==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-FEB-03 1NY0 . COMPND 2 MOLECULE: BETA-LACTAMASE TEM; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR X.WANG,G.MINASOV,J.BLAZQUEZ,E.CASELLI,F.PRATI,B.K.SHOICHET . 263 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11129.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 70.0 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 . 38 14.4 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.7 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 1 2 1 1 2 0 0 1 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 1 0 0 1 2 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 . 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 26 A H >> 0 0 82 0, 0.0 3,-2.2 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 131.6 2.5 1.3 9.5 2 27 A P H 3> + 0 0 80 0, 0.0 4,-1.6 0, 0.0 3,-0.3 0.778 360.0 68.0 -54.4 -28.0 6.0 1.1 8.1 3 28 A E H 3> S+ 0 0 94 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.820 95.1 56.9 -63.4 -27.6 6.2 4.9 8.0 4 29 A T H <> S+ 0 0 1 -3,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.884 103.4 52.2 -70.7 -35.3 6.2 4.8 11.8 5 30 A L H X S+ 0 0 40 -4,-0.8 4,-3.0 -3,-0.3 5,-0.3 0.823 102.3 60.4 -67.6 -29.9 9.3 2.6 11.7 6 31 A V H X S+ 0 0 86 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.951 108.3 44.3 -59.2 -43.9 10.9 5.2 9.5 7 32 A K H X S+ 0 0 24 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.900 111.4 52.2 -69.3 -38.3 10.4 7.6 12.3 8 33 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.925 112.2 45.9 -62.8 -44.0 11.6 5.2 15.0 9 34 A K H X S+ 0 0 105 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.898 110.1 54.6 -65.6 -38.1 14.8 4.6 12.9 10 35 A D H X S+ 0 0 55 -4,-2.4 4,-3.3 -5,-0.3 -1,-0.2 0.881 104.9 54.8 -61.5 -37.5 15.1 8.4 12.5 11 36 A A H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.913 104.4 52.5 -63.0 -42.5 14.9 8.7 16.3 12 37 A E H X>S+ 0 0 29 -4,-1.8 4,-1.6 1,-0.2 5,-1.3 0.914 113.3 45.7 -59.1 -40.0 17.8 6.3 16.7 13 38 A D H <5S+ 0 0 90 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.952 114.5 45.6 -66.5 -50.7 19.8 8.5 14.2 14 39 A Q H <5S+ 0 0 112 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.844 122.6 36.7 -61.4 -37.6 18.8 11.8 15.8 15 40 A L H <5S- 0 0 13 -4,-2.8 227,-0.7 -5,-0.2 228,-0.4 0.626 98.3-132.8 -91.2 -17.2 19.5 10.5 19.4 16 41 A G T <5S+ 0 0 61 -4,-1.6 2,-0.3 -5,-0.3 -3,-0.2 0.928 72.7 92.0 64.3 43.1 22.5 8.3 18.6 17 42 A A S -A 232 0A 37 5,-3.0 4,-2.2 -2,-0.4 207,-0.3 -0.635 