==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JAN-13 3W4P . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR M.NUKAGA,N.OHUCHI,K.M.PAPP-WALLACE,M.A.TARACILA,R.A.BONOMO . 266 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 72.2 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 . 41 15.4 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 . 8 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 34.2 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 2 0 0 0 0 0 1 2 2 1 2 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 . 1 2 0 1 0 0 1 0 2 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 M > 0 0 134 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 125.9 5.3 -0.4 47.7 2 25 A K H > + 0 0 182 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.846 360.0 52.0 -68.1 -38.0 6.8 -2.7 45.1 3 26 A N H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 110.1 51.2 -63.7 -37.7 6.0 -0.5 42.1 4 27 A V H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.925 108.8 49.9 -65.1 -45.6 7.7 2.4 43.9 5 28 A A H X S+ 0 0 43 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.918 111.8 48.6 -63.0 -40.3 10.9 0.4 44.6 6 29 A A H X S+ 0 0 28 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.915 110.8 50.3 -64.5 -44.0 11.2 -0.7 41.0 7 30 A A H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.912 107.9 53.5 -59.6 -42.2 10.7 2.9 39.8 8 31 A E H X S+ 0 0 68 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.911 107.2 51.5 -62.3 -40.2 13.4 4.1 42.1 9 32 A R H X S+ 0 0 128 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.917 109.6 50.3 -60.3 -43.7 15.9 1.6 40.7 10 33 A Q H X S+ 0 0 66 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.863 107.1 53.5 -65.6 -34.7 15.1 2.8 37.2 11 34 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.895 107.5 51.6 -66.6 -36.1 15.7 6.4 38.2 12 35 A R H X S+ 0 0 136 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.926 110.0 49.5 -61.8 -45.4 19.1 5.4 39.6 13 36 A E H < S+ 0 0 109 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.907 109.5 51.7 -60.3 -42.7 19.8 3.7 36.2 14 37 A L H >< S+ 0 0 24 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.942 107.7 51.6 -59.5 -45.5 18.7 6.9 34.4 15 38 A E H >< S+ 0 0 19 -4,-2.4 3,-1.6 1,-0.3 5,-0.4 0.832 99.1 66.2 -60.4 -32.5 21.0 9.1 36.4 16 39 A S T 3< S+ 0 0 98 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.614 88.0 69.5 -67.6 -11.5 23.9 6.8 35.6 17 40 A T T < S+ 0 0 93 -3,-1.7 2,-0.3 -4,-0.4 -1,-0.3 0.529 103.4 38.5 -87.3 -4.1 23.7 7.8 32.0 18 41 A F S < S- 0 0 27 -3,-1.6 2,-1.4 -4,-0.2 -1,-0.0 -0.961 83.3-110.3-143.4 162.6 25.0 11.4 32.6 19 42 A D S S+ 0 0 109 -2,-0.3 224,-2.3 2,-0.1 225,-0.4 -0.622 88.5 56.7 -93.4 76.7 27.5 13.3 34.7 20 43 A G E S-A 242 0A 5 -2,-1.4 2,-0.4 -5,-0.4 222,-0.2 -0.921 84.3 -74.1-173.3-161.2 25.1 15.1 37.0 21 44 A R E -A 241 0A 55 220,-2.5 220,-1.9 -2,-0.3 2,-0.4 -0.953 22.9-154.8-126.7 142.1 22.3 14.7 39.5 22 45 A L E -A 240 0A 0 -2,-0.4 2,-0.5 218,-0.2 218,-0.2 -0.969 8.1-170.1-113.8 126.5 18.6 13.9 39.2 23 46 A G E +A 239 0A 0 216,-3.2 216,-2.9 -2,-0.4 2,-0.4 -0.979 20.5 168.0-115.9 123.0 16.2 15.1 41.9 24 47 A F E +AB 238 37A 0 13,-2.5 13,-2.3 -2,-0.5 2,-0.3 -0.994 21.6 170.9-144.7 137.2 12.8 13.5 41.5 25 48 A V E -AB 237 36A 0 212,-2.1 212,-2.7 -2,-0.4 2,-0.4 -0.975 3.9-179.1-139.1 132.8 9.5 13.1 43.4 26 49 A A E -AB 236 35A 0 9,-2.4 9,-2.6 -2,-0.3 2,-0.5 -1.000 12.3-172.2-122.3 133.4 6.2 11.7 42.0 27 50 A L E -AB 235 34A 20 208,-2.2 208,-2.5 -2,-0.4 2,-0.8 -0.971 21.3-148.0-131.9 119.1 3.3 11.6 44.5 28 51 A D E > -A 234 0A 12 5,-2.5 4,-2.5 -2,-0.5 5,-0.4 -0.765 19.2-153.0 -80.8 110.9 -0.1 10.0 44.0 29 52 A T T 4 S+ 0 0 28 204,-2.2 -1,-0.2 -2,-0.8 205,-0.1 0.730 85.5 53.5 -70.4 -17.6 -2.2 12.3 46.0 30 53 A A T 4 S+ 0 0 74 203,-0.3 -1,-0.2 1,-0.1 204,-0.1 0.925 124.5 20.9 -76.4 -44.6 -4.9 9.8 46.9 31 54 A T T 4 S- 0 0 94 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.598 96.2-124.3 -98.7 -18.0 -2.7 7.1 48.3 32 55 A G < + 0 0 41 -4,-2.5 -3,-0.1 1,-0.3 -2,-0.0 0.516 48.3 166.4 77.2 6.7 0.4 9.0 49.2 33 56 A A - 0 0 5 -5,-0.4 -5,-2.5 -6,-0.1 2,-0.4 -0.333 18.2-164.6 -55.1 131.7 2.5 6.6 47.0 34 57 A R E -B 27 0A 106 -7,-0.2 2,-0.5 -3,-0.1 -7,-0.2 -0.946 20.7-169.9-138.7 111.2 5.8 8.4 46.7 35 58 A I E +B 26 0A 0 -9,-2.6 -9,-2.4 -2,-0.4 2,-0.4 -0.869 24.5 173.4 -96.4 122.7 8.6 7.8 44.2 36 59 A A E -B 25 0A 16 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.992 24.6-179.1-139.7 146.0 11.7 9.7 45.2 37 60 A H E S-B 24 0A 32 -13,-2.3 -13,-2.5 -2,-0.4 -2,-0.0 -0.976 85.5 -11.5-139.2 122.7 15.4 10.1 44.2 38 61 A R S > S+ 0 0 86 -2,-0.3 3,-1.5 -15,-0.2 123,-0.2 0.857 83.0 164.0 53.3 41.8 17.7 12.5 46.0 39 62 A G T 3 + 0 0 10 1,-0.3 122,-2.6 121,-0.1 123,-0.4 0.764 67.7 42.4 -63.4 -28.3 14.5 13.9 47.6 40 63 A D T 3 S+ 0 0 139 120,-0.2 2,-0.3 119,-0.1 -1,-0.3 0.256 92.4 102.7-106.0 12.2 16.3 15.8 50.5 41 64 A E S < S- 0 0 65 -3,-1.5 2,-0.2 1,-0.0 120,-0.1 -0.722 74.2-113.6 -92.4 145.5 19.2 17.3 48.4 42 65 A R - 0 0 66 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.569 34.5-179.5 -79.9 141.7 19.2 20.9 47.3 43 66 A F E -E 158 0B 0 115,-2.5 115,-1.8 -2,-0.2 2,-0.4 -0.981 37.6-102.0-133.5 148.0 18.9 21.7 43.6 44 67 A P E -E 157 0B 14 0, 0.0 113,-0.2 0, 0.0 196,-0.2 -0.554 31.2-159.5 -71.1 123.3 18.9 25.1 41.8 45 68 A F > + 0 0 0 111,-1.7 3,-2.0 -2,-0.4 112,-0.1 0.718 17.7 178.8 -84.3 -17.5 15.3 25.7 41.0 46 69 A C G > - 0 0 0 110,-0.5 3,-1.8 100,-0.5 -1,-0.2 -0.174 69.9 -7.6 47.2-140.3 15.7 28.3 38.2 47 70 A S G > S+ 0 0 8 1,-0.3 3,-2.0 167,-0.2 -1,-0.3 0.573 116.2 85.1 -67.4 -7.5 12.4 29.4 36.6 48 71 A T G X> S+ 0 0 0 -3,-2.0 3,-1.6 1,-0.3 4,-0.5 0.789 77.7 71.6 -63.4 -22.4 10.4 26.8 38.6 49 72 A S H <> S+ 0 0 6 -3,-1.8 4,-2.2 1,-0.3 -1,-0.3 0.661 76.1 79.7 -60.2 -19.5 10.4 29.5 41.4 50 73 A K H <> S+ 0 0 2 -3,-2.0 4,-2.2 1,-0.2 -1,-0.3 0.764 86.0 60.0 -63.2 -24.2 8.0 31.5 39.2 51 74 A M H <> S+ 0 0 0 -3,-1.6 4,-2.2 -4,-0.3 -1,-0.2 0.942 106.8 44.1 -64.2 -47.6 5.2 29.2 40.5 52 75 A M H X S+ 0 0 0 -4,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.905 112.8 54.0 -62.9 -40.8 5.9 30.3 44.1 53 76 A L H X S+ 0 0 5 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.935 110.6 44.2 -57.0 -50.2 6.2 33.9 43.0 54 77 A C H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.839 109.4 55.8 -71.3 -32.5 2.8 33.9 41.4 55 78 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.913 107.5 51.1 -60.3 -42.4 1.2 32.0 44.3 56 79 A A H X S+ 0 0 8 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.898 110.0 48.7 -60.7 -42.0 2.4 34.8 46.5 57 80 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.926 111.8 49.5 -61.9 -46.7 0.9 37.5 44.2 58 81 A L H X S+ 0 0 2 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.924 108.5 53.3 -60.1 -41.9 -2.4 35.5 44.1 59 82 A A H >X S+ 0 0 38 -4,-2.6 3,-0.6 1,-0.2 4,-0.5 0.903 109.3 48.3 -58.0 -46.4 -2.4 35.4 47.9 60 83 A R H >< S+ 0 0 100 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.882 107.2 57.3 -60.9 -37.6 -1.9 39.2 48.1 61 84 A S H >< S+ 0 0 4 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.728 91.5 67.3 -68.6 -23.0 -4.8 39.6 45.7 62 85 A A H << S+ 0 0 59 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.800 104.0 48.2 -65.7 -24.2 -7.2 37.7 47.9 63 86 A G T << S+ 0 0 71 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.370 133.6 13.5-100.6 4.4 -6.7 40.8 50.2 64 87 A E X - 0 0 79 -3,-1.2 3,-2.3 -4,-0.1 