==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-NOV-00 1G6A . COMPND 2 MOLECULE: BETA-LACTAMASE PSE-4; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.LIM,F.SANSCHAGRIN,L.PASSMORE,L.DE CASTRO,R.C.LEVESQUE, . 266 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 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 . 43 16.2 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 . 1 0.4 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 . 32 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.6 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 1 2 1 3 0 0 0 0 0 0 1 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 . 1 1 1 0 1 0 0 3 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 . 1 1 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 24 A S > 0 0 140 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -9.7 9.5 42.6 28.3 2 25 A K T 3 + 0 0 98 1,-0.3 3,-0.3 2,-0.1 4,-0.1 0.872 360.0 36.5 -55.5 -38.8 13.1 41.7 27.2 3 26 A F T 3> S+ 0 0 16 1,-0.2 4,-2.7 2,-0.1 -1,-0.3 0.110 84.8 117.1-101.4 21.3 13.4 45.1 25.6 4 27 A Q H <> S+ 0 0 112 -3,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.915 75.6 46.7 -56.2 -48.9 11.4 46.9 28.3 5 28 A Q H > S+ 0 0 97 -4,-0.4 4,-2.3 -3,-0.3 -1,-0.2 0.857 111.4 52.6 -63.5 -35.8 14.3 49.1 29.5 6 29 A V H > S+ 0 0 0 2,-0.2 4,-2.6 253,-0.2 -1,-0.2 0.953 109.9 48.4 -64.3 -46.5 15.1 50.0 25.9 7 30 A E H X S+ 0 0 65 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.904 111.1 50.6 -60.5 -42.1 11.5 51.0 25.3 8 31 A Q H X S+ 0 0 91 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.896 110.4 49.4 -63.1 -40.2 11.5 53.1 28.5 9 32 A D H X S+ 0 0 37 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.914 111.2 49.1 -65.0 -41.8 14.8 54.8 27.5 10 33 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.912 110.6 50.8 -63.2 -42.6 13.4 55.6 24.0 11 34 A K H X S+ 0 0 95 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.853 109.1 51.3 -62.8 -37.5 10.1 57.0 25.6 12 35 A A H X S+ 0 0 58 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.905 112.0 46.3 -66.7 -40.6 12.1 59.2 27.9 13 36 A I H X S+ 0 0 11 -4,-2.0 4,-2.9 2,-0.2 6,-0.4 0.892 107.2 57.9 -67.2 -41.9 14.2 60.7 25.0 14 37 A E H <>S+ 0 0 54 -4,-2.4 5,-0.8 -5,-0.2 4,-0.3 0.899 113.9 39.9 -54.0 -43.1 11.0 61.2 22.9 15 38 A V H ><5S+ 0 0 114 -4,-1.6 3,-1.0 3,-0.2 -2,-0.2 0.966 117.5 45.2 -73.3 -53.5 9.7 63.4 25.7 16 39 A S H 3<5S+ 0 0 81 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.843 122.7 36.0 -63.4 -34.8 12.9 65.2 26.7 17 40 A L T 3<5S- 0 0 17 -4,-2.9 226,-0.4 -5,-0.2 227,-0.4 0.364 97.1-135.8 -99.6 5.0 13.9 66.0 23.1 18 41 A S T < 5 + 0 0 102 -3,-1.0 2,-0.2 -4,-0.3 -3,-0.2 0.846 60.3 142.6 43.1 42.9 10.3 66.5 21.9 19 42 A A < - 0 0 11 -5,-0.8 2,-0.5 -6,-0.4 222,-0.2 -0.569 64.2-114.5-113.5 167.4 11.4 64.4 18.9 20 43 A R E +A 240 0A 61 220,-2.3 220,-2.3 -2,-0.2 2,-0.4 -0.893 46.5 175.9 -95.4 127.8 10.3 61.8 16.5 21 44 A I E -A 239 0A 0 -2,-0.5 2,-0.3 218,-0.2 218,-0.2 -1.000 13.0-178.2-140.7 140.4 12.4 58.7 17.2 22 45 A G E -A 238 0A 0 216,-2.6 216,-2.8 -2,-0.4 2,-0.3 -0.991 1.2-174.9-139.7 147.3 12.4 55.2 15.9 23 46 A V E -AB 237 36A 0 13,-2.6 13,-2.1 -2,-0.3 2,-0.3 -0.993 5.5-175.8-142.2 146.0 14.5 52.1 16.6 24 47 A S E -AB 236 35A 2 212,-2.1 212,-2.6 -2,-0.3 2,-0.4 -0.992 3.3-171.6-141.3 135.3 14.7 48.6 15.2 25 48 A V E -AB 235 34A 0 9,-2.9 9,-2.1 -2,-0.3 2,-0.5 -0.999 2.7-170.9-128.9 129.5 16.9 45.7 16.5 26 49 A L E -AB 234 33A 31 208,-2.6 208,-2.7 -2,-0.4 2,-0.8 -0.983 7.8-159.3-123.2 122.8 17.3 42.4 14.6 27 50 A D E >>> -AB 233 32A 3 5,-3.2 4,-1.2 -2,-0.5 5,-0.6 -0.852 5.0-172.3-104.9 103.6 19.0 39.4 16.2 28 51 A T T 345S+ 0 0 51 204,-2.1 -1,-0.1 -2,-0.8 205,-0.1 0.709 77.6 69.2 -68.6 -17.5 20.2 37.1 13.5 29 52 A Q T 345S+ 0 0 107 203,-0.4 -1,-0.2 202,-0.2 204,-0.1 0.908 122.0 8.1 -68.5 -38.7 21.2 34.4 16.0 30 53 A N T <45S- 0 0 72 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.253 99.5-110.6-128.0 13.2 17.6 33.5 17.0 31 54 A G T <5 + 0 0 52 -4,-1.2 -3,-0.2 1,-0.2 2,-0.2 0.588 66.8 147.6 68.6 9.9 15.4 35.5 14.5 32 55 A E E < -B 27 0A 75 -5,-0.6 -5,-3.2 -6,-0.0 2,-0.3 -0.502 21.8-179.8 -78.8 149.3 14.1 37.8 17.3 33 56 A Y E -B 26 0A 185 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.992 9.5-178.5-147.8 151.1 13.3 41.4 16.4 34 57 A W E +B 25 0A 37 -9,-2.1 -9,-2.9 -2,-0.3 2,-0.3 -0.989 6.6 173.6-148.1 147.7 12.0 44.5 18.3 35 59 A D E -B 24 0A 53 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.990 23.9-156.4-153.4 161.5 11.1 48.1 17.3 36 60 A Y E S-B 23 0A 41 -13,-2.1 -13,-2.6 -2,-0.3 4,-0.1 -0.969 96.4 -10.6-138.0 118.1 9.6 51.3 18.5 37 61 A N S > S+ 0 0 55 -2,-0.4 3,-1.5 -15,-0.2 123,-0.1 0.832 88.5 156.6 56.6 32.7 8.2 53.5 15.7 38 62 A G T 3 + 0 0 0 1,-0.3 122,-2.1 -15,-0.1 123,-0.4 0.680 67.7 46.6 -63.6 -19.2 9.9 51.0 13.4 39 63 A N T 3 S+ 0 0 107 120,-0.1 -1,-0.3 119,-0.1 2,-0.1 0.358 89.2 108.6-102.6 1.9 7.6 51.8 10.5 40 64 A Q S < S- 0 0 93 -3,-1.5 2,-0.4 1,-0.1 120,-0.1 -0.474 72.8-111.6 -77.3 152.3 7.8 55.6 10.8 41 65 A R + 0 0 62 117,-0.2 117,-0.2 -2,-0.1 110,-0.2 -0.701 38.3 170.0 -91.1 136.9 9.8 57.6 8.2 42 66 A F E -E 157 0B 1 115,-2.3 115,-2.1 -2,-0.4 2,-0.1 -0.953 41.3 -90.7-138.9 156.6 13.0 59.3 8.9 43 67 A P E -E 156 0B 11 0, 0.0 113,-0.3 0, 0.0 196,-0.1 -0.452 26.2-149.0 -67.6 