25.2-149.8 -74.2 124.7 -3.9 -4.1 18.9 26 51 A L T 4 S+ 0 0 17 205,-2.5 206,-0.2 -2,-0.5 -1,-0.2 0.880 90.7 47.1 -65.7 -38.5 -5.6 -3.8 22.4 27 52 A N T 4 S+ 0 0 142 204,-0.6 -1,-0.2 1,-0.1 205,-0.1 0.981 127.9 20.5 -66.4 -59.3 -8.6 -5.9 21.4 28 53 A S T 4 S- 0 0 59 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.719 92.3-128.6 -86.1 -25.8 -6.9 -8.8 19.7 29 54 A G < + 0 0 24 -4,-2.2 2,-0.1 1,-0.3 -3,-0.1 0.542 53.7 154.5 85.9 5.8 -3.4 -8.6 21.1 30 55 A K - 0 0 131 -5,-0.1 -5,-3.0 1,-0.1 2,-0.6 -0.450 47.8-119.8 -70.7 139.5 -2.0 -8.8 17.6 31 56 A I E +B 24 0A 93 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.705 32.1 178.2 -81.4 122.2 1.4 -7.2 17.1 32 57 A L E - 0 0 57 -9,-3.1 2,-0.3 -2,-0.6 -8,-0.2 0.852 63.1 -7.4 -93.8 -39.9 1.1 -4.4 14.5 33 58 A E E +B 23 0A 43 -10,-1.3 -10,-2.3 -29,-0.0 -1,-0.4 -0.983 65.0 179.4-155.4 149.6 4.6 -3.0 14.3 34 59 A S E -B 22 0A 42 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.996 15.3-172.7-155.2 157.1 7.9 -3.5 16.2 35 60 A F E S-B 21 0A 44 -14,-2.5 -14,-3.1 -2,-0.3 -2,-0.0 -0.917 84.7 -11.9-153.7 121.1 11.5 -2.5 16.4 36 61 A R S > S+ 0 0 80 -2,-0.3 3,-1.6 -16,-0.2 123,-0.1 0.868 79.6 168.6 50.4 42.7 14.0 -4.2 18.7 37 62 A P T 3 S+ 0 0 35 0, 0.0 122,-2.3 0, 0.0 123,-0.4 0.743 70.3 39.4 -55.9 -28.7 11.0 -5.9 20.4 38 63 A E T 3 S+ 0 0 169 119,-0.1 2,-0.3 120,-0.1 -2,-0.1 0.254 88.8 108.0-109.7 13.9 13.1 -8.4 22.4 39 64 A E S < S- 0 0 64 -3,-1.6 2,-0.2 1,-0.1 120,-0.1 -0.671 71.9-113.0 -90.4 146.3 16.0 -6.1 23.4 40 65 A R + 0 0 64 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.537 36.4 173.1 -83.4 144.6 16.3 -5.1 27.0 41 66 A F E -E 156 0B 1 115,-2.5 115,-2.2 -2,-0.2 2,-0.2 -0.977 41.6 -94.9-142.7 150.9 15.8 -1.5 28.2 42 67 A P E -E 155 0B 14 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.489 27.7-149.0 -67.0 134.9 15.6 0.0 31.7 43 68 A M > + 0 0 3 111,-2.1 3,-1.7 -2,-0.2 112,-0.1 0.840 28.2 176.0 -72.6 -35.2 11.9 0.3 32.7 44 69 A M G > - 0 0 0 110,-0.5 3,-1.8 100,-0.4 4,-0.2 -0.269 69.0 -14.9 57.6-148.2 12.6 3.4 34.8 45 70 A S G > S+ 0 0 8 1,-0.3 3,-2.0 167,-0.3 4,-0.3 0.582 119.4 85.5 -61.9 -11.4 9.3 4.8 36.2 46 71 A T G X> S+ 0 0 0 -3,-1.7 3,-1.2 1,-0.3 4,-0.7 0.744 77.1 70.8 -63.1 -17.9 7.1 2.8 33.8 47 72 A F H <> S+ 0 0 0 -3,-1.8 4,-2.4 1,-0.2 -1,-0.3 0.744 78.2 79.6 -69.4 -17.8 7.4 -0.0 36.4 48 73 A K H <> S+ 0 0 0 -3,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.794 88.3 54.1 -60.6 -26.6 5.1 2.0 38.6 49 74 A V H <> S+ 0 0 0 -3,-1.2 4,-1.6 -4,-0.3 -1,-0.2 0.899 108.6 