==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-APR-00 1ERM . COMPND 2 MOLECULE: TEM-1 BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.NESS,R.MARTIN,A.M.KINDLER,M.PAETZEL,M.GOLD,J.B.JONES, . 263 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11222.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 68.4 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 34.6 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 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 85 0, 0.0 3,-2.0 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 136.6 33.4 8.6 24.1 2 27 A P H 3> + 0 0 80 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.742 360.0 68.1 -57.4 -25.8 33.5 7.2 27.7 3 28 A E H 3> S+ 0 0 103 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.826 97.3 54.8 -63.2 -28.7 37.3 7.1 27.6 4 29 A T H <> S+ 0 0 1 -3,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.896 103.4 55.0 -70.3 -34.0 37.1 10.9 27.6 5 30 A L H X S+ 0 0 39 -4,-0.9 4,-2.7 2,-0.2 5,-0.2 0.859 101.0 58.5 -65.7 -31.3 35.0 10.8 30.7 6 31 A V H X S+ 0 0 91 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.947 108.2 46.4 -61.8 -42.9 37.7 8.8 32.4 7 32 A K H X S+ 0 0 30 -4,-1.4 4,-2.8 1,-0.2 -2,-0.2 0.889 109.7 53.6 -65.7 -39.1 40.1 11.7 31.7 8 33 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.926 111.1 45.3 -62.8 -43.8 37.6 14.2 32.9 9 34 A K H X S+ 0 0 109 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.924 111.8 53.0 -65.4 -39.3 37.2 12.3 36.2 10 35 A D H X S+ 0 0 59 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.909 107.1 52.4 -59.9 -41.3 41.0 12.0 36.4 11 36 A A H X S+ 0 0 0 -4,-2.8 4,-3.3 2,-0.2 5,-0.3 0.927 107.1 51.9 -62.2 -41.0 41.3 15.8 36.0 12 37 A E H X>S+ 0 0 24 -4,-2.2 4,-1.8 1,-0.2 5,-1.2 0.904 112.3 47.4 -61.3 -38.5 38.8 16.3 38.8 13 38 A D H <5S+ 0 0 92 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.899 114.8 44.9 -68.3 -41.5 41.0 14.0 40.9 14 39 A Q H <5S+ 0 0 111 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.854 120.3 39.6 -69.6 -40.3 44.2 15.8 39.9 15 40 A L H <5S- 0 0 13 -4,-3.3 227,-0.6 2,-0.2 228,-0.4 0.695 96.7-133.6 -83.9 -19.9 42.8 19.3 40.4 16 41 A G T <5S+ 0 0 63 -4,-1.8 2,-0.3 -5,-0.3 -3,-0.2 0.892 73.9 95.7 67.3 38.1 40.8 18.6 43.6 17 42 A A S -A 232 0A 39 5,-2.9 4,-1.8 -2,-0.4 207,-0.2 -0.569 21.4-150.9 -72.1 124.1 27.2 18.0 17.6 26 51 A L T 4 S+ 0 0 17 205,-2.4 -1,-0.2 -2,-0.4 206,-0.1 0.945 89.5 43.5 -61.6 -49.5 27.2 21.2 15.7 27 52 A N T 4 S+ 0 0 143 204,-0.5 -1,-0.2 1,-0.2 205,-0.1 0.930 129.5 19.8 -63.2 -53.5 24.9 20.2 13.0 28 53 A S T 4 S- 0 0 72 