==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-APR-00 1ES3 . COMPND 2 MOLECULE: DD-TRANSPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; . AUTHOR E.FONZE,P.CHARLIER . 260 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 70.4 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 . 49 18.8 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 . 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 . 18 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.2 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 . 2 0.8 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 1 0 0 1 0 2 1 2 0 0 0 0 0 1 1 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 . 2 2 2 1 0 2 0 1 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 1 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 3 A K 0 0 164 0, 0.0 2,-0.2 0, 0.0 252,-0.1 0.000 360.0 360.0 360.0 131.2 8.5 -9.3 27.8 2 4 A P - 0 0 25 0, 0.0 2,-0.5 0, 0.0 251,-0.0 -0.486 360.0-131.1 -77.3 144.4 8.1 -6.7 30.6 3 5 A T - 0 0 116 -2,-0.2 2,-0.3 249,-0.0 249,-0.1 -0.829 29.6-173.1 -95.1 128.4 7.8 -3.0 29.7 4 6 A I - 0 0 7 -2,-0.5 242,-0.1 2,-0.2 241,-0.0 -0.890 32.5-133.0-124.2 154.7 10.2 -0.8 31.7 5 7 A A S S+ 0 0 45 -2,-0.3 -1,-0.1 240,-0.3 241,-0.1 0.878 80.4 94.7 -70.9 -38.2 10.7 3.0 32.0 6 8 A A - 0 0 0 239,-0.2 234,-0.2 1,-0.1 -2,-0.2 -0.165 69.7-143.7 -55.3 146.6 14.4 2.8 31.7 7 9 A V S S+ 0 0 65 231,-0.9 2,-0.4 232,-0.8 232,-0.2 0.608 87.3 43.5 -88.6 -13.5 15.9 3.3 28.2 8 10 A G E S+A 238 0A 0 230,-1.6 230,-2.7 17,-0.1 2,-0.3 -1.000 70.4 161.0-133.1 134.4 18.6 0.7 28.7 9 11 A G E +AB 237 23A 0 14,-2.5 14,-1.6 -2,-0.4 2,-0.3 -0.997 6.8 162.9-155.0 150.5 18.2 -2.7 30.4 10 12 A Y E +AB 236 22A 5 226,-1.9 226,-2.4 -2,-0.3 2,-0.3 -0.976 3.9 175.0-164.6 151.6 19.8 -6.1 30.7 11 13 A A E +AB 235 21A 0 10,-1.4 9,-2.8 -2,-0.3 10,-1.7 -0.970 5.6 177.2-160.4 147.4 19.8 -9.2 32.8 12 14 A M E -AB 234 19A 10 222,-2.8 222,-2.4 -2,-0.3 2,-0.8 -0.938 43.6 -90.8-147.9 167.8 21.4 -12.6 32.7 13 15 A N E > -A 233 0A 24 5,-2.1 4,-3.2 -2,-0.3 5,-0.3 -0.766 37.7-151.5 -80.7 113.9 21.7 -15.9 34.6 14 16 A N T 4 S+ 0 0 46 218,-2.5 -1,-0.2 -2,-0.8 219,-0.1 0.865 91.1 47.7 -58.1 -35.8 24.7 -15.0 36.8 15 17 A G T 4 S+ 0 0 67 217,-0.5 -1,-0.2 1,-0.1 218,-0.1 0.944 126.0 23.5 -71.8 -47.9 25.8 -18.7 36.9 16 18 A T T 4 S- 0 0 93 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.739 93.2-129.1 -91.9 -27.4 25.5 -19.6 33.3 17 19 A G < + 0 0 41 -4,-3.2 2,-0.5 1,-0.3 -3,-0.1 0.536 53.5 152.2 88.4 7.3 25.9 -16.2 31.6 18 20 A T - 0 0 83 -5,-0.3 -5,-2.1 1,-0.1 -1,-0.3 -0.607 48.5-118.2 -78.6 123.4 22.7 -16.8 29.5 19 21 A T E +B 12 0A 61 -2,-0.5 -7,-0.3 -7,-0.2 3,-0.1 -0.347 36.4 170.6 -61.8 134.1 21.0 -13.6 28.5 20 22 A L E + 0 0 23 -9,-2.8 2,-0.4 1,-0.3 -8,-0.2 0.705 62.5 25.4-114.0 -38.0 17.5 -13.3 29.9 21 23 A Y E -B 11 0A 8 -10,-1.7 -10,-1.4 -20,-0.0 2,-0.3 -0.986 59.6-176.1-136.0 145.5 16.4 -9.7 29.2 22 24 A T E +B 10 0A 55 -2,-0.4 -12,-0.2 -12,-0.2 2,-0.2 -0.994 17.6 150.9-145.7 133.9 17.4 -7.2 26.6 23 25 A K E S-B 9 0A 68 -14,-1.6 -14,-2.5 -2,-0.3 -2,-0.0 -0.686 91.1 -31.4-159.9 98.3 16.6 -3.5 25.8 24 26 A A S > S+ 0 0 40 -16,-0.2 3,-1.2 -2,-0.2 -14,-0.1 0.936 82.7 168.5 51.5 47.3 19.2 -1.4 24.1 25 27 A A T 3 + 0 0 4 1,-0.2 128,-2.0 127,-0.1 129,-0.4 0.667 69.5 39.4 -66.3 -18.9 21.7 -3.6 25.9 26 28 A D T 3 S+ 0 0 74 126,-0.1 2,-0.6 125,-0.1 -1,-0.2 0.082 85.4 109.8-122.0 25.7 24.7 -2.4 23.9 27 29 A T < - 0 0 66 -3,-1.2 2,-0.1 1,-0.0 123,-0.1 -0.899 68.0-125.9-101.9 121.1 24.0 1.3 23.6 28 30 A R + 0 0 120 -2,-0.6 2,-0.3 123,-0.1 123,-0.2 -0.386 38.0 160.1 -70.9 144.2 26.4 3.4 25.7 29 31 A R E -E 150 0B 79 121,-2.6 121,-2.0 -2,-0.1 2,-0.2 -0.864 47.1 -70.9-147.9 177.7 25.0 5.9 28.1 30 32 A S E -E 149 0B 38 187,-0.3 119,-0.2 -2,-0.3 209,-0.2 -0.559 34.7-161.2 -78.3 141.8 26.3 7.8 31.2 31 33 A T > - 0 0 0 117,-1.1 3,-1.4 -2,-0.2 2,-0.2 0.802 14.8-176.8 -94.2 -33.6 26.8 5.7 34.3 32 34 A G G > S- 0 0 8 116,-0.4 3,-1.1 110,-0.3 -1,-0.2 -0.485 70.2 -12.7 69.8-138.9 26.8 8.3 37.0 33 35 A S G > S+ 0 0 12 181,-1.5 3,-1.7 1,-0.3 -1,-0.2 0.449 115.0 86.2 -78.3 -2.3 27.5 6.8 40.4 34 36 A T G X S+ 0 0 1 -3,-1.4 3,-1.6 1,-0.3 4,-0.3 0.669 75.5 81.4 -67.3 -12.4 27.0 3.1 39.4 35 37 A T G X> S+ 0 0 2 -3,-1.1 3,-1.5 1,-0.3 4,-1.0 0.784 70.5 75.0 -60.2 -30.2 30.6 3.8 38.5 36 38 A K H <> S+ 0 0 2 -3,-1.7 4,-2.1 105,-0.4 -1,-0.3 0.646 79.6 73.3 -60.3 -14.9 31.5 3.1 42.2 37 39 A I H <> S+ 0 0 1 -3,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.900 99.6 44.5 -65.7 -38.9 30.9 -0.6 41.5 38 40 A M H <> S+ 0 0 2 -3,-1.5 4,-2.9 -4,-0.3 5,-0.2 0.797 107.7 57.9 -75.4 -29.1 34.2 -0.7 39.6 39 41 A T H X S+ 0 0 0 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.949 109.3 45.7 -64.4 -47.4 36.0 1.4 42.2 40 42 A A H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.934 112.6 51.8 -58.8 -48.5 35.1 -1.3 44.8 41 43 A K H X S+ 0 0 38 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.931 110.6 46.1 -54.3 -53.3 36.2 -4.0 42.3 42 44 A V H >< S+ 0 0 8 -4,-2.9 3,-0.6 2,-0.2 4,-0.3 0.902 113.1 50.7 -59.2 -41.8 39.6 -2.5 41.6 43 45 A V H >< S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.964 109.6 49.3 -59.7 -53.9 40.3 -1.9 45.3 44 46 A L H 3< S+ 0 