4,-0.3 -0.431 69.5-170.7-170.3 87.3 -7.3 43.1 47.3 65 88 A P G > S+ 0 0 102 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.841 83.8 64.3 -56.8 -41.4 -8.9 41.5 44.1 66 89 A A G >> S+ 0 0 77 1,-0.3 3,-1.0 2,-0.2 4,-0.6 0.607 80.2 88.2 -51.5 -16.3 -8.5 44.6 41.8 67 90 A L G X4 S+ 0 0 5 -3,-2.3 3,-1.2 1,-0.2 29,-0.4 0.887 82.0 57.5 -51.4 -41.6 -4.7 44.0 42.4 68 91 A L G <4 S+ 0 0 24 -3,-1.8 29,-2.6 -4,-0.3 30,-0.3 0.789 106.3 48.2 -66.0 -23.4 -4.8 41.7 39.4 69 92 A Q G <4 S+ 0 0 137 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.490 82.0 121.1 -92.4 -3.2 -6.2 44.4 37.2 70 93 A R << - 0 0 121 -3,-1.2 26,-1.8 -4,-0.6 2,-0.4 -0.406 62.5-130.9 -63.4 131.1 -3.6 47.0 38.3 71 94 A R E -G 95 0C 143 24,-0.2 2,-0.6 -2,-0.2 24,-0.3 -0.711 12.9-155.0 -86.7 130.5 -1.6 48.2 35.2 72 95 A I E -G 94 0C 38 22,-3.0 22,-1.8 -2,-0.4 2,-1.2 -0.934 1.2-160.0-104.2 112.3 2.2 48.3 35.6 73 96 A A - 0 0 91 -2,-0.6 17,-0.1 20,-0.2 2,-0.1 -0.692 24.6-180.0 -96.2 79.6 3.8 50.9 33.2 74 97 A Y - 0 0 16 -2,-1.2 17,-0.6 1,-0.1 2,-0.2 -0.248 18.3-120.2 -81.9 167.8 7.3 49.4 33.1 75 98 A A > - 0 0 52 15,-0.1 3,-1.5 1,-0.1 4,-0.4 -0.709 20.8-111.8-113.2 161.6 10.2 50.9 31.1 76 99 A K G > S+ 0 0 170 1,-0.3 3,-1.6 -2,-0.2 -1,-0.1 0.859 117.3 63.7 -56.8 -37.3 12.5 49.8 28.4 77 100 A G G 3 S+ 0 0 78 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.701 94.2 60.7 -62.6 -21.4 15.3 49.8 31.1 78 101 A D G < S+ 0 0 71 -3,-1.5 -1,-0.3 2,-0.0 2,-0.2 0.688 82.4 109.6 -73.7 -18.8 13.5 47.1 33.0 79 102 A L < + 0 0 51 -3,-1.6 2,-0.2 -4,-0.4 -3,-0.0 -0.456 41.2 169.8 -75.0 129.6 13.8 44.7 30.0 80 103 A I - 0 0 53 -2,-0.2 30,-0.3 1,-0.2 3,-0.2 -0.766 42.2 -67.6-125.9 172.3 16.2 41.7 30.4 81 104 A R S S+ 0 0 187 -2,-0.2 28,-0.3 1,-0.2 -1,-0.2 -0.099 111.6 34.1 -61.2 158.9 16.8 38.7 28.2 82 105 A Y S S+ 0 0 163 1,-0.1 27,-2.5 27,-0.1 -1,-0.2 0.929 78.0 129.2 64.4 51.2 14.2 35.9 27.8 83 106 A S > + 0 0 2 25,-0.3 4,-2.0 26,-0.2 5,-0.3 -0.574 19.7 161.4-133.1 63.1 11.2 38.3 28.1 84 107 A P T 4 S+ 0 0 49 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.683 76.1 35.8 -69.0 -20.5 9.0 37.5 25.0 85 108 A I T >> S+ 0 0 32 2,-0.1 4,-1.3 3,-0.1 3,-0.6 0.845 116.0 48.5 -95.0 -50.0 5.8 39.1 26.3 86 109 A T H 3> S+ 0 0 0 1,-0.3 4,-0.8 2,-0.2 3,-0.3 0.870 108.5 55.7 -61.7 -35.2 7.0 42.2 28.2 87 110 A E H 3< S+ 0 0 102 -4,-2.0 3,-0.3 1,-0.2 -1,-0.3 0.844 107.4 50.8 -62.9 -33.2 9.3 43.2 25.3 88 111 A Q H <4 S+ 0 0 144 -3,-0.6 -1,-0.2 -5,-0.3 -2,-0.2 0.785 116.7 