0.2 -1,-0.3 0.806 103.8 48.6 -67.5 -34.0 37.5 58.5 -7.4 123 148 A V H <>S+ 0 0 0 -4,-2.1 5,-2.9 1,-0.2 3,-0.7 0.932 108.8 47.4 -52.0 -50.1 40.0 52.4 -1.7 128 153 A R H ><5S+ 0 0 96 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.878 106.9 57.9 -61.4 -38.7 39.7 49.4 -4.0 129 154 A A H 3<5S+ 0 0 83 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.729 107.9 46.7 -64.4 -26.5 43.2 49.9 -5.2 130 155 A I T <<5S- 0 0 24 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.174 127.2 -97.4-101.1 16.7 44.6 49.5 -1.7 131 156 A G T < 5S+ 0 0 46 -3,-1.7 2,-0.8 1,-0.3 -3,-0.2 0.536 78.4 137.6 87.0 10.7 42.5 46.5 -1.0 132 157 A D < + 0 0 4 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.825 21.0 172.7 -91.3 109.3 39.6 48.1 0.9 133 158 A E + 0 0 130 -2,-0.8 -1,-0.1 -3,-0.1 -5,-0.1 0.322 69.1 52.2 -99.6 2.7 36.6 46.4 -0.6 134 159 A T S S+ 0 0 36 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.759 77.8 96.0-109.5 -43.7 34.0 47.9 1.8 135 160 A F - 0 0 0 21,-0.1 2,-0.3 22,-0.1 21,-0.2 -0.271 46.2-179.8 -51.3 140.8 34.4 51.7 1.8 136 161 A R - 0 0 84 19,-1.7 2,-0.5 16,-0.1 19,-0.3 -0.972 15.2-166.5-144.0 132.8 32.0 53.6 -0.5 137 162 A L + 0 0 6 -2,-0.3 -13,-0.3 -17,-0.3 -14,-0.1 -0.982 18.8 161.3-114.8 122.1 31.9 57.4 -1.0 138 163 A D + 0 0 61 -2,-0.5 2,-0.2 6,-0.1 -17,-0.2 0.652 56.2 34.5-108.2 -34.9 28.7 58.4 -2.8 139 164 A R - 0 0 36 -19,-0.1 2,-0.1 -20,-0.1 -1,-0.1 -0.764 67.0-123.1-129.9 165.0 28.2 62.1 -2.1 140 165 A T > - 0 0 59 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.310 58.1 -32.6 -93.6-179.4 30.1 65.3 -1.5 141 166 A E T 4 S+ 0 0 3 1,-0.3 -1,-0.1 -34,-0.2 -30,-0.0 -0.737 119.4 9.4 -81.7 136.3 30.0 67.7 1.4 142 167 A P T >4 S+ 0 0 58 0, 0.0 3,-1.9 0, 0.0 -1,-0.3 -0.994 122.0 56.6 -95.1 -4.3 27.6 68.3 3.1 143 168 A T G >4 S+ 0 0 69 1,-0.3 3,-1.5 2,-0.2 -2,-0.2 0.718 88.8 76.6 -68.9 -15.3 25.2 65.7 2.0 144 169 A L G 3< S+ 0 0 1 -4,-2.1 -100,-0.5 1,-0.3 3,-0.3 0.610 88.9 64.2 -66.7 -7.8 27.5 62.7 2.7 145 170 A N G < + 0 0 18 -3,-1.9 69,-2.3 -5,-0.2 -1,-0.3 0.225 62.5 107.5 -98.5 12.1 26.6 63.3 6.4 146 171 A T < - 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