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.623 92.7-128.9 -96.1 -19.2 22.1 18.4 15.0 29 54 A G < + 0 0 22 -4,-1.8 2,-0.2 1,-0.3 -3,-0.1 0.606 51.9 154.9 81.5 11.8 22.7 19.8 18.4 30 55 A K - 0 0 129 -6,-0.1 -5,-2.9 1,-0.1 2,-0.5 -0.534 48.3-116.8 -77.8 142.1 22.8 16.3 20.0 31 56 A I E -B 24 0A 82 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.626 31.6-179.6 -77.1 122.3 24.7 15.9 23.2 32 57 A L E - 0 0 51 -9,-3.1 2,-0.3 -2,-0.5 -8,-0.2 0.763 65.2 -9.1 -94.6 -29.6 27.6 13.5 22.6 33 58 A E E -B 23 0A 37 -10,-1.3 -10,-2.6 -29,-0.0 -1,-0.4 -0.946 66.1-178.8-168.0 145.3 29.1 13.3 26.0 34 59 A S E -B 22 0A 45 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.996 16.8-170.9-155.0 153.1 28.7 15.2 29.2 35 60 A F E S-B 21 0A 44 -14,-2.5 -14,-2.9 -2,-0.3 -2,-0.0 -0.947 87.1 -14.2-146.1 118.5 30.0 15.5 32.8 36 61 A R S > S+ 0 0 80 -2,-0.3 3,-1.4 -16,-0.2 -14,-0.1 0.898 80.1 169.3 50.9 47.7 28.1 17.8 35.3 37 62 A P T 3 + 0 0 36 0, 0.0 122,-2.3 0, 0.0 123,-0.4 0.737 69.7 40.2 -61.8 -26.1 26.3 19.4 32.3 38 63 A E T 3 S+ 0 0 152 120,-0.2 2,-0.4 119,-0.1 -2,-0.1 0.047 87.0 105.9-117.1 27.7 23.8 21.2 34.4 39 64 A E S < S- 0 0 66 -3,-1.4 2,-0.3 1,-0.0 120,-0.1 -0.803 74.0-111.3 -99.4 148.6 25.9 22.5 37.3 40 65 A R + 0 0 60 -2,-0.4 117,-0.2 117,-0.2 110,-0.1 -0.590 36.5 177.2 -83.2 141.7 26.7 26.2 37.3 41 66 A F E -E 156 0B 1 115,-3.1 115,-2.4 -2,-0.3 2,-0.2 -0.986 38.6 -97.5-135.2 151.2 30.2 27.4 36.7 42 67 A P E -E 155 0B 15 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.426 26.8-148.6 -67.0 133.6 31.6 31.0 36.4 43 68 A M > + 0 0 4 111,-2.1 3,-1.7 -2,-0.2 4,-0.1 0.798 27.8 176.2 -72.3 -32.5 31.9 32.0 32.8 44 69 A M G > - 0 0 1 110,-0.5 3,-1.8 100,-0.4 4,-0.2 -0.209 67.8 -15.6 55.8-147.6 34.9 34.3 33.3 45 70 A S G > S+ 0 0 10 167,-0.4 3,-1.4 1,-0.3 4,-0.3 0.534 118.7 85.7 -67.8 -5.0 36.2 35.7 30.0 46 71 A T G X> S+ 0 0 0 -3,-1.7 3,-1.3 1,-0.2 4,-0.6 0.794 75.0 73.8 -67.6 -16.5 34.3 33.2 27.9 47 72 A F H X> S+ 0 0 0 -3,-1.8 4,-2.3 1,-0.2 3,-0.8 0.775 75.1 82.5 -61.7 -22.8 31.4 35.7 28.1 48 73 A K H <> S+ 0 0 0 -3,-1.4 4,-2.0 1,-0.3 -1,-0.2 0.785 86.5 54.4 -54.0 -29.9 33.3 37.9 25.7 49 74 A V H <> S+ 0 0 0 -3,-1.3 4,-1.4 -4,-0.3 -1,-0.3 0.885 107.9 48.4 -70.2 -40.4 32.0 35.9 22.8 50 75 A L H S+ 0 0 57 -4,-1.7 5,-1.4 1,-0.2 6,-1.0 0.883 108.9 52.5 -70.3 -36.5 22.9 45.5 17.0 59 84 A V H ><5S+ 0 0 33 -4,-2.1 3,-1.5 4,-0.2 -1,-0.2 0.941 109.0 49.4 -63.7 -42.1 25.1 46.1 14.0 60 85 A D H 3<5S+ 0 0 58 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.861 110.0 53.3 -63.3 -35.9 22.7 43.8 11.9 61 86 A A T 3<5S- 0 0 65 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.415 