47.9 -72.6 -40.6 2.1 0.9 36.6 50 75 A L H X S+ 0 0 0 -4,-0.7 4,-2.3 -3,-0.3 -2,-0.2 0.889 110.6 55.0 -64.6 -37.6 3.1 -2.8 37.2 51 76 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.951 109.6 42.9 -59.4 -53.6 3.5 -1.9 40.9 52 77 A a H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.796 109.2 60.4 -67.3 -23.4 0.0 -0.5 41.3 53 78 A G H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.970 107.6 44.8 -63.8 -50.1 -1.3 -3.5 39.3 54 79 A A H X S+ 0 0 5 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.879 112.4 52.1 -59.6 -40.9 0.2 -5.8 41.9 55 80 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-0.4 0.959 110.2 47.4 -61.1 -49.8 -1.2 -3.6 44.7 56 81 A L H X S+ 0 0 1 -4,-3.0 4,-2.8 1,-0.3 -2,-0.2 0.859 106.6 58.8 -60.7 -34.3 -4.7 -3.7 43.1 57 82 A S H X S+ 0 0 30 -4,-2.3 4,-1.7 1,-0.2 -1,-0.3 0.901 107.2 46.6 -61.8 -40.2 -4.3 -7.5 42.8 58 83 A R H <>S+ 0 0 66 -4,-1.8 5,-2.6 -3,-0.4 6,-0.9 0.892 109.9 54.1 -68.4 -38.4 -3.9 -7.7 46.6 59 84 A V H ><5S+ 0 0 31 -4,-2.2 3,-1.7 4,-0.2 -2,-0.2 0.942 106.7 51.5 -59.3 -46.5 -6.9 -5.4 47.0 60 85 A D H 3<5S+ 0 0 56 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.901 110.7 48.4 -56.5 -41.3 -9.0 -7.7 44.9 61 86 A A T 3<5S- 0 0 69 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.405 117.3-114.4 -80.7 2.5 -7.9 -10.6 47.1 62 87 A G T < 5S+ 0 0 54 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.621 87.4 116.3 74.4 13.1 -8.7 -8.7 50.3 63 88 A Q S - 0 0 101 -2,-0.3 3,-1.7 1,-0.1 29,-0.4 -0.996 12.9-144.5-129.4 129.4 -7.2 -1.8 51.2 66 91 A L T 3 S+ 0 0 22 -2,-0.4 29,-2.6 1,-0.3 30,-0.4 0.832 103.9 54.1 -60.3 -30.2 -7.0 1.3 49.0 67 92 A G T 3 S+ 0 0 45 27,-0.2 -1,-0.3 26,-0.2 2,-0.2 0.497 78.6 120.3 -83.7 -2.6 -8.0 3.4 52.0 68 93 A R < - 0 0 91 -3,-1.7 26,-1.8 25,-0.1 2,-0.4 -0.436 62.2-129.7 -66.2 129.1 -5.3 2.1 54.3 69 94 A R E -F 93 0C 110 24,-0.2 2,-0.5 -2,-0.2 24,-0.3 -0.642 15.7-156.8 -87.8 134.4 -3.1 4.9 55.5 70 95 A I E -F 92 0C 21 22,-3.2 22,-2.2 -2,-0.4 2,-0.4 -0.931 5.7-158.0-110.2 123.8 0.7 4.7 55.3 71 96 A H + 0 0 132 -2,-0.5 2,-0.3 20,-0.2 18,-0.1 -0.814 20.3 162.3-101.7 142.8 2.8 6.8 57.6 72 97 A Y - 0 0 19 16,-0.5 2,-0.3 -2,-0.4 19,-0.1 -0.853 20.1-141.1-145.6 178.0 6.4 7.6 56.7 73 98 A S >> - 0 0 61 -2,-0.3 3,-2.1 1,-0.0 4,-0.6 -0.836 40.6 -82.3-139.6 177.8 9.1 10.1 57.7 74 99 A Q G >4 S+ 0 0 154 1,-0.3 3,-1.5 -2,-0.3 -1,-0.0 0.844 121.3 66.7 -48.7 -39.0 11.9 12.2 56.3 75 100 A N G 34 S+ 0 0 149 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.787 100.1 51.5 -54.6 -31.0 14.2 9.2 56.4 76 101 A D G <4 S+ 0 0 64 -3,-2.1 2,-0.3 2,-0.0 -1,-0.3 0.651 84.1 107.1 -80.7 -17.0 12.0 7.6 53.7 77 102 A L << + 0 0 50 -3,-1.5 2,-0.2 -4,-0.6 3,-0.1 -0.489 46.1 178.8 -74.8 124.7 12.1 10.6 51.3 78 103 A V - 0 0 35 -2,-0.3 30,-0.3 1,-0.2 29,-0.1 -0.625 43.6 -52.6-114.4 174.6 14.2 10.1 48.2 79 104 A E S S+ 0 0 122 -2,-0.2 28,-0.2 1,-0.2 -1,-0.2 -0.172 117.5 14.1 -52.6 138.0 15.0 12.3 45.2 80 105 A Y + 0 0 110 1,-0.1 27,-2.3 27,-0.1 28,-0.3 0.990 69.3 148.3 54.6 82.3 12.0 13.7 43.4 81 106 A S > + 0 0 4 25,-0.2 4,-2.4 26,-0.2 5,-0.2 -0.558 9.2 163.6-136.6 59.0 9.0 13.1 45.8 82 107 A P T 4 S+ 0 0 28 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.803 77.3 32.9 -50.8 -38.3 6.8 16.1 44.9 83 108 A V T >> S+ 0 0 31 2,-0.1 3,-1.4 1,-0.1 4,-0.7 0.929 119.2 47.2 -88.6 -52.8 3.6 14.7 46.6 84 109 A T G >4 S+ 0 0 0 1,-0.3 3,-0.9 2,-0.2 4,-0.2 0.827 103.6 61.2 -59.9 -33.8 5.0 12.7 49.5 85 110 A E G 3< S+ 0 0 115 -4,-2.4 3,-0.4 1,-0.2 -1,-0.3 0.774 104.6 54.2 -65.2 -19.5 7.3 15.4 50.7 86 111 A K G <4 S+ 0 0 158 -3,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.680 109.0 44.4 -84.8 -23.3 4.2 17.5 51.2 87 112 A H -F 69 0C 14 -2,-0.3 4,-2.4 -24,-0.3 -24,-0.2 -0.407 32.8-108.5 -81.1 161.6 -3.4 6.2 51.7 94 119 A V H > S+ 0 0 0 -26,-1.8 4,-2.2 -29,-0.4 5,-0.2 0.907 122.5 51.4 -53.3 -44.1 -2.6 3.3 49.3 95 120 A R H > S+ 0 0 111 -29,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.918 110.5 47.5 -60.0 -45.7 -4.9 4.9 46.8 96 121 A E H > S+ 0 0 82 -30,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.825 110.3 53.6 -68.4 -30.5 -3.3 8.3 47.1 97 122 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.883 108.6 47.4 -72.2 -39.9 0.2 6.8 46.8 98 123 A a H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.880 112.4 51.6 -66.7 -35.8 -0.7 5.0 43.6 99 124 A S H X>S+ 0 0 45 -4,-2.0 4,-2.8 -5,-0.2 5,-0.5 0.937 112.6 44.7 -64.1 -46.0 -2.1 8.3 42.3 100 125 A A H X>S+ 0 0 3 -4,-2.3 6,-2.1 1,-0.2 4,-1.3 0.898 113.5 51.0 -64.6 -40.4 1.1 10.1 43.2 101 126 A A H <5S+ 0 0 0 -4,-2.6 -2,-0.2 4,-0.3 -1,-0.2 0.898 120.5 32.0 -66.3 -40.3 3.3 7.4 41.7 102 127 A I H <5S+ 0 0 2 -4,-2.3 108,-0.2 3,-0.1 -2,-0.2 0.884 124.8 39.1 -87.2 -41.6 1.5 7.3 38.4 103 128 A T H <5S+ 0 0 12 -4,-2.8 87,-1.6 -5,-0.3 88,-0.4 0.892 137.0 16.4 -79.5 -36.1 0.3 10.9 37.8 104 129 A M T < - 0 0 0 -6,-2.1 4,-1.2 1,-0.2 -25,-0.2 -0.363 12.2-156.8 -57.7 122.7 6.6 10.4 42.9 107 132 A N H > S+ 0 0 16 -27,-2.3 4,-2.0 2,-0.2 34,-0.2 0.871 88.2 51.2 -75.3 -38.1 9.5 8.2 43.8 108 133 