==== 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 21-JAN-05 1YMS . COMPND 2 MOLECULE: BETA-LACTAMASE CTX-M-9; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.CHEN,B.SHOICHET,R.BONNET . 524 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21614.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 70.2 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 . 78 14.9 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 . 77 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 31.1 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 5 2 6 3 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 3 0 1 4 0 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 Q 0 0 80 0, 0.0 2,-0.5 0, 0.0 411,-0.0 0.000 360.0 360.0 360.0 153.1 -1.9 77.0 20.8 2 26 A T - 0 0 67 4,-0.0 2,-0.1 3,-0.0 0, 0.0 -0.974 360.0-155.4-119.5 120.4 -0.8 73.8 22.6 3 27 A S > - 0 0 49 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.358 32.0-104.5 -86.7 170.0 -3.0 70.6 22.1 4 28 A A H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.901 123.7 50.1 -58.9 -44.5 -3.3 67.6 24.5 5 29 A V H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.918 109.3 49.6 -63.2 -43.3 -1.1 65.6 22.1 6 30 A Q H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.884 110.3 52.2 -63.8 -36.2 1.5 68.3 22.0 7 31 A Q H X S+ 0 0 134 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.911 109.9 48.4 -65.6 -41.1 1.5 68.4 25.8 8 32 A K H X S+ 0 0 109 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.895 110.5 50.6 -66.1 -39.3 2.0 64.6 25.9 9 33 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.885 109.0 52.6 -66.7 -35.5 4.9 64.8 23.4 10 34 A A H X S+ 0 0 34 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.888 109.4 48.9 -65.5 -38.1 6.5 67.5 25.5 11 35 A A H X S+ 0 0 56 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.890 110.9 50.0 -68.2 -38.9 6.2 65.3 28.6 12 36 A L H X S+ 0 0 29 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.949 111.6 49.2 -63.7 -46.6 7.7 62.4 26.7 13 37 A E H X S+ 0 0 17 -4,-2.7 4,-1.3 1,-0.2 5,-0.5 0.921 108.3 53.2 -59.0 -45.2 10.6 64.7 25.6 14 38 A K H < S+ 0 0 181 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.919 110.9 45.8 -58.6 -43.1 11.2 65.9 29.1 15 39 A S H < S+ 0 0 112 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.728 109.2 57.3 -72.2 -20.8 11.5 62.4 30.5 16 40 A S H < S- 0 0 12 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.721 95.1-139.9 -82.1 -23.7 13.8 61.4 27.6 17 41 A G S < S+ 0 0 57 -4,-1.3 -3,-0.1 -3,-0.5 -4,-0.1 0.388 71.3 86.2 78.7 -5.3 16.4 64.1 28.2 18 42 A G S S- 0 0 16 -5,-0.5 2,-0.5 222,-0.1 -1,-0.3 -0.187 86.4 -87.6-109.3-158.0 16.8 64.7 24.5 19 43 A R E -A 239 0A 69 220,-2.8 220,-2.0 -3,-0.1 2,-0.4 -0.984 38.2-163.2-122.5 122.7 15.1 66.8 21.8 20 44 A L E -A 238 0A 0 -2,-0.5 2,-0.4 218,-0.2 218,-0.2 -0.864 6.6-170.6-109.6 137.2 12.1 65.3 19.9 21 45 A G E +A 237 0A 0 216,-2.9 216,-3.1 -2,-0.4 2,-0.4 -0.997 10.1 