==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-SEP-02 1IYO . COMPND 2 MOLECULE: TOHO-1 BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.SHIMAMURA,A.IBUKA,S.FUSHINOBU,T.WAKAGI,M.ISHIGURO,Y.ISHII, . 260 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11154.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 72.3 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 15.8 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 . 8 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 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 2 4 0 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 28 A S > 0 0 88 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 166.1 26.3 -59.7 55.7 2 29 A V H > + 0 0 45 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.915 360.0 51.1 -58.6 -45.2 23.4 -57.3 55.5 3 30 A Q H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 111.3 47.1 -60.1 -42.7 21.4 -59.7 53.4 4 31 A Q H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.847 111.0 53.4 -68.6 -33.2 21.9 -62.5 55.8 5 32 A Q H X S+ 0 0 96 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.918 109.8 46.3 -67.0 -44.3 21.0 -60.2 58.7 6 33 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.899 112.1 51.4 -65.1 -40.2 17.7 -59.3 57.0 7 34 A E H X S+ 0 0 97 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.908 111.0 48.3 -63.0 -41.2 17.0 -62.9 56.2 8 35 A A H X S+ 0 0 59 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.894 110.9 51.3 -65.4 -40.2 17.6 -63.8 59.9 9 36 A L H X S+ 0 0 26 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.927 112.2 46.0 -62.7 -46.0 15.4 -61.0 61.0 10 37 A E H X>S+ 0 0 21 -4,-2.6 4,-0.9 1,-0.2 5,-0.8 0.905 106.8 58.7 -63.4 -43.9 12.6 -62.2 58.8 11 38 A K H <5S+ 0 0 178 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.872 113.9 36.4 -55.4 -41.3 12.9 -65.8 59.8 12 39 A S H <5S+ 0 0 98 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.666 104.4 73.5 -87.9 -15.2 12.3 -65.1 63.5 13 40 A S H <5S- 0 0 7 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.728 93.5-132.8 -70.7 -25.3 9.7 -62.3 62.8 14 41 A G T <5S+ 0 0 48 -4,-0.9 2,-0.2 1,-0.3 -3,-0.1 0.751 75.0 72.8 77.0 22.1 7.0 -64.7 61.8 15 42 A G S >> -AB 229 28A 15 5,-2.7 4,-1.8 -2,-0.5 3,-1.3 -0.841 4.5-162.3 -93.4 105.5 21.8 -44.4 49.0 24 51 A T T 345S+ 0 0 34 204,-1.8 -1,-0.1 -2,-0.9 205,-0.1 0.462 79.0 80.6 -70.5 2.1 21.7 -41.2 46.9 25 52 A A T 345S- 0 0 66 203,-0.2 -1,-0.3 202,-0.2 204,-0.1 0.876 126.0 -7.8 -73.1 -36.5 25.4 -40.8 47.4 26 53 A D T <45S- 0 0 105 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.1 0.192 95.6-111.1-142.9 11.7 26.0 -43.3 44.6 27 54 A N T <5 + 0 0 101 -4,-1.8 -3,-0.2 1,-0.2 2,-0.0 0.671 66.2 152.3 61.1 18.2 22.5 -44.6 43.9 28 55 A S E < -B 23 0A 51 -5,-0.7 -5,-2.7 -6,-0.1 2,-0.3 -0.351 29.0-151.1 -71.7 160.9 23.5 -48.0 45.3 29 56 A Q E -B 22 0A 83 -7,-0.2 2,-0.5 -3,-0.1 -7,-0.2 -0.972 21.4-149.7-140.8 153.9 20.7 -50.0 46.9 30 57 A I E -B 21 0A 33 -9,-1.8 -9,-2.2 -2,-0.3 2,-0.4 -0.985 30.8-174.1-120.5 114.8 20.0 -52.6 49.6 31 59 A L E +B 20 0A 57 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.919 20.6 171.8-120.1 139.5 17.1 -54.8 48.5 32 60 A Y E S-B 19 0A 19 -13,-2.5 -13,-2.9 -2,-0.4 -2,-0.0 -0.884 86.5 -25.0-144.5 107.6 15.1 -57.6 50.3 33 61 A R S > S+ 0 0 99 -2,-0.3 3,-1.5 -15,-0.2 123,-0.1 0.823 90.0 153.6 55.6 31.2 12.0 -58.9 48.6 34 62 A A T 3 + 0 0 6 1,-0.3 122,-2.2 -15,-0.2 123,-0.5 0.611 64.6 50.4 -66.8 -15.4 12.0 -55.4 47.0 35 63 A D T 3 S+ 0 0 128 120,-0.1 2,-0.3 119,-0.1 -1,-0.3 0.298 89.7 100.7-105.7 7.2 10.2 -56.6 43.9 36 64 A E S < S- 0 0 64 -3,-1.5 2,-0.2 1,-0.0 120,-0.1 -0.697 77.1-113.1 -92.9 146.0 7.4 -58.3 45.8 37 65 A R + 0 0 97 -2,-0.3 2,-0.3 117,-0.2 117,-0.2 -0.571 35.6 178.6 -80.9 140.5 4.0 -56.6 46.2 38 66 A F E -E 153 0B 4 115,-2.6 115,-1.6 -2,-0.2 2,-0.4 -0.979 39.1-100.8-136.6 148.3 2.9 -55.5 49.7 39 67 A A E -E 152 0B 16 -2,-0.3 113,-0.3 113,-0.2 112,-0.1 -0.578 29.7-154.7 -69.9 123.7 -0.3 -53.7 50.8 40 68 A M > + 0 0 0 111,-2.1 3,-1.9 -2,-0.4 -1,-0.2 0.809 22.2 178.8 -69.4 -31.4 0.8 -50.1 51.3 41 69 A C G > - 0 0 0 110,-0.6 3,-2.0 100,-0.6 -1,-0.2 -0.312 69.8 -10.1 57.1-143.2 -1.9 -49.3 53.8 42 70 A S G > S+ 0 0 9 167,-0.3 3,-1.9 1,-0.3 -1,-0.3 0.586 120.5 81.7 -62.0 -11.6 -1.6 -45.6 54.9 43 71 A T G X S+ 0 0 0 -3,-1.9 3,-1.2 1,-0.3 4,-0.4 0.740 79.0 72.9 -66.9 -15.4 1.8 -45.1 53.3 44 72 A S G X> S+ 0 0 1 -3,-2.0 4,-1.3 1,-0.2 3,-0.8 0.668 75.5 79.9 -68.8 -17.1 -0.3 -44.6 50.1 45 73 A K H <> S+ 0 0 2 -3,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.789 80.5 66.1 -62.2 -27.0 -1.4 -41.2 51.6 46 74 A V H <> S+ 0 0 3 -3,-1.2 4,-2.4 -4,-0.3 -1,-0.2 0.902 102.4 47.3 -61.2 -39.3 2.0 -39.7 50.4 47 75 A M H <> S+ 0 0 2 -3,-0.8 4,-1.9 -4,-0.4 -1,-0.2 0.867 111.9 49.3 -70.9 -37.1 0.9 -40.3 46.8 48 76 A A H X S+ 0 0 0 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.912 114.2 45.3 -68.4 -41.8 -2.6 -38.8 47.4 49 77 A A H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.917 