0 19 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.616 107.7 57.1 -63.4 -12.5 39.4 -5.5 46.2 45 47 A A T << S+ 0 0 74 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.422 78.5 119.0 -99.0 0.0 41.7 -6.8 43.5 46 48 A Q X - 0 0 34 -3,-2.0 3,-0.9 -4,-0.3 -3,-0.0 -0.404 60.6-144.2 -68.0 142.6 44.8 -5.0 44.9 47 49 A S T 3 S+ 0 0 126 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.789 103.3 52.7 -74.6 -29.4 47.7 -7.3 45.8 48 50 A N T 3 S+ 0 0 97 58,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.105 82.2 143.8 -96.8 32.6 48.5 -5.0 48.7 49 51 A L < + 0 0 48 -3,-0.9 2,-0.3 -5,-0.1 3,-0.1 -0.593 19.8 170.2 -79.2 133.7 44.9 -5.1 50.0 50 52 A N > - 0 0 89 -2,-0.3 3,-2.0 3,-0.1 33,-0.4 -0.859 20.3-161.7-144.4 101.6 44.5 -5.0 53.8 51 53 A L T 3 S+ 0 0 34 -2,-0.3 33,-2.2 1,-0.3 34,-0.3 0.718 92.3 54.1 -57.6 -23.1 40.9 -4.5 54.9 52 54 A D T 3 S+ 0 0 99 31,-0.2 2,-0.3 30,-0.2 -1,-0.3 0.360 78.3 119.5 -96.0 6.2 42.2 -3.4 58.4 53 55 A A < - 0 0 17 -3,-2.0 30,-2.0 1,-0.1 2,-0.2 -0.560 60.2-133.5 -73.4 128.5 44.5 -0.7 57.1 54 56 A K E -G 82 0C 118 -2,-0.3 2,-0.4 28,-0.2 28,-0.3 -0.591 16.1-161.2 -87.4 147.0 43.5 2.8 58.5 55 57 A V E -G 81 0C 12 26,-2.5 26,-2.8 -2,-0.2 2,-0.5 -0.988 17.1-130.4-128.0 131.2 43.2 5.9 56.3 56 58 A T E -G 80 0C 51 -2,-0.4 2,-0.6 24,-0.2 24,-0.2 -0.690 27.5-122.3 -81.4 128.8 43.2 9.5 57.6 57 59 A I - 0 0 2 22,-2.8 21,-2.8 -2,-0.5 2,-0.2 -0.609 32.2-149.8 -73.2 118.4 40.3 11.5 56.2 58 60 A Q >> - 0 0 72 -2,-0.6 4,-1.1 19,-0.2 3,-0.9 -0.549 23.4-117.3 -88.9 155.5 41.9 14.4 54.5 59 61 A K H 3> S+ 0 0 127 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.836 112.4 67.7 -57.2 -33.4 40.3 17.9 54.1 60 62 A A H 3> S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.864 94.8 53.7 -55.8 -42.5 40.4 17.2 50.3 61 63 A Y H <> S+ 0 0 4 -3,-0.9 4,-1.4 1,-0.2 -1,-0.2 0.932 112.3 45.1 -59.3 -46.2 37.8 14.4 50.5 62 64 A S H X S+ 0 0 38 -4,-1.1 4,-1.5 1,-0.2 -2,-0.2 0.926 111.5 49.9 -63.6 -49.4 35.4 16.7 52.3 63 65 A D H X S+ 0 0 70 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.811 105.8 61.1 -60.9 -30.5 35.9 19.8 50.0 64 66 A Y H X S+ 0 0 42 -4,-1.8 4,-1.4 -5,-0.2 6,-0.3 0.930 102.7 46.9 -63.0 -50.0 35.3 17.5 47.0 65 67 A V H X>S+ 0 0 4 -4,-1.4 5,-1.5 1,-0.2 4,-0.8 0.874 115.8 48.3 -62.2 -35.7 31.8 16.5 48.0 66 68 A V H ><5S+ 0 0 98 -4,-1.5 3,-0.7 2,-0.2 -2,-0.2 0.953 108.2 51.3 -69.0 -50.5 31.1 20.1 48.7 67 69 A A H 3<5S+ 0 0 80 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.734 125.1 30.2 -59.7 -22.4 32.5 21.4 45.4 68 70 A N H 3<5S- 0 0 71 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.400 