179.6-128.9 129.0 10.6 66.5 16.6 22 46 A V E +AB 236 35A 0 13,-2.8 13,-2.6 -2,-0.4 2,-0.4 -0.987 11.4 176.0-133.5 140.4 7.3 65.2 15.3 23 47 A A E -AB 235 34A 1 212,-2.0 212,-2.5 -2,-0.4 2,-0.4 -0.955 6.3-178.3-144.2 121.5 5.2 65.9 12.2 24 48 A L E -AB 234 33A 6 9,-2.5 9,-1.6 -2,-0.4 2,-0.5 -0.945 9.2-168.8-117.1 138.0 2.0 64.0 11.3 25 49 A I E -AB 233 32A 1 208,-2.3 208,-2.1 -2,-0.4 2,-0.8 -0.995 9.4-158.7-122.7 122.1 -0.1 64.5 8.2 26 50 A D E >>> -AB 232 31A 16 5,-2.7 4,-2.0 -2,-0.5 3,-1.4 -0.894 1.0-162.5 -99.7 109.2 -3.5 62.8 8.4 27 51 A T T 345S+ 0 0 27 204,-2.0 205,-0.1 -2,-0.8 -1,-0.1 0.518 79.5 81.0 -73.4 -0.3 -4.7 62.4 4.8 28 52 A A T 345S- 0 0 64 202,-0.3 -1,-0.3 203,-0.2 204,-0.1 0.838 125.9 -5.3 -68.1 -31.5 -8.3 61.8 6.0 29 53 A D T <45S- 0 0 90 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.1 0.314 95.5-113.6-144.2 5.5 -8.6 65.6 6.3 30 54 A N T <5 + 0 0 90 -4,-2.0 -3,-0.2 1,-0.2 2,-0.1 0.547 65.5 147.3 67.2 11.8 -5.1 66.9 5.5 31 55 A T E < -B 26 0A 71 -5,-0.6 -5,-2.7 -6,-0.1 2,-0.3 -0.358 34.3-146.2 -75.9 158.8 -4.6 68.2 9.1 32 56 A Q E -B 25 0A 81 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.938 13.0-160.8-129.4 147.9 -1.2 68.2 10.7 33 57 A V E -B 24 0A 39 -9,-1.6 -9,-2.5 -2,-0.3 2,-0.4 -0.998 22.2-178.5-126.2 123.7 0.1 67.7 14.2 34 59 A L E -B 23 0A 29 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.943 21.9-173.9-127.9 148.0 3.6 69.1 14.9 35 60 A Y E S-B 22 0A 30 -13,-2.6 -13,-2.8 -2,-0.4 -2,-0.0 -0.961 91.8 -15.6-137.1 116.7 6.0 69.2 17.8 36 61 A R S > S+ 0 0 88 -2,-0.4 3,-1.6 -15,-0.2 123,-0.1 0.880 90.5 163.7 52.2 38.5 9.1 71.3 17.1 37 62 A G T 3 + 0 0 5 1,-0.3 122,-2.3 121,-0.1 123,-0.4 0.705 65.9 41.8 -61.4 -23.6 7.9 70.9 13.6 38 63 A D T 3 S+ 0 0 104 120,-0.1 2,-0.3 119,-0.1 -1,-0.3 0.229 90.0 103.1-110.3 13.7 10.1 73.7 12.3 39 64 A E S < S- 0 0 67 -3,-1.6 2,-0.3 1,-0.0 120,-0.1 -0.706 75.0-112.5 -91.5 149.8 13.3 73.0 14.2 40 65 A R - 0 0 93 -2,-0.3 117,-0.2 117,-0.2 110,-0.2 -0.589 34.3-179.2 -84.5 143.1 16.2 71.3 12.3 41 66 A F E -E 156 0B 1 115,-2.5 115,-1.6 -2,-0.3 2,-0.4 -0.962 37.6-100.3-136.2 150.9 17.3 67.8 13.1 42 67 A P E -E 155 0B 12 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.623 30.3-154.7 -72.8 127.5 20.1 65.6 11.6 43 68 A M > + 0 0 0 111,-2.3 3,-1.9 -2,-0.4 112,-0.1 0.826 21.7 174.7 -71.6 -36.2 18.4 63.2 9.1 44 69 A C G > S- 0 0 0 110,-0.6 3,-2.0 100,-0.5 -1,-0.1 -0.297 72.2 -9.9 55.2-141.5 21.0 60.5 9.2 45 70 A S G > S+ 0 0 4 167,-0.4 3,-1.6 1,-0.3 4,-0.3 0.541 120.0 80.8 -66.9 -5.8 19.7 57.5 7.1 46 71 A T G X S+ 0 0 0 -3,-1.9 3,-1.4 1,-0.3 4,-0.5 0.777 81.7 71.4 -67.5 -18.9 16.2 58.9 6.7 47 72 A S G <> S+ 0 0 0 -3,-2.0 4,-1.6 1,-0.3 3,-0.4 0.683 77.8 78.6 -66.0 -17.0 17.9 60.9 3.9 48 73 A K H <> S+ 0 0 0 -3,-1.6 4,-2.8 1,-0.2 -1,-0.3 0.785 83.1 62.6 -66.0 -24.6 18.2 57.7 1.9 49 74 A V H <> S+ 0 0 3 -3,-1.4 4,-2.5 -4,-0.3 -1,-0.2 0.930 103.6 47.8 -65.0 -42.5 14.6 58.0 0.9 50 75 A M H > S+ 0 0 2 -4,-0.5 