112.8 50.5 -67.0 -42.7 -1.1 -35.7 49.0 50 78 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.851 104.6 59.1 -63.6 -34.2 1.6 -35.4 46.3 51 79 A A H X S+ 0 0 4 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.894 107.8 45.0 -62.1 -40.2 -1.2 -35.6 43.7 52 80 A V H X S+ 0 0 5 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.890 110.0 54.6 -71.3 -38.0 -2.8 -32.5 45.2 53 81 A L H X S+ 0 0 1 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.896 105.7 53.6 -61.8 -38.4 0.5 -30.7 45.4 54 82 A K H >< S+ 0 0 71 -4,-2.4 3,-0.9 1,-0.2 4,-0.4 0.913 108.6 49.0 -62.1 -42.0 1.1 -31.4 41.7 55 83 A Q H >< S+ 0 0 72 -4,-1.5 3,-1.9 1,-0.2 4,-0.5 0.903 102.5 62.0 -63.0 -40.6 -2.3 -29.8 41.0 56 84 A S H 3< S+ 0 0 9 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.684 88.2 73.2 -59.6 -19.3 -1.4 -26.8 43.1 57 85 A E T << S+ 0 0 71 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.824 110.2 28.9 -64.5 -31.0 1.4 -26.1 40.7 58 86 A S S < S+ 0 0 113 -3,-1.9 2,-0.3 -4,-0.4 -1,-0.2 0.305 120.7 56.8-111.5 5.6 -1.1 -24.9 38.2 59 87 A D > - 0 0 61 -4,-0.5 3,-1.5 -3,-0.3 4,-0.4 -0.810 60.3-172.0-139.6 93.7 -3.8 -23.6 40.6 60 88 A K T 3 S+ 0 0 174 -2,-0.3 4,-0.1 1,-0.3 -4,-0.1 0.572 86.8 50.4 -65.0 -9.5 -2.4 -21.0 43.1 61 89 A H T 3 S+ 0 0 128 2,-0.1 4,-0.4 1,-0.1 3,-0.3 0.472 85.9 90.9-105.9 -3.3 -5.7 -21.1 45.1 62 90 A L S X S+ 0 0 2 -3,-1.5 3,-1.7 1,-0.2 29,-0.5 0.928 79.8 52.1 -58.9 -54.8 -5.9 -24.8 45.5 63 91 A L T 3 S+ 0 0 35 -4,-0.4 29,-2.5 1,-0.3 30,-0.4 0.788 113.8 45.1 -57.4 -28.6 -4.0 -25.4 48.8 64 92 A N T 3 S+ 0 0 121 -3,-0.3 -1,-0.3 26,-0.2 -2,-0.2 0.454 82.6 123.8 -94.8 -0.7 -6.1 -22.8 50.6 65 93 A Q < - 0 0 88 -3,-1.7 26,-1.4 -4,-0.4 2,-0.2 -0.412 63.4-123.9 -62.1 128.9 -9.4 -24.0 49.2 66 94 A R E -F 90 0C 185 24,-0.2 2,-0.4 -2,-0.1 24,-0.2 -0.490 21.7-162.2 -79.1 145.4 -11.8 -24.8 52.1 67 95 A V E -F 89 0C 27 22,-1.8 22,-2.4 -2,-0.2 2,-0.3 -0.997 20.1-124.8-128.8 126.6 -13.4 -28.2 52.4 68 96 A E E -F 88 0C 134 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.562 18.2-150.4 -76.1 129.7 -16.4 -28.8 54.6 69 97 A I E -F 87 0C 1 18,-2.4 17,-2.4 15,-0.4 18,-0.5 -0.894 17.6-174.0-103.9 115.2 -16.0 -31.5 57.3 70 98 A K >> - 0 0 90 -2,-0.6 3,-2.0 15,-0.2 4,-0.5 -0.719 38.3-113.4-107.0 157.4 -19.3 -33.2 58.2 71 99 A K G >4 S+ 0 0 130 1,-0.3 3,-1.4 -2,-0.3 -1,-0.1 0.879 116.8 61.4 -54.7 -37.7 -20.0 -35.8 60.9 72 100 A S G 34 S+ 0 0 100 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.643 