97.7-131.2-117.6 1.5 30.4 18.9 43.6 69 71 A N T <<5 + 0 0 154 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.865 53.5 165.1 48.4 38.4 27.4 18.6 45.9 70 72 A A < - 0 0 19 -5,-1.5 -1,-0.1 -6,-0.3 2,-0.1 -0.321 45.3 -86.8 -82.5 165.5 27.9 14.9 45.6 71 73 A S - 0 0 64 23,-0.1 25,-2.4 -3,-0.1 26,-0.3 -0.403 55.6-170.6 -67.7 149.4 26.5 12.1 47.8 72 74 A Q - 0 0 68 23,-0.3 23,-0.1 24,-0.2 -10,-0.0 -0.905 40.3-137.3-143.5 170.0 28.7 11.4 50.9 73 75 A A - 0 0 0 -2,-0.3 22,-0.1 21,-0.1 17,-0.1 0.260 54.1-115.7-107.5 5.1 29.3 9.1 53.9 74 76 A H - 0 0 104 1,-0.2 2,-0.2 117,-0.1 118,-0.1 0.832 45.5-177.2 63.2 36.6 29.9 12.1 56.2 75 77 A L - 0 0 11 1,-0.1 2,-0.5 116,-0.0 -1,-0.2 -0.443 21.0-131.0 -67.4 135.1 33.6 11.2 56.9 76 78 A I > - 0 0 68 -2,-0.2 3,-2.5 1,-0.1 -19,-0.3 -0.797 19.9-113.6 -97.4 123.3 35.2 13.6 59.4 77 79 A V T 3 S+ 0 0 63 -2,-0.5 -19,-0.2 1,-0.3 107,-0.2 -0.210 103.4 25.9 -51.3 133.0 38.5 15.2 58.5 78 80 A G T 3 S+ 0 0 4 -21,-2.8 -1,-0.3 1,-0.4 -20,-0.1 0.054 92.8 123.4 98.6 -25.2 41.2 13.9 60.9 79 81 A D < - 0 0 2 -3,-2.5 -22,-2.8 -22,-0.1 2,-0.6 -0.349 60.0-131.8 -70.5 150.4 39.4 10.6 61.6 80 82 A K E -GH 56 182C 73 102,-2.7 102,-1.8 -24,-0.2 2,-0.4 -0.928 29.9-177.7-104.9 119.3 41.2 7.3 60.9 81 83 A V E -G 55 0C 1 -26,-2.8 -26,-2.5 -2,-0.6 100,-0.1 -0.961 23.2-121.4-123.1 135.3 38.9 4.9 59.0 82 84 A T E > -G 54 0C 16 -2,-0.4 4,-2.0 -28,-0.3 -28,-0.2 -0.350 23.1-118.2 -72.9 154.3 39.7 1.3 57.9 83 85 A V H > S+ 0 0 0 -30,-2.0 4,-1.2 -33,-0.4 -31,-0.2 0.856 117.4 55.6 -58.2 -35.1 39.6 0.3 54.3 84 86 A R H > S+ 0 0 75 -33,-2.2 4,-1.0 1,-0.2 3,-0.3 0.914 106.8 49.0 -65.0 -41.7 36.8 -2.1 55.1 85 87 A Q H > S+ 0 0 16 -34,-0.3 4,-1.8 1,-0.2 3,-0.4 0.869 106.9 56.1 -65.6 -35.6 34.7 0.8 56.6 86 88 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.803 101.1 58.4 -65.9 -29.2 35.4 2.9 53.5 87 89 A L H X S+ 0 0 4 -4,-1.2 4,-1.9 -3,-0.3 -1,-0.2 0.819 107.8 45.9 -71.2 -29.2 33.9 0.0 51.4 88 90 A Y H X S+ 0 0 26 -4,-1.0 4,-2.3 -3,-0.4 6,-0.3 0.822 112.3 51.1 -78.9 -34.1 30.6 0.3 53.3 89 91 A G H < S+ 0 0 0 -4,-1.8 6,-2.5 2,-0.2 -2,-0.2 0.810 112.2 47.9 -71.6 -30.0 30.7 4.1 53.0 90 92 A L H < S+ 0 0 0 -4,-1.8 -2,-0.2 4,-0.2 4,-0.2 0.950 122.2 30.5 -74.6 -50.1 31.2 3.8 49.2 91 93 A M H < S+ 0 0 4 -4,-1.9 106,-0.3 3,-0.2 121,-0.3 0.778 118.7 46.8 -84.8 -30.1 28.5 1.2 48.5 92 94 A L S < S+ 0 0 0 -4,-2.3 105,-1.9 -5,-0.2 -3,-0.2 0.986 130.4 13.9 -79.7 -63.3 25.8 1.9 51.1 93 95 A P S S- 0 0 18 0, 0.0 -21,-0.1 0, 0.0 -2,-0.1 0.505 105.1-114.7 -88.8 -2.9 25.2 5.7 51.1 94 96 A S - 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0 0 0 -2,-0.3 4,-2.2 -123,-0.2 5,-0.3 -0.933 34.0-100.9-142.5 162.5 26.0 -0.0 28.6 152 154 A P H > S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 -142,-0.2 0.838 121.7 46.6 -57.2 -31.8 23.5 -2.3 30.4 153 155 A R H > S+ 0 0 58 -128,-2.0 4,-2.3 2,-0.2 5,-0.2 0.934 112.1 46.7 -76.0 -47.7 25.5 -5.4 29.3 154 156 A D H > S+ 0 0 7 -129,-0.4 4,-1.8 1,-0.2 -1,-0.1 0.914 113.7 49.4 -59.2 -45.3 29.0 -4.2 30.1 155 157 A L H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.847 109.2 51.6 -63.7 -37.7 28.0 -3.0 33.6 156 158 A T H X S+ 0 0 0 -4,-1.1 4,-3.1 -5,-0.3 5,-0.2 0.939 110.1 49.8 -65.4 -45.0 26.2 -6.3 34.4 157 159 A K H X S+ 0 0 89 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.850 109.9 51.2 -61.7 -34.2 29.3 -8.2 33.4 158 160 A I H X S+ 0 0 1 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.908 112.3 46.3 -70.0 -40.6 31.4 -5.8 35.7 159 161 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 3,-0.2 0.919 110.0 52.7 -66.6 -44.7 29.0 -6.5 38.6 160 162 A S H < S+ 0 0 21 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.907 109.8 50.2 -57.6 -40.8 29.0 -10.3 38.0 161 163 A S H >< S+ 0 0 25 -4,-1.8 3,-0.5 -5,-0.2 -1,-0.2 0.819 112.0 46.7 -67.4 -31.7 32.8 -10.2 38.1 162 164 A A H >< S+ 0 0 4 -4,-1.4 3,-2.2 -3,-0.2 7,-0.2 0.819 100.1 66.3 -79.6 -32.2 32.8 -8.2 41.4 163 165 A M T 3< S+ 0 0 10 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.539 85.3 76.0 -66.0 -5.0 30.2 -10.5 43.0 164 166 A K T < S+ 0 0 170 -3,-0.5 2,-0.5 -5,-0.2 -1,-0.3 0.666 80.2 81.2 -79.1 -17.7 32.9 -13.2 42.8 165 167 A N S <> S- 0 0 51 -3,-2.2 4,-2.1 1,-0.1 5,-0.1 -0.803 74.2-148.1 -92.6 127.9 34.6 -11.5 45.7 166 168 A S H > S+ 0 0 68 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.809 97.1 53.1 -64.9 -34.4 33.1 -12.5 49.1 167 169 A T H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.895 108.6 51.9 -68.8 -37.0 33.8 -9.1 50.8 168 170 A F H > S+ 0 0 4 -6,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.953 111.0 47.1 -61.4 -49.4 32.0 -7.4 47.9 169 171 A R H X S+ 0 0 104 -4,-2.1 4,-1.0 -7,-0.2 -1,-0.2 0.871 110.2 53.0 -60.2 -40.0 29.0 -9.6 48.3 170 172 A T H < S+ 0 0 61 -4,-2.1 3,-0.5 2,-0.2 4,-0.3 0.958 113.4 43.3 -60.4 -49.9 28.9 -9.1 52.1 171 173 A V H >< S+ 0 0 5 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.955 109.2 54.3 -58.5 -59.0 28.9 -5.3 51.7 172 174 A V H 3< S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.660 108.2 49.8 -55.2 -22.1 26.4 -5.0 48.9 173 175 A K T 3< S+ 0 0 106 -4,-1.0 2,-0.4 -3,-0.5 -1,-0.3 0.461 84.6 109.9 -99.2 0.3 23.7 -7.0 50.8 174 176 A T < - 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