4,-1.9 -3,-0.4 -2,-0.2 0.904 113.4 48.1 -64.5 -40.5 15.3 61.3 -0.9 51 76 A A H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.925 112.9 46.3 -67.1 -46.8 18.3 59.8 -2.7 52 77 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.910 113.1 51.0 -62.2 -39.5 16.4 56.6 -3.8 53 78 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.870 106.0 55.0 -64.7 -35.4 13.5 58.8 -5.0 54 79 A A H X S+ 0 0 3 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.884 109.7 46.5 -64.8 -38.6 15.9 61.0 -7.0 55 80 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.892 109.3 54.5 -71.1 -38.9 17.2 58.0 -8.8 56 81 A L H X S+ 0 0 1 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.909 106.9 52.4 -60.2 -39.2 13.6 56.7 -9.4 57 82 A K H >< S+ 0 0 69 -4,-2.3 3,-1.4 1,-0.2 4,-0.4 0.927 107.7 50.1 -63.0 -43.7 12.9 60.1 -10.9 58 83 A Q H >< S+ 0 0 61 -4,-1.9 3,-1.5 1,-0.3 4,-0.4 0.890 104.0 60.8 -60.7 -36.8 15.9 59.8 -13.3 59 84 A S H 3< S+ 0 0 12 -4,-2.2 3,-0.3 1,-0.3 -1,-0.3 0.651 85.3 76.8 -66.8 -12.7 14.6 56.3 -14.2 60 85 A E T << S+ 0 0 65 -3,-1.4 -1,-0.3 -4,-0.6 3,-0.2 0.800 106.3 32.9 -68.1 -25.9 11.3 57.8 -15.6 61 86 A T S < S+ 0 0 127 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 0.404 120.1 54.3-109.3 4.1 13.2 58.9 -18.7 62 87 A Q > - 0 0 93 -4,-0.4 3,-2.1 -3,-0.3 4,-0.4 -0.770 64.0-169.6-138.3 89.4 15.6 55.9 -18.7 63 88 A K T 3 S+ 0 0 183 -2,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.697 87.7 44.2 -50.9 -27.4 13.8 52.6 -18.7 64 89 A Q T > S+ 0 0 116 1,-0.1 3,-1.1 2,-0.1 4,-0.4 0.395 81.8 100.5-102.3 3.2 17.0 50.6 -18.1 65 90 A L G X S+ 0 0 2 -3,-2.1 3,-2.0 1,-0.3 29,-0.5 0.901 78.3 55.0 -55.8 -45.6 18.6 52.8 -15.4 66 91 A L G 3 S+ 0 0 33 -4,-0.4 29,-2.3 1,-0.3 30,-0.4 0.742 107.6 51.7 -63.8 -19.5 17.6 50.6 -12.5 67 92 A N G < S+ 0 0 99 -3,-1.1 -1,-0.3 27,-0.2 -2,-0.2 0.425 82.7 120.7 -93.9 1.1 19.3 47.6 -14.2 68 93 A Q < - 0 0 79 -3,-2.0 26,-1.1 -4,-0.4 2,-0.1 -0.481 63.6-127.1 -68.8 125.6 22.5 49.6 -14.7 69 94 A P E -F 93 0C 83 0, 0.0 2,-0.4 0, 0.0 24,-0.2 -0.465 20.9-164.4 -75.7 143.4 25.5 47.9 -13.0 70 95 A V E -F 92 0C 30 22,-2.2 22,-2.1 -2,-0.1 2,-0.1 -0.998 22.3-119.8-128.9 128.2 27.7 49.9 -10.6 71 96 A E E -F 91 0C 119 -2,-0.4 2,-0.5 20,-0.2 20,-0.2 -0.424 18.6-157.1 -70.1 137.4 31.1 48.6 -9.5 72 97 A I E -F 90 0C 0 18,-2.3 17,-2.6 15,-0.4 18,-0.7 -0.976 15.3-174.1-115.6 117.4 31.8 48.0 -5.8 73 98 A K >> - 0 0 87 -2,-0.5 3,-2.2 15,-0.2 4,-0.5 -0.749 39.5-107.8-109.9 158.3 35.5 48.1 -4.9 74 99 A P G >4 S+ 0 0 75 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.880 120.1 58.1 -50.8 -39.0 37.1 47.3 -1.6 75 100 A A G 34 S+ 0 0 94 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.674 94.5 67.2 -66.8 -16.1 37.8 51.0 -1.1 76 101 A D G <4 S+ 0 0 46 -3,-2.2 -1,-0.2 8,-0.1 2,-0.1 0.655 76.0 103.3 -78.3 -17.6 34.0 51.8 -1.4 77 102 A L << + 0 0 55 -3,-1.3 2,-0.1 -4,-0.5 4,-0.0 -0.449 47.4 173.1 -68.7 137.6 33.2 50.0 1.9 78 103 A V - 0 0 50 -2,-0.1 