38.4 -74.3 -28.7 6.2 43.2 23.0 89 112 A H H >X S+ 0 0 92 -4,-1.3 3,-2.2 -3,-0.3 4,-1.3 0.326 77.4 131.4-111.0 7.0 4.0 45.4 25.3 90 113 A V T 3< S+ 0 0 44 -4,-0.8 -15,-0.1 1,-0.3 -17,-0.1 -0.351 73.4 33.5 -61.8 135.8 6.5 47.9 26.6 91 114 A G T 34 S+ 0 0 80 -17,-0.6 -1,-0.3 -2,-0.0 -2,-0.1 0.011 119.0 55.1 103.9 -28.3 5.0 51.4 26.2 92 115 A A T <4 S- 0 0 63 -3,-2.2 -2,-0.2 1,-0.1 -3,-0.0 0.587 98.4-143.2-102.4 -22.0 1.5 50.1 26.8 93 116 A G < - 0 0 4 -4,-1.3 2,-0.3 -19,-0.2 -20,-0.2 -0.012 8.6-114.8 78.4 174.1 2.2 48.4 30.1 94 117 A M E -G 72 0C 4 -22,-1.8 -22,-3.0 -24,-0.0 2,-0.1 -0.992 20.3-110.9-144.0 149.9 0.6 45.1 31.3 95 118 A S E > -G 71 0C 5 -2,-0.3 4,-2.3 -24,-0.3 -24,-0.2 -0.392 33.6-110.1 -72.5 162.6 -1.8 44.2 34.1 96 119 A V H > S+ 0 0 0 -26,-1.8 4,-2.3 -29,-0.4 5,-0.2 0.922 121.7 52.0 -58.3 -41.7 -0.5 42.2 37.1 97 120 A A H > S+ 0 0 18 -29,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.923 108.9 50.1 -61.3 -41.6 -2.6 39.2 35.9 98 121 A E H > S+ 0 0 94 -30,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.870 109.4 51.6 -64.3 -38.5 -1.0 39.5 32.4 99 122 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.899 109.7 49.7 -64.2 -41.7 2.5 39.6 34.0 100 123 A C H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.942 111.8 47.5 -60.3 -48.1 1.6 36.4 36.0 101 124 A A H X S+ 0 0 20 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.911 113.1 50.0 -62.2 -39.0 0.4 34.6 32.8 102 125 A A H X S+ 0 0 3 -4,-2.3 4,-1.8 2,-0.2 6,-1.8 0.917 112.3 45.4 -66.1 -43.4 3.5 35.8 30.9 103 126 A T H X S+ 0 0 0 -4,-2.4 4,-0.5 4,-0.2 -1,-0.2 0.899 120.5 40.0 -70.7 -34.7 6.0 34.6 33.6 104 127 A L H < S+ 0 0 1 -4,-2.4 108,-0.3 -5,-0.2 -2,-0.2 0.887 125.0 33.2 -78.2 -39.9 4.2 31.2 34.0 105 128 A Q H < S+ 0 0 32 -4,-2.8 87,-2.1 -5,-0.2 88,-0.3 0.727 135.0 22.3 -94.7 -24.0 3.4 30.4 30.4 106 129 A Y H < S- 0 0 98 -4,-1.8 -3,-0.2 -5,-0.4 3,-0.2 0.308 97.9-120.6-122.3 2.2 6.3 32.0 28.5 107 130 A S < - 0 0 22 -4,-0.5 -4,-0.2 -5,-0.2 2,-0.2 0.781 41.0-171.3 62.7 30.3 8.9 32.1 31.4 108 131 A D > - 0 0 0 -6,-1.8 4,-1.6 1,-0.2 -25,-0.3 -0.328 12.9-164.3 -64.9 119.0 9.2 35.9 31.0 109 132 A N H > S+ 0 0 8 -27,-2.5 4,-2.1 -28,-0.3 34,-0.2 0.886 86.0 50.8 -75.9 -39.1 12.1 37.1 33.1 110 133 A T H > S+ 0 0 0 -30,-0.3 4,-2.4 2,-0.2 5,-0.2 0.924 108.8 54.4 -62.9 -42.8 11.2 40.8 33.2 111 134 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.930 107.3 50.4 -56.7 -43.4 7.7 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