==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 01-FEB-09 3G2Z . COMPND 2 MOLECULE: BETA-LACTAMASE CTX-M-9A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.CHEN,B.K.SHOICHET . 523 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 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 15.7 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 . 78 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 32.3 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 6 3 1 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 26 A T 0 0 95 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 128.9 18.5 74.4 1.2 2 27 A S > - 0 0 47 1,-0.1 4,-1.9 410,-0.0 5,-0.1 -0.484 360.0-111.8 -95.6 166.6 20.4 71.2 1.5 3 28 A A H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.911 121.4 52.1 -58.5 -45.3 20.8 68.2 -1.0 4 29 A V H > S+ 0 0 23 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.903 107.5 51.5 -61.6 -42.3 18.8 66.1 1.4 5 30 A Q H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.869 109.5 50.8 -61.5 -36.4 16.0 68.8 1.4 6 31 A Q H X S+ 0 0 103 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.876 109.7 49.3 -71.1 -35.2 16.0 68.8 -2.4 7 32 A K H X S+ 0 0 91 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.920 111.9 48.9 -65.2 -44.9 15.7 65.0 -2.4 8 33 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.892 109.0 53.9 -61.3 -39.0 12.8 65.2 0.0 9 34 A A H X S+ 0 0 34 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.899 108.4 48.8 -60.9 -40.4 11.2 67.9 -2.2 10 35 A A H X S+ 0 0 56 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.892 111.5 49.6 -66.0 -41.6 11.4 65.6 -5.2 11 36 A L H X S+ 0 0 29 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.944 111.9 48.4 -59.4 -48.7 9.9 62.8 -3.2 12 37 A E H X S+ 0 0 18 -4,-2.7 4,-1.1 1,-0.2 5,-0.5 0.921 109.7 52.5 -58.7 -46.1 7.1 65.1 -2.1 13 38 A K H >< S+ 0 0 180 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.913 112.4 44.1 -57.0 -46.0 6.5 66.3 -5.6 14 39 A S H 3< S+ 0 0 108 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.744 108.3 60.6 -69.6 -23.5 6.1 62.7 -7.0 15 40 A S H 3< S- 0 0 11 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.703 96.3-136.5 -79.2 -24.4 3.9 61.7 -4.0 16 41 A G S << S+ 0 0 57 -4,-1.1 -3,-0.1 -3,-0.6 -4,-0.1 0.301 73.0 77.9 83.8 -8.5 1.2 64.3 -4.7 17 42 A G S S- 0 0 17 -5,-0.5 2,-0.4 222,-0.1 -1,-0.3 -0.165 87.7 -82.8-114.7-154.9 0.9 65.2 -1.0 18 43 A R E -A 238 0A 68 220,-2.9 220,-2.1 -3,-0.1 2,-0.4 -0.987 38.8-161.5-123.8 125.6 2.6 67.2 1.7 19 44 A L E -A 237 0A 0 -2,-0.4 2,-0.4 218,-0.2 218,-0.2 -0.881 7.3-170.2-115.6 136.3 5.6 65.8 3.5 20 45 A G E +A 236 0A 0 216,-3.1 216,-3.0 -2,-0.4 2,-0.4 -0.996 10.4 177.7-126.5 130.1 7.1 66.8 6.9 21 46 A V E +AB 235 34A 0 13,-2.8 13,-2.7 -2,-0.4 2,-0.4 -0.994 10.3 177.0-134.6 137.6 10.4 65.5 8.2 22 47 A A E -AB 234 33A 0 212,-1.9 212,-2.6 -2,-0.4 2,-0.4 -0.957 6.1-177.2-139.2 123.3 12.5 66.2 11.3 23 48 A L E -AB 233 32A 5 9,-2.7 9,-1.4 -2,-0.4 2,-0.5 -0.965 7.9-169.9-114.4 134.0 15.7 64.4 12.1 24 49 A I E -AB 232 31A 4 208,-2.6 208,-2.4 -2,-0.4 2,-0.7 -0.997 8.1-160.7-115.6 123.2 17.8 64.9 15.3 25 50 A D E >>> -AB 231 30A 5 5,-2.5 4,-2.1 -2,-0.5 3,-1.3 -0.914 3.1-161.0-100.0 109.8 21.2 63.1 15.1 26 51 A T T 345S+ 0 0 25 204,-2.0 205,-0.1 -2,-0.7 -1,-0.1 0.519 80.0 81.6 -72.7 -4.0 22.3 62.9 18.7 27 52 A A T 345S- 0 0 58 202,-0.3 -1,-0.3 203,-0.2 204,-0.1 0.858 125.8 -6.0 -62.1 -35.9 25.9 62.3 17.5 28 53 A D T <45S- 0 0 93 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.1 0.281 95.7-114.8-141.0 0.3 26.2 66.1 17.2 29 54 A N T <5 + 0 0 89 -4,-2.1 -3,-0.2 1,-0.2 2,-0.1 0.674 64.9 149.1 63.9 21.4 22.6 67.3 17.9 30 55 A T E < -B 25 0A 72 -5,-0.8 -5,-2.5 -6,-0.0 2,-0.4 -0.408 32.9-145.3 -80.5 162.1 22.3 68.6 14.3 31 56 A Q E -B 24 0A 88 -7,-0.2 2,-0.5 -2,-0.1 -7,-0.2 -0.959 15.4-157.8-134.3 142.8 18.9 68.6 12.6 32 57 A V E -B 23 0A 37 -9,-1.4 -9,-2.7 -2,-0.4 2,-0.4 -0.999 24.0-174.2-116.8 127.3 17.5 68.1 9.1 33 59 A L E +B 22 0A 29 -2,-0.5 2,-0.4 -11,-0.2 -11,-0.2 -0.957 18.9 179.7-123.1 139.5 14.1 69.7 8.7 34 60 A Y E S-B 21 0A 27 -13,-2.7 -13,-2.8 -2,-0.4 4,-0.1 -0.939 90.7 -17.5-136.1 115.4 11.7 69.5 5.8 35 61 A R S > S+ 0 0 88 -2,-0.4 3,-1.4 -15,-0.2 123,-0.1 0.889 90.8 162.8 50.6 41.5 8.5 71.6 6.5 36 62 A G T 3 + 0 0 5 1,-0.3 122,-2.3 121,-0.1 123,-0.4 0.710 66.9 42.2 -64.7 -23.5 9.7 71.3 10.0 37 63 A D T 3 S+ 0 0 100 120,-0.1 2,-0.3 119,-0.1 -1,-0.3 0.247 91.2 103.5-111.9 12.9 7.5 74.1 11.3 38 64 A E S < S- 0 0 68 -3,-1.4 2,-0.2 -4,-0.1 120,-0.1 -0.727 73.6-114.1 -92.3 145.0 4.3 73.2 9.4 39 65 A R + 0 0 94 -2,-0.3 117,-0.2 117,-0.2 110,-0.2 -0.563 34.2 178.3 -80.5 140.5 1.4 71.6 11.3 40 66 A F E -E 155 0B 1 115,-2.6 115,-1.7 -2,-0.2 2,-0.3 -0.980 38.5 -98.7-133.8 151.1 0.3 68.0 10.4 41 67 A P E -E 154 0B 10 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.512 29.3-153.9 -68.9 131.3 -2.4 65.8 11.9 42 68 A M > + 0 0 1 111,-2.5 3,-1.9 -2,-0.3 112,-0.1 0.815 22.9 173.8 -76.1 -32.7 -0.7 63.5 14.4 43 69 A C G > S- 0 0 0 110,-0.5 3,-2.1 100,-0.5 4,-0.2 -0.247 73.0 -9.5 48.8-139.9 -3.3 60.7 14.3 44 70 A S G > S+ 0 0 8 167,-0.3 3,-1.9 1,-0.3 4,-0.3 0.592 120.5 81.4 -66.4 -8.1 -2.0 57.7 16.3 45 71 A T G X S+ 0 0 0 -3,-1.9 3,-1.5 1,-0.3 4,-0.5 0.798 80.3 70.8 -64.5 -22.3 1.5 59.2 16.8 46 72 A S G <> S+ 0 0 0 -3,-2.1 4,-1.7 1,-0.3 -1,-0.3 0.662 77.5 80.0 -64.0 -18.2 -0.2 61.1 19.6 47 73 A K H <> S+ 0 0 0 -3,-1.9 4,-2.6 1,-0.2 -1,-0.3 0.812 83.8 61.2 -60.2 -29.3 -0.4 57.8 21.5 48 74 A V H <> S+ 0 0 3 -3,-1.5 4,-2.5 -4,-0.3 -1,-0.2 0.930 104.3 47.4 -63.3 -44.1 3.2 58.3 22.5 49 75 A M H > S+ 0 0 2 -4,-0.5 4,-2.0 -3,-0.3 -2,-0.2 0.903 113.8 47.6 -64.2 -39.8 2.4 61.6 24.4 50 76 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.932 113.7 46.0 -67.2 -46.0 -0.6 59.9 26.2 51 77 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.921 113.2 50.9 -62.2 -42.0 1.4 56.8 27.2 52 78 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.863 106.6 54.2 -64.0 -36.9 4.3 59.0 28.4 53 79 A A H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.893 109.3 47.9 -64.8 -39.6 1.9 61.2 30.4 54 80 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.909 109.5 53.1 -66.8 -41.5 0.6 58.1 32.2 55 81 A L H X S+ 0 0 1 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.914 107.4 52.6 -57.5 -42.1 4.3 57.0 32.8 56 82 A K H >< S+ 0 0 67 -4,-2.4 3,-1.4 1,-0.2 4,-0.4 0.937 107.7 50.3 -59.4 -45.0 4.9 60.4 34.3 57 83 A Q H >X S+ 0 0 54 -4,-2.1 3,-1.5 1,-0.3 4,-0.6 0.862 102.9 61.9 -60.1 -35.8 2.0 60.0 36.7 58 84 A S H 3< S+ 0 0 8 -4,-2.0 -1,-0.3 1,-0.3 6,-0.2 0.697 85.8 75.7 -66.6 -17.4 3.4 56.6 37.7 59 85 A E T << S+ 0 0 68 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.785 108.2 30.6 -63.1 -27.3 6.5 58.3 39.0 60 86 A T T <4 S+ 0 0 129 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 0.400 122.6 52.0-113.3 0.2 4.5 59.3 42.1 61 87 A Q >< - 0 0 90 -4,-0.6 3,-2.1 -3,-0.1 4,-0.3 -0.813 67.3-170.2-132.6 91.4 2.1 56.3 42.1 62 88 A K T 3 S+ 0 0 190 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.795 86.7 43.2 -52.4 -33.6 4.3 53.2 42.0 63 89 A Q T > S+ 0 0 121 1,-0.2 3,-1.8 2,-0.1 4,-0.3 0.349 80.0 106.5 -96.8 4.5 1.3 51.0 41.4 64 90 A L G X S+ 0 0 3 -3,-2.1 3,-2.1 1,-0.3 29,-0.5 0.857 73.5 58.6 -55.6 -41.1 -0.5 53.1 38.8 65 91 A L G 3 S+ 0 0 30 -4,-0.3 29,-2.4 -3,-0.3 30,-0.4 0.695 104.0 54.4 -65.9 -15.8 0.3 50.8 35.9 66 92 A N G < S+ 0 0 101 -3,-1.8 -1,-0.3 27,-0.2 -2,-0.2 0.416 80.3 119.9 -94.4 1.5 -1.5 48.0 37.7 67 93 A Q < - 0 0 79 -3,-2.1 26,-1.3 -4,-0.3 2,-0.1 -0.516 63.2-128.1 -69.7 126.4 -4.7 50.0 38.1 68 94 A P E -F 92 0C 82 0, 0.0 2,-0.4 0, 0.0 24,-0.2 -0.460 19.9-163.7 -77.5 147.3 -7.7 48.3 36.4 69 95 A V E -F 91 0C 29 22,-1.9 22,-2.1 -2,-0.1 2,-0.2 -0.999 22.3-119.7-131.3 128.4 -9.9 50.1 34.0 70 96 A E E -F 90 0C 120 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.451 19.1-156.6 -68.2 133.6 -13.3 48.8 32.9 71 97 A I E -F 89 0C 0 18,-2.5 17,-2.6 15,-0.4 18,-0.6 -0.967 15.4-172.7-111.8 114.6 -13.9 48.1 29.2 72 98 A K >> - 0 0 80 -2,-0.6 3,-1.7 15,-0.2 4,-0.7 -0.724 37.4-113.4-104.6 