116.5-113.2 -79.5 -2.3 19.8 45.9 13.2 62 87 A G T < 5S+ 0 0 53 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.270 90.4 108.1 87.3 -9.2 21.3 49.2 12.2 63 88 A Q S - 0 0 108 -2,-0.3 3,-1.6 1,-0.1 29,-0.4 -0.982 11.2-148.0-122.9 132.1 28.5 50.4 13.4 66 91 A L T 3 S+ 0 0 24 -2,-0.4 29,-2.6 1,-0.3 30,-0.3 0.833 104.6 54.1 -62.4 -27.7 31.6 48.2 13.5 67 92 A G T 3 S+ 0 0 46 27,-0.2 -1,-0.3 26,-0.2 29,-0.0 0.567 80.2 118.8 -83.5 -8.3 33.4 51.2 12.3 68 93 A R < - 0 0 100 -3,-1.6 26,-2.2 25,-0.1 2,-0.4 -0.330 60.6-133.5 -61.8 139.7 32.2 53.5 15.0 69 94 A R E -F 93 0C 107 24,-0.2 2,-0.4 25,-0.1 24,-0.3 -0.763 15.8-161.8-100.1 135.4 35.1 54.9 17.2 70 95 A I E -F 92 0C 18 22,-2.8 22,-2.0 -2,-0.4 2,-0.4 -0.936 2.0-159.7-116.5 134.7 35.0 54.9 20.9 71 96 A H + 0 0 136 -2,-0.4 2,-0.3 20,-0.2 17,-0.1 -0.887 18.4 163.1-112.7 144.8 37.3 57.1 23.1 72 97 A Y - 0 0 20 16,-0.4 2,-0.3 -2,-0.4 19,-0.1 -0.850 22.2-133.0-145.8-178.4 38.0 56.3 26.7 73 98 A S > - 0 0 47 -2,-0.3 3,-2.3 1,-0.0 4,-0.4 -0.822 37.8 -80.1-138.2-178.5 40.6 57.5 29.1 74 99 A Q G > S+ 0 0 142 1,-0.3 3,-1.0 -2,-0.3 14,-0.0 0.753 120.8 64.9 -51.1 -30.9 43.1 56.3 31.7 75 100 A N G 3 S+ 0 0 149 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.667 95.9 56.1 -69.0 -23.1 40.3 56.0 34.3 76 101 A D G < S+ 0 0 70 -3,-2.3 2,-0.3 2,-0.0 -1,-0.2 0.569 82.8 113.0 -83.8 -11.7 38.5 53.3 32.3 77 102 A L < - 0 0 40 -3,-1.0 2,-0.2 -4,-0.4 3,-0.1 -0.528 42.7-178.8 -73.0 127.4 41.5 51.0 32.3 78 103 A V - 0 0 41 -2,-0.3 30,-0.3 1,-0.1 29,-0.2 -0.724 40.7 -72.6-115.2 168.2 41.3 47.8 34.3 79 104 A E S S+ 0 0 157 -2,-0.2 28,-0.2 1,-0.2 -1,-0.1 -0.227 116.0 34.6 -55.4 146.8 43.9 44.9 35.0 80 105 A Y S S+ 0 0 117 27,-0.1 27,-3.5 26,-0.1 28,-0.2 0.967 73.9 135.7 69.6 56.5 44.4 42.8 31.9 81 106 A S > + 0 0 5 25,-0.3 4,-2.3 26,-0.2 5,-0.2 -0.372 12.5 154.1-132.0 52.3 44.1 45.5 29.2 82 107 A P T 4 S+ 0 0 30 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.743 76.8 30.7 -54.2 -35.6 47.0 44.7 26.9 83 108 A V T >4 S+ 0 0 28 2,-0.1 3,-1.4 -3,-0.1 4,-0.3 0.877 117.3 50.9 -94.0 -44.0 45.5 46.2 23.8 84 109 A T G >4 S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 7,-0.1 0.845 102.4 63.2 -64.4 -32.1 43.3 49.0 25.1 85 110 A E G >< S+ 0 0 111 -4,-2.3 3,-0.5 1,-0.3 -1,-0.3 0.751 99.6 53.9 -66.7 -18.7 46.1 50.4 27.1 86 111 A K G < S+ 0 0 159 -3,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.476 106.6 51.2 -92.3 -2.0 48.1 51.0 24.0 87 112 A H G <> + 0 0 62 -3,-1.6 4,-2.3 -4,-0.3 -1,-0.2 0.069 63.7 125.8-121.2 23.7 45.4 53.1 22.3 88 113 A L T <4 S+ 0 0 50 -3,-0.5 -16,-0.4 1,-0.2 -1,-0.1 0.852 74.9 