135.7 15.7 61.1 6.8 44 68 A L > + 0 0 1 111,-2.7 3,-2.0 93,-0.2 112,-0.1 0.913 32.3 165.5 -66.9 -42.4 18.5 58.7 5.7 45 69 A T G > S- 0 0 0 110,-0.5 3,-1.7 100,-0.4 4,-0.2 -0.280 74.2 -12.8 47.6-141.0 21.1 61.4 5.7 46 70 A S G > S+ 0 0 11 167,-0.3 3,-1.8 1,-0.3 4,-0.4 0.620 120.0 84.3 -63.2 -11.3 24.6 59.7 5.5 47 71 A T G < S+ 0 0 1 -3,-2.0 3,-0.5 1,-0.3 4,-0.4 0.686 79.7 68.8 -66.2 -12.2 23.2 56.2 6.3 48 72 A F G X> S+ 0 0 0 -3,-1.7 4,-1.8 1,-0.2 3,-1.0 0.772 79.4 79.4 -72.9 -22.8 22.4 55.9 2.6 49 73 A K H <> S+ 0 0 1 -3,-1.8 4,-2.3 1,-0.3 5,-0.3 0.862 86.1 57.3 -54.7 -38.2 26.2 55.8 1.8 50 74 A T H 3> S+ 0 0 5 -3,-0.5 4,-2.0 -4,-0.4 -1,-0.3 0.867 107.1 49.3 -58.5 -39.3 26.3 52.1 2.8 51 75 A I H <> S+ 0 0 2 -3,-1.0 4,-2.2 -4,-0.4 -1,-0.2 0.891 109.4 50.9 -69.5 -40.3 23.6 51.3 0.2 52 76 A A H X S+ 0 0 2 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.909 113.9 44.0 -66.7 -40.5 25.4 53.2 -2.6 53 77 A a H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.858 109.9 55.4 -73.6 -32.5 28.7 51.4 -1.9 54 78 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.923 108.9 49.9 -62.0 -40.5 26.9 48.1 -1.7 55 79 A K H X S+ 0 0 11 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.869 104.1 57.3 -66.6 -35.6 25.5 48.8 -5.1 56 80 A L H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.945 111.3 43.2 -58.8 -44.8 29.0 49.7 -6.5 57 81 A L H X S+ 0 0 3 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.894 114.9 49.1 -67.3 -39.4 30.1 46.2 -5.5 58 82 A Y H X S+ 0 0 61 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.918 113.0 46.8 -65.8 -43.9 27.0 44.5 -6.8 59 83 A D H <>S+ 0 0 5 -4,-3.2 5,-2.5 1,-0.2 6,-0.8 0.827 109.4 55.4 -67.6 -31.2 27.3 46.4 -10.1 60 84 A A H ><5S+ 0 0 27 -4,-1.8 3,-1.1 -5,-0.3 -1,-0.2 0.906 104.5 53.2 -68.0 -40.8 31.0 45.4 -10.3 61 85 A E H 3<5S+ 0 0 81 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.840 109.1 49.3 -61.5 -35.3 30.1 41.7 -9.9 62 86 A Q T 3<5S- 0 0 101 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.511 115.9-116.4 -81.5 -6.4 27.6 42.0 -12.8 63 87 A G T < 5S+ 0 0 63 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.643 79.7 126.3 80.1 14.4 30.3 43.7 -14.9 64 88 A K S - 0 0 88 -2,-0.3 3,-2.1 1,-0.1 29,-0.3 -0.890 14.6-158.0-101.4 112.6 34.9 48.6 -13.0 67 91 A P T 3 S+ 0 0 27 0, 0.0 29,-2.6 0, 0.0 28,-0.3 0.691 94.5 57.1 -63.6 -16.7 35.5 49.6 -9.3 68 92 A N T 3 S+ 0 0 113 27,-0.2 2,-0.1 26,-0.2 -2,-0.0 0.449 81.9 108.5 -93.0 -1.8 39.2 50.2 -10.2 69 93 A S < - 0 0 42 -3,-2.1 26,-1.9 25,-0.1 2,-0.3 -0.448 67.6-128.0 -71.9 151.3 38.2 52.7 -12.9 70 94 A T E -G 94 0C 82 24,-0.2 2,-0.4 -2,-0.1 24,-0.3 -0.679 12.8-151.8-103.3 