154.2 -17.5 48.2 28.3 73 99 A P G >4 S+ 0 0 74 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.883 118.9 56.9 -51.7 -37.1 -19.1 47.3 25.0 74 100 A A G 34 S+ 0 0 96 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.673 96.6 65.1 -68.7 -17.5 -20.1 51.0 24.5 75 101 A D G <4 S+ 0 0 48 -3,-1.7 -1,-0.2 2,-0.0 35,-0.1 0.722 75.7 107.3 -75.8 -23.8 -16.4 52.0 24.9 76 102 A L << + 0 0 54 -3,-1.1 2,-0.1 -4,-0.7 4,-0.1 -0.357 46.5 177.4 -65.1 130.8 -15.3 50.2 21.7 77 103 A V - 0 0 45 -2,-0.1 3,-0.2 2,-0.1 -1,-0.1 0.060 49.1 -55.9-108.2-138.2 -14.5 52.5 18.8 78 104 A N S S+ 0 0 102 1,-0.2 2,-0.2 -2,-0.1 -2,-0.1 0.529 121.7 27.9 -91.6 -9.1 -13.2 51.9 15.3 79 105 A Y + 0 0 123 1,-0.0 27,-3.1 0, 0.0 28,-0.6 -0.749 62.8 147.3-158.3 100.4 -10.0 49.9 15.9 80 106 A N > + 0 0 18 -2,-0.2 4,-2.3 25,-0.2 5,-0.2 -0.358 2.1 156.9-139.6 52.1 -9.8 47.8 19.0 81 107 A P T 4 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.766 86.8 24.8 -58.2 -29.8 -7.6 44.7 18.3 82 108 A I T >4 S+ 0 0 27 -3,-0.1 3,-1.5 2,-0.1 4,-0.4 0.838 119.2 54.7 -98.9 -48.3 -6.8 44.2 22.0 83 109 A A G >4 S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.822 97.6 65.1 -60.5 -31.8 -9.6 46.0 23.9 84 110 A E G 3< S+ 0 0 120 -4,-2.3 3,-0.5 1,-0.3 -1,-0.3 0.772 97.9 56.8 -63.6 -23.5 -12.3 43.9 22.1 85 111 A K G < S+ 0 0 145 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.654 109.9 44.4 -77.3 -17.9 -10.9 40.8 23.8 86 112 A H S X S+ 0 0 58 -3,-1.6 3,-1.8 -4,-0.4 -15,-0.4 0.253 77.3 140.0-115.8 10.6 -11.4 42.3 27.3 87 113 A V T 3 S+ 0 0 37 -3,-0.5 -15,-0.2 -4,-0.4 3,-0.1 -0.242 73.5 21.9 -57.6 142.6 -14.9 43.8 27.0 88 114 A N T 3 S+ 0 0 115 -17,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.548 124.8 64.4 65.9 10.4 -17.0 43.4 30.1 89 115 A G E < S-F 71 0C 31 -3,-1.8 -18,-2.5 -18,-0.6 -1,-0.3 -0.414 87.2 -94.7-129.3-148.8 -13.8 43.0 32.0 90 116 A T E -F 70 0C 71 -20,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.908 16.7-157.7-134.0 159.7 -10.8 45.2 32.8 91 117 A M E -F 69 0C 0 -22,-2.1 -22,-1.9 -2,-0.3 2,-0.1 -0.987 26.0-120.9-131.3 147.2 -7.4 46.1 31.5 92 118 A T E > -F 68 0C 30 -2,-0.3 4,-2.5 -24,-0.2 5,-0.2 -0.362 29.1-108.2 -78.6 165.1 -4.6 47.7 33.5 93 119 A L H > S+ 0 0 0 -26,-1.3 4,-2.4 -29,-0.5 -27,-0.2 0.843 122.6 53.4 -63.3 -31.4 -3.0 51.0 32.6 94 120 A A H > S+ 0 0 26 -29,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.933 109.5 47.6 -65.0 -45.0 0.1 49.1 31.5 95 121 A E H > S+ 0 0 85 -30,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.889 113.6 48.0 -62.0 -39.4 -2.0 46.8 29.3 96 122 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.892 111.3 50.3 -69.5 -40.1 -3.7 49.8 27.8 97 123 A S H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.940 