51.5 -46.3 -46.9 44.5 55.6 24.9 89 114 A T T 4 S+ 0 0 121 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.908 120.8 23.4 -64.4 -49.3 45.2 58.5 22.5 90 115 A D T 4 S- 0 0 110 1,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.639 93.9-138.9 -97.5 -11.8 43.1 57.6 19.4 91 116 A G < - 0 0 1 -4,-2.3 2,-0.3 -7,-0.1 -1,-0.2 -0.383 21.6-102.8 84.1-169.4 40.5 55.3 20.8 92 117 A M E -F 70 0C 3 -22,-2.0 -22,-2.8 -2,-0.1 2,-0.1 -0.984 23.7-107.4-154.3 155.6 39.4 52.2 18.9 93 118 A T E > -F 69 0C 18 -2,-0.3 4,-1.8 -24,-0.3 -24,-0.2 -0.409 35.2-106.5 -84.6 164.3 36.5 51.2 16.8 94 119 A V H > S+ 0 0 0 -26,-2.2 4,-2.5 -29,-0.4 5,-0.2 0.915 121.5 55.1 -52.1 -44.1 33.9 48.7 17.8 95 120 A R H > S+ 0 0 115 -29,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.936 108.6 46.2 -58.7 -47.8 35.4 46.1 15.5 96 121 A E H > S+ 0 0 65 -30,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.780 109.2 55.9 -66.4 -28.7 38.8 46.5 17.2 97 122 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.926 109.6 45.2 -70.3 -42.2 37.3 46.3 20.6 98 123 A a H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.920 112.6 51.9 -67.1 -38.0 35.6 43.0 19.8 99 124 A S H X S+ 0 0 41 -4,-2.3 4,-2.3 -5,-0.2 5,-0.5 0.899 113.0 45.4 -64.9 -36.6 38.8 41.7 18.3 100 125 A A H X S+ 0 0 3 -4,-2.1 6,-1.9 1,-0.2 4,-1.2 0.893 112.2 49.2 -72.5 -40.2 40.7 42.7 21.4 101 126 A A H X S+ 0 0 0 -4,-2.7 4,-0.5 4,-0.2 -2,-0.2 0.890 121.2 36.5 -66.2 -39.1 38.2 41.2 23.8 102 127 A I H < S+ 0 0 0 -4,-2.5 108,-0.2 -5,-0.2 -2,-0.2 0.928 123.6 35.2 -78.8 -53.2 38.1 37.9 21.9 103 128 A T H < S+ 0 0 9 -4,-2.3 87,-2.4 -5,-0.3 88,-0.4 0.765 135.9 21.4 -79.0 -22.2 41.6 37.3 20.7 104 129 A M H < S- 0 0 51 -4,-1.2 -1,-0.2 -5,-0.5 -3,-0.2 0.355 93.7-123.9-126.1 4.7 43.4 38.8 23.7 105 130 A S < - 0 0 9 -4,-0.5 -4,-0.2 1,-0.2 -3,-0.1 0.686 40.1-175.5 60.8 16.7 40.8 38.7 26.5 106 131 A D > - 0 0 0 -6,-1.9 4,-1.1 1,-0.1 -25,-0.3 -0.284 13.9-159.0 -49.4 117.2 41.3 42.5 27.0 107 132 A N H > S+ 0 0 10 -27,-3.5 4,-2.1 2,-0.2 34,-0.2 0.860 87.2 50.7 -69.8 -43.1 39.2 43.5 30.0 108 133 A T H > S+ 0 0 0 -30,-0.3 4,-2.4 -28,-0.2 5,-0.2 0.929 106.2 56.6 -63.2 -44.3 38.8 47.2 29.3 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 108.9 47.5 -52.4 -40.9 37.6 46.5 25.7 110 135 A A H X S+ 0 0 0 -4,-1.1 4,-2.9 1,-0.2 -1,-0.2 0.921 109.4 52.0 -69.6 -43.4 34.8 44.3 27.2 111 136 A N H X S+ 0 0 24 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.930 110.1 49.7 -57.4 -43.2 33.8 46.9 29.7 112 137 A L H X S+ 0 0 19 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.939 113.2 45.1 -64.1 -44.6 33.5 49.6 27.0 113 138 A L H