3,-0.2 64,-0.0 -1,-0.1 -0.036 52.3 -52.0-117.0-136.4 32.5 52.3 4.8 79 104 A N S S+ 0 0 107 1,-0.3 2,-0.3 -2,-0.1 -2,-0.1 0.728 123.2 22.8 -82.6 -22.8 31.2 51.7 8.3 80 105 A Y + 0 0 115 1,-0.0 27,-2.9 25,-0.0 28,-0.5 -0.842 62.6 143.4-149.9 108.0 28.1 49.6 7.6 81 106 A N > + 0 0 14 -2,-0.3 4,-2.0 25,-0.2 5,-0.2 -0.419 5.5 161.5-145.9 62.9 27.6 47.7 4.4 82 107 A P T 4 S+ 0 0 35 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.801 85.6 28.9 -55.0 -32.9 25.7 44.4 5.0 83 108 A I T >4 S+ 0 0 30 2,-0.1 3,-1.5 17,-0.1 4,-0.4 0.888 116.3 54.9 -96.2 -48.9 24.8 44.0 1.4 84 109 A A G >4 S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.820 96.7 66.1 -57.4 -33.7 27.5 45.8 -0.5 85 110 A E G >< S+ 0 0 115 -4,-2.0 3,-0.9 1,-0.3 -1,-0.3 0.791 94.5 59.9 -61.5 -25.6 30.3 43.7 1.1 86 111 A K G < S+ 0 0 151 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.658 108.1 46.0 -74.0 -14.2 28.9 40.6 -0.7 87 112 A H G X S+ 0 0 51 -3,-2.0 3,-2.1 -4,-0.4 -15,-0.4 0.224 75.3 141.5-112.6 10.9 29.5 42.3 -4.0 88 113 A V T < S+ 0 0 37 -3,-0.9 -15,-0.2 1,-0.3 3,-0.1 -0.312 79.0 15.7 -58.4 139.3 33.1 43.7 -3.6 89 114 A N T 3 S+ 0 0 114 -17,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.622 127.0 71.0 66.8 16.6 35.1 43.4 -6.8 90 115 A G E < S-F 72 0C 29 -3,-2.1 -18,-2.3 -18,-0.7 -1,-0.3 -0.423 84.6 -99.7-132.3-151.8 31.7 42.8 -8.5 91 116 A T E -F 71 0C 66 -20,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.931 14.3-156.8-141.1 161.9 28.7 45.0 -9.3 92 117 A M E -F 70 0C 1 -22,-2.1 -22,-2.2 -2,-0.3 2,-0.1 -0.985 25.7-123.6-135.2 141.4 25.2 46.0 -8.0 93 118 A T E > -F 69 0C 33 -2,-0.3 4,-2.4 -24,-0.2 5,-0.2 -0.407 29.7-108.1 -80.0 165.8 22.5 47.4 -10.1 94 119 A L H > S+ 0 0 0 -26,-1.1 4,-2.3 -29,-0.5 -27,-0.2 0.839 122.8 53.1 -63.5 -29.6 20.9 50.7 -9.2 95 120 A A H > S+ 0 0 25 -29,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.933 109.9 47.9 -69.2 -42.7 17.7 48.9 -8.1 96 121 A E H > S+ 0 0 87 -30,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.874 112.4 49.2 -63.5 -37.6 19.9 46.6 -5.9 97 122 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.903 111.6 48.9 -70.1 -38.6 21.6 49.6 -4.4 98 123 A S H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.939 112.7 47.0 -65.9 -46.0 18.3 51.4 -3.8 99 124 A A H X S+ 0 0 22 -4,-2.8 4,-2.8 1,-0.2 5,-0.4 0.914 114.4 47.5 -62.4 -41.4 16.8 48.3 -2.1 100 125 A A H X S+ 0 0 4 -4,-2.3 6,-2.0 -5,-0.2 4,-1.6 0.917 112.9 48.2 -66.4 -42.7 20.0 47.8 0.0 101 126 A A H < S+ 0 0 0 -4,-2.6 4,-0.4 4,-0.3 -2,-0.2 0.912 120.9 36.1 -62.9 -44.8 20.1 51.4 1.1 102 127 A L H < S+ 0 0 1 -4,-2.6 108,-0.3 -5,-0.2 -2,-0.2 0.933 124.2 35.8 -77.1 -46.3 16.4 51.5 2.0 103 128 A Q H < S+ 0 0 35 -4,-2.8 87,-2.0 -5,-0.3 88,-0.3 0.708 135.7 19.1 -86.2 -20.5 15.7 48.1 3.5 104 129 A Y S < S- 0 0 94 -4,-1.6 -3,-0.2 -5,-0.4 -1,-0.2 0.382 97.1-122.8-125.1 -4.0 19.0 47.4 5.3 105 130 A S - 0 0 13 -5,-0.5 -4,-0.3 -4,-0.4 2,-0.2 0.854 40.2-175.2 60.4 37.9 20.4 51.0 5.5 