92.0 66.6 -65.0 -15.9 -20.6 -38.3 58.1 73 101 A D G <4 S+ 0 0 34 -3,-2.0 -1,-0.3 8,-0.1 -2,-0.2 0.719 77.8 103.6 -78.5 -21.2 -17.1 -37.9 56.8 74 102 A L << + 0 0 41 -3,-1.4 2,-0.1 -4,-0.5 4,-0.1 -0.381 45.5 167.6 -66.1 135.7 -15.6 -39.5 60.0 75 103 A V - 0 0 55 -2,-0.1 3,-0.2 2,-0.0 -1,-0.1 0.011 56.0 -45.9-118.3-133.2 -14.4 -43.1 59.7 76 104 A N S S+ 0 0 106 1,-0.3 2,-0.3 -2,-0.1 -2,-0.1 0.739 124.0 16.0 -80.9 -24.5 -12.3 -45.4 61.9 77 105 A Y + 0 0 120 1,-0.0 27,-2.3 2,-0.0 28,-0.6 -0.860 64.6 136.6-154.7 115.5 -9.5 -42.9 62.7 78 106 A N > + 0 0 10 -2,-0.3 4,-2.1 25,-0.2 5,-0.2 -0.361 8.0 164.4-160.4 69.0 -9.6 -39.1 62.3 79 107 A P T 4 S+ 0 0 28 0, 0.0 4,-0.3 0, 0.0 23,-0.1 0.735 84.8 38.3 -61.1 -26.6 -8.1 -37.2 65.3 80 108 A I T >4 S+ 0 0 27 2,-0.1 3,-0.9 17,-0.1 4,-0.4 0.895 114.4 49.1 -92.2 -49.8 -7.7 -34.0 63.3 81 109 A A G >4 S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 4,-0.1 0.866 104.1 61.6 -58.9 -38.1 -10.9 -34.0 61.1 82 110 A E G >< S+ 0 0 104 -4,-2.1 3,-1.1 1,-0.3 -1,-0.3 0.826 96.7 60.4 -58.7 -31.3 -13.1 -34.7 64.2 83 111 A K G < S+ 0 0 149 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.618 107.7 46.5 -70.9 -12.4 -11.9 -31.4 65.7 84 112 A H G X S+ 0 0 72 -3,-2.0 3,-2.2 -4,-0.4 -15,-0.4 0.168 72.6 144.0-119.0 19.3 -13.4 -29.6 62.7 85 113 A V T < S+ 0 0 23 -3,-1.1 -15,-0.2 1,-0.3 3,-0.1 -0.327 77.7 18.7 -59.1 140.0 -16.9 -31.1 62.3 86 114 A N T 3 S+ 0 0 157 -17,-2.4 -1,-0.3 1,-0.3 -16,-0.1 0.455 124.0 72.3 75.2 2.1 -19.4 -28.5 61.2 87 115 A G E < S-F 69 0C 30 -3,-2.2 -18,-2.4 -18,-0.5 -1,-0.3 -0.344 82.1 -97.5-123.6-154.8 -16.4 -26.4 60.0 88 116 A T E -F 68 0C 50 -20,-0.2 2,-0.4 -2,-0.1 -20,-0.2 -0.928 15.9-161.9-135.6 160.3 -13.8 -26.4 57.2 89 117 A M E -F 67 0C 3 -22,-2.4 -22,-1.8 -2,-0.3 2,-0.1 -0.995 25.3-124.6-137.7 136.9 -10.3 -27.5 56.5 90 118 A T E > -F 66 0C 22 -2,-0.4 4,-2.2 -24,-0.2 -24,-0.2 -0.379 29.7-108.9 -77.3 163.3 -8.2 -26.3 53.6 91 119 A L H > S+ 0 0 1 -26,-1.4 4,-2.4 -29,-0.5 -27,-0.2 0.893 121.9 53.4 -59.0 -38.4 -6.6 -28.8 51.3 92 120 A A H > S+ 0 0 19 -29,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.912 108.1 49.0 -62.9 -42.6 -3.2 -28.0 52.7 93 121 A E H > S+ 0 0 95 -30,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.865 111.1 50.7 -65.9 -33.4 -4.5 -28.7 56.2 94 122 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.876 109.2 51.1 -70.0 -37.6 -6.0 -32.0 55.0 95 123 A G H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.945 112.7 46.7 -62.8 -45.8 -2.6 -32.9 53.4 96 124 A A H X S+ 0 0 21 -4,-2.7 4,-3.2 2,-0.2 5,-0.4 0.934 114.0 46.1 -61.3 -49.5 -1.0 -32.1 56.8 97 125 A A H X S+ 0 0 3 -4,-2.8 6,-1.7 1,-0.2 4,-1.6 0.908 112.5 51.1 -61.6 -43.0 -3.5 -34.1 58.8 98 126 A A H < S+ 0 0 0 -4,-2.6 4,-0.3 4,-0.3 -1,-0.2 0.908 120.8 33.3 -62.3 -42.5 -3.4 -37.1 56.4 99 127 A L H < S+ 0 0 1 -4,-2.2 108,-0.3 -5,-0.2 -2,-0.2 0.908 124.2 38.2 -82.8 -43.8 0.4 -37.3 56.5 100 128 A Q H < S+ 0 0 37 -4,-3.2 87,-2.1 -5,-0.2 88,-0.3 0.673 135.3 18.6 -85.1 -18.3 1.4 -36.2 60.0 101 129 A Y S < S- 0 0 93 -4,-1.6 3,-0.2 -5,-0.4 -3,-0.2 0.297 98.1-124.1-129.0 2.3 -1.4 -37.9 62.0 102 130 A S - 0 0 14 -5,-0.3 2,-0.7 -6,-0.3 -4,-0.3 0.938 38.2-172.7 48.3 53.5 -2.5 -40.4 59.4 103 131 A D > - 0 0 0 -6,-1.7 4,-1.8 1,-0.2 -25,-0.2 -0.685 14.8-157.8 -78.4 115.1 -6.1 -39.0 59.5 104 132 A N H > S+ 0 0 9 -27,-2.3 4,-2.1 -2,-0.7 34,-0.3 0.822 91.3 54.4 -65.1 -33.6 -8.2 -41.3 57.4 105 133 A T H > S+ 0 0 1 -28,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.916 106.3 52.9 -66.3 -41.0 -10.9 -38.8 56.8 106 134 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.916 108.1 51.3 -59.4 -42.6 -8.3 -36.3 55.5 107 135 A M H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.925 108.9 50.7 -60.6 -44.4 -7.1 -39.0 53.1 108 136 A N H X S+ 0 0 32 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.869 107.7 52.7 -63.1 -36.0 -10.6 -39.5 51.8 109 137 A K H X S+ 0 0 32 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.885 109.6 49.7 -66.3 -37.2 -11.1 -35.8 51.3 110 138 A L H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.924 113.2 45.6 -66.9 -43.8 -7.9 -35.8 49.2 111 139 A I H X>S+ 0 0 4 -4,-2.4 5,-2.6 1,-0.2 4,-1.4 0.927 111.4 52.8 -64.6 -45.0 -9.1 -38.7 47.1 112 140 A A H <5S+ 0 0 71 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.907 110.1 47.7 -57.8 -44.1 -12.5 -37.2 46.7 113 141 A H H <5S+ 0 0 63 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.948 110.5 51.7 -62.4 -48.3 -11.1 -33.9 45.4 114 142 A L H <5S- 0 0 20 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.709 121.9-107.6 -61.2 -21.7 -8.8 -35.8 43.0 115 143 A G T <5S- 0 0 44 -4,-1.4 -3,-0.2 -3,-0.3 3,-0.1 0.636 71.2 -39.1 104.1 15.2 -11.8 -37.7 41.7 116 144 A G S >>> S+ 0 0 24 0, 0.0 4,-1.8 0, 0.0 3,-1.2 0.870 124.9 62.2 -53.6 -41.0 -8.5 -43.8 43.8 118 146 A D H 3> S+ 0 0 87 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.778 97.6 58.2 -57.5 -28.7 -7.9 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