X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.900 108.7 57.1 -66.1 -39.0 31.4 47.3 24.8 114 139 A L H >X>S+ 0 0 0 -4,-2.9 5,-3.2 1,-0.2 4,-0.8 0.926 106.7 51.3 -57.6 -41.6 29.3 46.4 27.8 115 140 A T H ><5S+ 0 0 88 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.956 105.0 54.7 -59.1 -50.2 28.5 50.0 28.3 116 141 A T H 3<5S+ 0 0 31 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.748 111.1 44.8 -57.1 -26.4 27.5 50.5 24.7 117 142 A I H <<5S- 0 0 16 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.547 126.7 -93.4 -96.9 -6.2 24.9 47.8 24.8 118 143 A G T <<5 - 0 0 48 -3,-1.5 4,-0.4 -4,-0.8 3,-0.3 0.589 64.6 -87.1 106.7 13.1 23.5 48.8 28.1 119 144 A G >>< - 0 0 4 -5,-3.2 4,-1.8 -6,-0.2 3,-0.9 -0.116 68.2 -38.8 86.4-179.7 25.4 46.7 30.6 120 145 A P H 3> S+ 0 0 10 0, 0.0 4,-3.3 0, 0.0 17,-0.4 0.832 129.5 60.1 -51.9 -39.9 25.1 43.2 32.1 121 146 A K H 3> S+ 0 0 169 -3,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.891 108.3 44.0 -61.3 -36.3 21.4 43.4 32.4 122 147 A E H <> S+ 0 0 94 -3,-0.9 4,-2.3 -4,-0.4 -1,-0.2 0.857 111.1 51.7 -77.6 -35.0 21.0 43.8 28.7 123 148 A L H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.972 112.2 49.8 -63.7 -46.1 23.5 41.1 27.7 124 149 A T H X S+ 0 0 38 -4,-3.3 4,-2.3 13,-0.3 -2,-0.2 0.919 110.3 49.5 -56.7 -42.4 21.4 38.9 30.1 125 150 A A H X S+ 0 0 34 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.859 107.0 54.9 -66.5 -32.6 18.2 40.0 28.3 126 151 A F H X S+ 0 0 36 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.916 110.0 46.7 -66.0 -41.0 19.7 39.3 24.9 127 152 A L H ><>S+ 0 0 1 -4,-2.1 5,-2.7 1,-0.2 3,-0.7 0.913 109.2 54.1 -66.2 -42.9 20.5 35.7 26.0 128 153 A H H ><5S+ 0 0 95 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.921 105.9 53.6 -55.7 -42.7 17.1 35.2 27.5 129 154 A N H 3<5S+ 0 0 136 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.703 104.8 54.4 -69.4 -19.9 15.5 36.2 24.2 130 155 A M T <<5S- 0 0 28 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.296 129.2 -93.4 -97.1 10.7 17.5 33.6 22.4 131 156 A G T < 5S+ 0 0 41 -3,-1.5 2,-1.0 1,-0.2 -3,-0.2 0.525 86.9 127.2 96.1 4.8 16.3 30.9 24.7 132 157 A D < + 0 0 7 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.806 21.1 164.3 -98.5 104.1 19.0 30.8 27.2 133 158 A H + 0 0 129 -2,-1.0 -1,-0.1 1,-0.1 -5,-0.1 0.195 69.4 52.2-100.8 17.3 17.3 31.2 30.5 134 159 A V S S+ 0 0 38 -7,-0.1 21,-0.2 23,-0.1 2,-0.1 0.763 82.8 80.4-116.6 -49.5 20.3 30.0 32.5 135 160 A T + 0 0 4 22,-0.1 2,-0.4 -8,-0.1 21,-0.2 -0.457 58.6 178.6 -65.6 133.0 23.4 32.0 31.6 136 161 A R - 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