106 131 A D > - 0 0 0 -6,-2.0 4,-1.4 1,-0.2 -25,-0.2 -0.480 14.9-158.7 -64.8 126.2 23.5 50.0 3.6 107 132 A N H > S+ 0 0 7 -27,-2.9 4,-2.3 -2,-0.2 34,-0.3 0.823 88.9 54.3 -79.8 -32.2 25.9 53.0 3.6 108 133 A T H > S+ 0 0 1 -28,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.912 108.5 52.0 -65.8 -40.5 28.0 52.0 0.6 109 134 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.925 107.7 51.7 -61.0 -43.5 24.7 51.6 -1.4 110 135 A M H X S+ 0 0 0 -4,-1.4 4,-2.8 1,-0.2 5,-0.2 0.931 106.0 54.5 -59.7 -43.5 23.7 55.1 -0.3 111 136 A N H X S+ 0 0 34 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.851 106.3 51.8 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128.6 19.8 69.7 2.6 137 162 A L + 0 0 3 -2,-0.3 -13,-0.3 -17,-0.2 -14,-0.1 -0.986 17.0 162.3-115.0 125.3 22.3 66.9 2.0 138 163 A D + 0 0 62 -2,-0.5 2,-0.3 1,-0.1 -17,-0.2 0.605 55.5 33.3-116.5 -20.4 25.9 68.1 2.3 139 164 A R - 0 0 34 -19,-0.1 2,-0.1 -20,-0.1 -1,-0.1 -0.843 68.9-117.9-137.2 169.5 28.1 65.0 2.8 140 165 A T > - 0 0 63 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.293 58.3 -35.2 -94.0-175.9 28.4 61.4 1.9 141 166 A E T 4 S+ 0 0 5 -34,-0.3 -1,-0.1 1,-0.3 -34,-0.0 -0.677 116.9 11.9 -83.4 144.2 28.3 58.3 4.2 142 167 A P T >4 S+ 0 0 51 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 -0.999 122.5 54.5 -95.1 -3.7 29.3 58.0 6.9 143 168 A T G >4 S+ 0 0 66 1,-0.3 3,-1.8 2,-0.2 -2,-0.2 0.707 89.9 75.8 -64.4 -19.8 30.1 61.6 7.9 144 169 A L G 3< S+ 0 0 2 -4,-1.9 -100,-0.5 1,-0.3 3,-0.3 0.626 91.9 60.9 -66.4 -5.9 26.6 62.8 7.1 145 170 A N G < + 0 0 15 -3,-1.8 69,-2.1 -5,-0.2 -1,-0.3 0.220 64.7 107.4-103.1 13.1 25.6 61.1 10.4 146 171 A T < - 0 0 35 -3,-1.8 -1,-0.2 67,-0.2 -2,-0.1 0.835 58.4-167.8 -60.4 -30.7 27.8 63.1 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69.0 7.6 157 182 A T > - 0 0 10 -2,-0.3 4,-2.4 -117,-0.2 5,-0.2 -0.803 26.9-118.3-110.3 157.5 12.6 69.8 9.7 158 183 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.919 114.5 53.7 -60.5 -39.6 9.9 67.4 10.6 159 184 A R H > S+ 0 0 97 -122,-2.3 4,-2.1 1,-0.2 5,-0.2 0.944 111.0 44.8 -59.7 -48.8 7.3 69.5 8.8 160 185 A A H > S+ 0 0 12 -123,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.913 113.4 48.9 -65.1 -41.6 9.3 69.5 5.6 161 186 A M H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.862 110.4 51.0 -69.0 -32.1 10.1 65.8 5.6 162 187 A A H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.930 111.2 48.2 -69.3 -41.6 6.5 64.8 6.3 163 188 A Q H X S+ 0 0 74 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.935 114.3 46.7 -62.7 -44.1 5.3 66.9 3.4 164 189 A T H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.922 110.0 51.4 -65.7 -44.2 8.0 65.4 1.1 165 190 A L H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.898 110.6 50.7 -61.8 -37.5 7.3 61.8 2.2 166 191 A R H X>S+ 0 0 57 -4,-2.2 4,-2.8 1,-0.2 5,-2.0 0.963 110.7 47.9 -62.6 -49.8 3.6 62.4 1.4 167 192 A Q H 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