113.3 45.5 -60.7 -47.4 -0.4 51.6 27.2 98 124 A A H X S+ 0 0 19 -4,-2.8 4,-2.9 2,-0.2 5,-0.5 0.896 113.4 49.7 -62.9 -42.5 1.1 48.6 25.5 99 125 A A H X S+ 0 0 4 -4,-2.4 6,-1.9 -5,-0.2 4,-1.6 0.922 113.3 46.5 -64.3 -44.3 -2.1 48.0 23.4 100 126 A A H X S+ 0 0 0 -4,-2.5 4,-1.0 4,-0.3 -2,-0.2 0.954 121.5 35.8 -60.8 -49.9 -2.1 51.7 22.3 101 127 A L H < S+ 0 0 2 -4,-2.7 108,-0.2 -5,-0.2 -2,-0.2 0.925 126.2 33.7 -75.3 -43.8 1.6 51.8 21.5 102 128 A Q H < S+ 0 0 36 -4,-2.9 87,-2.1 -5,-0.2 88,-0.3 0.717 134.8 22.4 -91.5 -21.5 2.2 48.4 20.0 103 129 A Y H < S- 0 0 95 -4,-1.6 -3,-0.2 -5,-0.5 -2,-0.2 0.422 96.4-122.6-120.8 -5.6 -1.1 47.7 18.3 104 130 A S < - 0 0 13 -4,-1.0 2,-0.4 -5,-0.4 -4,-0.3 0.834 41.6-176.2 64.2 34.1 -2.5 51.2 17.8 105 131 A D > - 0 0 0 -6,-1.9 4,-1.7 1,-0.2 -25,-0.2 -0.496 15.9-161.6 -69.3 119.9 -5.6 50.3 19.8 106 132 A N H > S+ 0 0 9 -27,-3.1 4,-2.0 -2,-0.4 34,-0.3 0.814 89.0 53.1 -76.9 -33.7 -8.0 53.2 19.8 107 133 A T H > S+ 0 0 1 -28,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.920 108.6 52.8 -64.5 -42.1 -10.1 52.2 22.7 108 134 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.931 107.4 51.6 -58.2 -44.6 -6.9 51.9 24.7 109 135 A M H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.916 105.8 54.6 -58.4 -43.7 -5.9 55.4 23.7 110 136 A N H X S+ 0 0 32 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.868 107.4 50.7 -61.1 -34.2 -9.3 56.7 24.9 111 137 A K H X S+ 0 0 38 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.873 110.1 49.3 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179.0 -52.8 137.5 35.2 73.6 -6.1 397 161 B R - 0 0 69 19,-1.4 2,-0.5 16,-0.1 19,-0.3 -0.962 17.1-167.5-144.1 131.3 31.5 73.3 -6.5 398 162 B L + 0 0 3 -2,-0.3 -13,-0.3 -17,-0.3 -14,-0.1 -0.989 18.7 160.1-111.0 127.7 29.0 75.4 -8.4 399 163 B D + 0 0 59 -2,-0.5 2,-0.3 1,-0.1 -17,-0.2 0.637 55.8 34.9-116.6 -29.4 25.4 74.6 -7.5 400 164 B R - 0 0 35 -19,-0.1 -1,-0.1 -20,-0.1 2,-0.1 -0.834 67.8-121.1-132.9 163.2 23.3 77.6 -8.6 401 165 B T > - 0 0 63 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.296 58.6 -37.4 -86.9 179.7 23.1 80.2 -11.4 402 166 B E T 4 S+ 0 0 3 -34,-0.3 -1,-0.1 1,-0.3 -30,-0.0 -0.701 119.4 13.9 -76.8 139.9 23.2 84.0 -11.0 403 167 B P T >4 S+ 0 0 52 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 -0.995 121.9 54.5 -96.1 -3.3 22.0 85.7 -8.8 404 168 B T G >4 S+ 0 0 68 1,-0.3 3,-1.6 2,-0.1 -2,-0.2 0.721 90.1 76.5 -69.7 -16.9 21.2 83.0 -6.2 405 169 B L G 3< S+ 0 0 1 -4,-2.1 -100,-0.5 1,-0.3 3,-0.3 0.611 90.2 62.8 -63.0 -9.2 24.8 81.6 -6.1 406 170 B N G < + 0 0 18 -3,-1.8 69,-2.1 -5,-0.2 -1,-0.3 0.219 62.3 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