158.1 39.1 56.3 -12.0 71 95 A V E -G 93 0C 45 22,-2.5 22,-2.5 -2,-0.3 2,-0.2 -0.992 24.0-117.3-128.8 134.1 37.0 59.5 -12.0 72 96 A E E -G 92 0C 103 -2,-0.4 2,-0.7 20,-0.2 20,-0.2 -0.501 22.6-140.9 -72.3 133.1 38.4 62.9 -12.5 73 97 A I - 0 0 1 18,-2.8 17,-3.0 15,-0.3 2,-0.4 -0.870 20.3-171.8 -99.6 116.1 38.0 65.3 -9.6 74 98 A K >> - 0 0 135 -2,-0.7 3,-2.4 15,-0.2 4,-0.5 -0.848 32.7-122.7-107.9 144.0 37.2 68.8 -10.6 75 99 A K G >4 S+ 0 0 166 -2,-0.4 3,-1.0 1,-0.3 -1,-0.1 0.817 111.6 61.0 -52.1 -33.5 37.0 71.8 -8.2 76 100 A A G 34 S+ 0 0 98 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.674 94.8 62.6 -70.3 -16.6 33.4 72.4 -9.3 77 101 A D G <4 S+ 0 0 69 -3,-2.4 -1,-0.2 2,-0.0 -2,-0.2 0.682 78.1 113.8 -81.0 -17.9 32.4 69.0 -8.1 78 102 A L << + 0 0 59 -3,-1.0 2,-0.3 -4,-0.5 3,-0.0 -0.290 42.0 179.5 -62.3 133.1 33.3 69.8 -4.4 79 103 A V - 0 0 36 1,-0.1 30,-0.3 -2,-0.0 29,-0.2 -0.835 43.1 -56.0-126.8 168.0 30.5 70.0 -1.9 80 104 A T S S+ 0 0 111 -2,-0.3 28,-0.3 1,-0.1 -1,-0.1 -0.089 114.4 12.2 -49.0 134.5 30.4 70.7 1.8 81 105 A Y S S+ 0 0 123 1,-0.1 27,-2.6 26,-0.1 28,-0.2 0.997 70.8 146.1 57.4 81.3 32.6 68.4 4.0 82 106 A S > + 0 0 3 25,-0.3 4,-2.9 26,-0.2 5,-0.2 -0.544 9.8 164.8-140.2 65.7 34.8 66.5 1.6 83 107 A P T 4 S+ 0 0 38 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.832 78.3 39.6 -55.8 -37.6 38.1 66.0 3.5 84 108 A V T >4 S+ 0 0 41 2,-0.1 3,-1.1 1,-0.1 4,-0.2 0.955 120.4 41.1 -79.9 -50.3 39.5 63.3 1.3 85 109 A I G >4 S+ 0 0 0 1,-0.2 3,-2.2 2,-0.2 -1,-0.1 0.834 102.9 68.0 -68.5 -32.1 38.4 64.7 -2.1 86 110 A E G 3< S+ 0 0 120 -4,-2.9 3,-0.4 1,-0.3 -1,-0.2 0.734 100.3 52.1 -61.0 -19.4 39.2 68.3 -1.3 87 111 A K G < S+ 0 0 169 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.430 106.0 55.3 -94.2 -0.4 42.9 67.2 -1.3 88 112 A Q X + 0 0 46 -3,-2.2 3,-2.0 -4,-0.2 -15,-0.3 0.020 66.7 149.0-123.2 28.6 42.7 65.6 -4.7 89 113 A V T 3 S+ 0 0 57 -3,-0.4 -15,-0.2 1,-0.3 3,-0.1 -0.372 75.2 20.3 -63.2 139.2 41.4 68.3 -7.0 90 114 A G T 3 S+ 0 0 58 -17,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.507 111.7 99.1 79.6 2.0 42.8 67.9 -10.5 91 115 A Q S < S- 0 0 104 -3,-2.0 -18,-2.8 -18,-0.3 2,-0.4 -0.672 73.3-114.5-115.8 171.9 43.5 64.2 -9.8 92 116 A A E -G 72 0C 44 -20,-0.2 2,-0.4 -2,-0.2 -20,-0.2 -0.896 24.8-166.5-110.4 136.8 41.8 61.0 -10.5 93 117 A I E -G 71 0C 6 -22,-2.5 -22,-2.5 -2,-0.4 2,-0.1 -0.951 21.4-120.6-122.7 141.2 40.3 58.7 -7.8 94 118 A T E > -G 70 0C 26 -2,-0.4 4,-2.0 -24,-0.3 -24,-0.2 -0.434 23.1-120.7 -75.1 155.2 39.2 55.1 -8.2 95 119 A L H > S+ 0 0 2 -26,-1.9 4,-2.5 -29,-0.3 5,-0.2 0.905 115.3 55.2 -62.4 -39.1 35.6 54.3 -7.4 96 120 A D H > S+ 0 0 27 -29,-2.6 4,-2.4 -27,-0.2 -1,-0.2 0.933 109.2 45.9 -60.5 -43.8 36.8 51.8 -4.8 97 121 A D H > S+ 0 0 85 -30,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.820 108.9 56.2 -69.2 -28.1 38.8 54.5 -3.1 98 122 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.908 108.7 47.7 -68.1 -39.2 35.8 56.9 -3.3 99 123 A a H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.926 110.0 51.9 -67.4 -40.7 33.8 54.3 -1.4 100 124 A F H X S+ 0 0 98 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.939 112.0 48.0 -58.8 -43.3 36.6 53.9 1.1 101 125 A A H X>S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 6,-0.9 0.953 115.4 41.6 -62.4 -49.4 36.5 57.7 1.6 102 126 A T H X5S+ 0 0 1 -4,-2.7 4,-0.7 4,-0.2 -1,-0.2 0.840 116.2 48.8 -72.7 -29.2 32.8 58.1 2.0 103 127 A M H <5S+ 0 0 1 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.864 119.9 35.8 -77.3 -33.9 32.4 55.0 4.2 104 128 A T H <5S+ 0 0 4 -4,-2.2 87,-2.6 -5,-0.3 88,-0.4 0.749 138.2 13.9 -92.9 -23.2 35.2 55.9 6.6 105 129 A T H <5S- 0 0 25 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.460 92.8-122.8-124.4 -9.9 34.9 59.7 6.7 106 130 A S << - 0 0 14 -4,-0.7 -4,-0.2 -5,-0.7 -3,-0.1 0.623 39.6-175.0 73.5 14.0 31.5 60.4 5.1 107 131 A D > - 0 0 0 -6,-0.9 4,-1.3 1,-0.2 -25,-0.3 -0.148 14.9-151.4 -41.9 122.1 33.1 62.6 2.5 108 132 A N H > S+ 0 0 18 -27,-2.6 4,-1.9 -28,-0.3 34,-0.3 0.813 89.8 51.5 -76.4 -32.3 30.2 64.0 0.6 109 133 A T H > S+ 0 0 2 -30,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.896 108.3 54.3 -70.2 -38.1 31.8 64.6 -2.8 110 134 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.902 107.4 51.3 -59.1 -40.8 33.1 61.0 -2.7 111 135 A A H X S+ 0 0 2 -4,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.904 108.4 50.6 -64.3 -40.7 29.4 59.9 -2.1 112 136 A N H X S+ 0 0 23 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.871 107.5 54.5 -66.3 -32.9 28.3 62.0 -5.1 113 137 A I H X S+ 0 0 12 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.926 110.1 46.0 -64.1 -43.7 31.0 60.3 -7.2 114 138 A I H >X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 3,-0.8 0.934 110.7 53.0 -63.9 -45.2 29.7 56.9 -6.2 115 139 A L H ><>S+ 0 0 2 -4,-2.6 5,-3.2 1,-0.3 3,-0.6 0.903 106.5 53.1 -57.0 -42.8 26.1 57.9 -6.9 116 140 A S H 3<5S+ 0 0 89 -4,-2.3 3,-0.4 1,-0.2 -1,-0.3 0.778 110.7 48.3 -65.2 -24.2 27.1 59.1 -10.4 117 141 A A H <<5S+ 0 0 29 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.642 111.8 47.3 -91.2 -14.9 28.7 55.7 -11.1 118 142 A V T <<5S- 0 0 2 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.067 127.1 -81.9-115.0 25.6 25.7 53.5 -9.9 119 143 A G T >5 - 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