A T H > S+ 0 0 0 -28,-0.3 4,-2.6 -30,-0.3 5,-0.2 0.907 106.6 56.8 -67.3 -35.9 9.0 7.9 47.5 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 106.3 50.7 -58.9 -39.5 5.4 6.9 46.9 110 135 A A H X S+ 0 0 0 -4,-1.2 4,-2.8 1,-0.2 -1,-0.2 0.911 109.5 50.0 -64.2 -43.0 6.8 4.0 44.7 111 136 A N H X S+ 0 0 21 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.903 110.1 49.9 -63.1 -40.8 9.1 2.9 47.5 112 137 A L H X S+ 0 0 17 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.948 113.1 46.5 -64.4 -43.4 6.3 2.9 50.1 113 138 A L H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 6,-0.2 0.903 108.4 56.2 -64.8 -40.6 4.1 0.9 47.8 114 139 A L H >X>S+ 0 0 0 -4,-2.8 5,-3.5 1,-0.2 4,-0.9 0.915 105.5 52.8 -57.0 -42.5 6.9 -1.6 47.0 115 140 A T H ><5S+ 0 0 92 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.904 103.3 57.3 -59.9 -41.2 7.3 -2.2 50.7 116 141 A T H 3<5S+ 0 0 24 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.792 112.5 40.0 -63.0 -29.8 3.6 -3.0 51.0 117 142 A I H <<5S- 0 0 17 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.476 127.4 -88.3 -98.8 -3.4 3.8 -5.8 48.5 118 143 A G T >< - 0 0 2 -5,-3.5 4,-1.7 -6,-0.2 3,-0.7 -0.169 69.4 -36.9 84.7-177.0 9.6 -5.2 47.4 120 145 A P H 3> S+ 0 0 7 0, 0.0 4,-2.7 0, 0.0 17,-0.4 0.840 133.2 59.7 -51.1 -40.0 11.2 -5.8 44.0 121 146 A K H 3> S+ 0 0 164 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.924 108.4 43.4 -57.1 -45.9 11.4 -9.5 44.6 122 147 A E H S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 3,-0.5 0.925 113.6 50.8 -69.8 -46.8 5.0 -10.8 36.9 128 153 A H H ><5S+ 0 0 102 -4,-2.9 3,-1.8 1,-0.3 -2,-0.2 0.929 108.8 53.6 -57.3 -44.2 6.6 -14.2 36.6 129 154 A N H 3<5S+ 0 0 139 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.791 106.1 52.2 -62.9 -30.1 3.4 -15.7 38.0 130 155 A M T 3<5S- 0 0 30 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.292 130.4 -90.7 -90.4 11.5 1.3 -14.0 35.3 131 156 A G T < 5S+ 0 0 48 -3,-1.8 2,-0.9 1,-0.2 -3,-0.2 0.442 90.9 120.2 100.1 -1.6 3.5 -15.4 32.5 132 157 A D < + 0 0 9 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.2 -0.831 23.2 163.6-101.3 102.2 6.1 -12.6 32.1 133 158 A H + 0 0 127 -2,-0.9 -1,-0.1 1,-0.1 -5,-0.1 0.172 69.0 59.5-100.6 16.6 9.5 -14.1 32.8 134 159 A V S S+ 0 0 51 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.803 82.5 78.4-108.0 -52.1 11.4 -11.3 31.2 135 160 A T + 0 0 3 -8,-0.1 2,-0.3 19,-0.1 21,-0.2 -0.344 59.2 173.5 -64.0 137.0 10.5 -8.2 33.1 136 161 A R - 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