==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-JUL-11 3SZZ . COMPND 2 MOLECULE: PHOSPHONOACETATE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR V.AGARWAL,S.K.NAIR . 413 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 26 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 0 2 1 5 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 3 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 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 1 0 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 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 4 A M 0 0 235 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.6 2.2 40.4 66.0 2 5 A S - 0 0 106 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.530 360.0-113.6 -77.9 147.1 0.6 41.4 62.7 3 6 A K - 0 0 199 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.469 29.2-115.7 -78.2 152.5 1.2 39.2 59.7 4 7 A I + 0 0 111 -2,-0.1 11,-2.6 11,-0.1 2,-0.3 -0.740 43.8 160.2 -93.1 136.2 3.2 40.6 56.8 5 8 A S E -A 14 0A 39 -2,-0.4 2,-0.4 9,-0.3 7,-0.1 -0.966 34.6-138.1-148.4 167.9 1.6 41.1 53.4 6 9 A V E -A 13 0A 12 7,-2.5 7,-3.4 -2,-0.3 2,-0.5 -0.999 20.2-148.2-127.4 128.1 1.7 42.9 50.0 7 10 A T E +A 12 0A 84 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.892 22.2 171.6-103.9 127.3 -1.5 44.4 48.5 8 11 A V E > -A 11 0A 4 3,-2.6 3,-2.1 -2,-0.5 102,-0.1 -0.999 65.5 -14.1-137.4 128.0 -1.7 44.4 44.7 9 12 A N T 3 S- 0 0 51 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.877 129.8 -49.7 45.4 46.0 -4.7 45.3 42.6 10 13 A G T 3 S+ 0 0 78 1,-0.2 2,-0.4 66,-0.0 -1,-0.3 0.529 116.7 108.7 77.2 7.3 -7.1 45.0 45.6 11 14 A R E < -A 8 0A 55 -3,-2.1 -3,-2.6 2,-0.0 2,-0.7 -0.952 62.5-135.2-121.8 139.4 -5.8 41.6 46.8 12 15 A R E -A 7 0A 162 -2,-0.4 -5,-0.2 -5,-0.2 -3,-0.0 -0.820 16.6-164.0 -98.5 114.6 -3.7 40.9 49.9 13 16 A Y E -A 6 0A 0 -7,-3.4 -7,-2.5 -2,-0.7 393,-0.1 -0.851 16.5-134.6 -99.0 115.2 -0.8 38.5 49.4 14 17 A P E -A 5 0A 34 0, 0.0 -9,-0.3 0, 0.0 398,-0.1 -0.343 34.3 -97.9 -63.4 149.1 0.7 37.1 52.6 15 18 A W - 0 0 72 -11,-2.6 2,-0.4 1,-0.1 -11,-0.1 -0.543 40.9-120.0 -69.9 129.0 4.5 37.2 52.7 16 19 A P - 0 0 3 0, 0.0 397,-0.2 0, 0.0 4,-0.1 -0.583 17.9-162.9 -77.7 126.9 5.9 33.7 51.7 17 20 A R S S+ 0 0 214 395,-1.6 396,-0.2 -2,-0.4 395,-0.1 0.825 85.2 27.5 -73.7 -35.1 8.0 32.0 54.3 18 21 A V S S- 0 0 32 394,-0.9 222,-0.1 391,-0.1 221,-0.1 -0.811 115.2 -68.8-116.9 164.7 9.4 29.7 51.7 19 22 A P - 0 0 32 0, 0.0 222,-2.8 0, 0.0 2,-0.5 -0.261 46.8-146.9 -56.0 136.9 9.8 30.4 47.9 20 23 A A E -bc 201 241B 1 180,-2.6 182,-2.2 220,-0.2 2,-0.4 -0.943 19.6-175.8-111.1 122.0 6.4 30.7 46.1 21 24 A I E -bc 202 242B 0 220,-3.0 222,-2.5 -2,-0.5 2,-0.4 -0.948 16.3-167.8-122.7 134.4 6.4 29.5 42.5 22 25 A A E -bc 203 243B 0 180,-2.1 182,-2.2 -2,-0.4 2,-0.5 -0.996 10.4-161.6-115.0 132.7 3.7 29.5 39.8 23 26 A V E -bc 204 244B 0 220,-2.8 222,-2.7 -2,-0.4 2,-0.8 -0.957 4.6-155.4-111.6 123.2 4.4 27.4 36.7 24 27 A C E -bc 205 245B 0 180,-3.2 2,-1.1 -2,-0.5 182,-1.0 -0.906 2.7-161.6 -99.4 109.3 2.3 28.2 33.6 25 28 A L > - 0 0 1 220,-3.1 3,-2.0 -2,-0.8 223,-0.3 -0.798 26.2-131.7 -88.1 95.9 2.1 25.2 31.4 26 29 A D T 3 S- 0 0 4 -2,-1.1 185,-0.2 1,-0.3 181,-0.2 -0.221 80.4 -3.5 -57.3 131.1 1.1 26.9 28.1 27 30 A G T 3 S+ 0 0 0 221,-0.3 2,-2.2 1,-0.2 -1,-0.3 0.614 84.8 162.5 66.9 15.1 -1.9 25.2 26.4 28 31 A C < - 0 0 0 -3,-2.0 -1,-0.2 220,-0.2 -3,-0.1 -0.448 22.2-164.1 -77.4 77.0 -1.9 22.4 29.0 29 32 A E >> - 0 0 21 -2,-2.2 3,-2.2 1,-0.1 4,-0.6 -0.371 32.6-116.1 -45.7 132.3 -5.4 20.9 28.5 30 33 A P H >> S+ 0 0 16 0, 0.0 4,-1.8 0, 0.0 3,-0.7 0.824 112.7 69.5 -51.7 -31.9 -5.9 18.8 31.7 31 34 A A H 3> S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.765 88.1 64.3 -57.1 -31.1 -6.0 15.7 29.5 32 35 A Y H <> S+ 0 0 0 -3,-2.2 4,-2.0 2,-0.2 185,-0.2 0.924 106.7 41.7 -56.9 -47.8 -2.2 16.1 28.8 33 36 A L H S+ 0 0 0 -4,-2.0 5,-2.2 2,-0.2 6,-0.5 0.880 114.6 48.6 -67.7 -39.4 1.3 11.3 31.0 37 40 A I H ><5S+ 0 0 18 -4,-2.9 3,-2.1 4,-0.2 5,-0.3 0.955 110.7 51.3 -62.4 -48.0 0.5 10.3 34.6 38 41 A D H 3<5S+ 0 0 137 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.789 104.6 57.4 -60.8 -29.8 -1.4 7.2 33.5 39 42 A A T 3<5S- 0 0 56 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.391 118.7-112.4 -82.7 3.2 1.6 6.2 31.3 40 43 A G T < 5S+ 0 0 58 -3,-2.1 -3,-0.2 -5,-0.1 -2,-0.1 0.595 85.3 118.8 79.9 14.9 3.8 6.2 34.4 41 44 A L < + 0 0 42 -5,-2.2 -4,-0.2 1,-0.2 3,-0.1 0.513 64.9 51.6 -94.9 -8.8 5.8 9.2 33.2 42 45 A M > + 0 0 1 -6,-0.5 4,-2.7 -5,-0.3 -1,-0.2 -0.462 54.8 155.6-127.5 62.6 5.1 11.8 35.9 43 46 A P H > S+ 0 0 81 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.811 77.5 50.7 -59.6 -30.5 5.9 10.1 39.3 44 47 A A H > S+ 0 0 3 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.968 112.8 42.5 -73.0 -52.9 6.5 13.4 41.0 45 48 A L H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.887 112.2 57.0 -57.4 -39.3 3.2 15.1 39.9 46 49 A K H X S+ 0 0 107 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.949 113.4 38.5 -57.4 -50.0 1.4 11.9 40.6 47 50 A R H X S+ 0 0 87 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.899 113.6 55.4 -65.3 -44.2 2.6 12.0 44.3 48 51 A I H X S+ 0 0 11 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.915 109.5 48.3 -56.4 -44.1 2.3 15.8 44.5 49 52 A K H < S+ 0 0 54 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.920 110.4 50.8 -60.6 -46.5 -1.4 15.4 43.5 50 53 A E H < S+ 0 0 132 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.866 121.7 32.4 -60.0 -38.7 -2.1 12.6 46.0 51 54 A R H < S+ 0 0 180 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.477 122.1 41.1-101.9 -6.7 -0.6 14.6 48.9 52 55 A G S < S- 0 0 21 -4,-1.4 2,-0.4 -3,-0.3 335,-0.2 0.168 99.8 -59.7-113.8-133.1 -1.5 18.2 47.9 53 56 A A E -D 386 0B 5 333,-2.3 333,-2.7 336,-0.1 2,-0.5 -0.992 41.2-165.6-129.4 126.0 -4.5 20.0 46.5 54 57 A V E +D 385 0B 62 -2,-0.4 2,-0.3 331,-0.2 331,-0.2 -0.951 22.7 145.7-117.4 123.3 -5.9 19.1 43.0 55 58 A R E -D 384 0B 56 329,-2.0 329,-1.8 -2,-0.5 2,-0.4 -0.905 42.7-123.0-141.7 169.0 -8.4 21.4 41.2 56 59 A L E -D 383 0B 54 -2,-0.3 340,-2.0 327,-0.2 2,-0.3 -0.934 31.6-166.3-108.2 145.5 -9.5 22.7 37.9 57 60 A A E -D 382 0B 0 325,-2.8 325,-2.6 -2,-0.4 2,-0.5 -0.844 18.2-117.8-124.2 163.9 -9.5 26.5 37.4 58 61 A H E -De 381 400B 43 341,-2.4 343,-1.6 -2,-0.3 344,-0.4 -0.924 22.8-146.9-107.2 129.1 -11.0 28.8 34.8 59 62 A S - 0 0 0 321,-2.7 2,-0.2 -2,-0.5 4,-0.1 -0.069 33.3 -85.9 -70.4 176.9 -8.8 30.9 32.5 60 63 A V - 0 0 0 187,-0.4 -1,-0.1 2,-0.2 8,-0.1 -0.616 53.3 -96.3 -77.4 148.0 -9.8 34.4 31.2 61 64 A I S S+ 0 0 2 274,-0.4 2,-0.1 -2,-0.2 315,-0.1 -0.973 114.4 55.3-101.4 126.6 -11.8 34.6 28.0 62 65 A P S S- 0 0 0 0, 0.0 2,-2.3 0, 0.0 314,-0.2 0.375 89.5-145.7 -69.1 142.0 -10.3 35.0 25.5 63 66 A S + 0 0 0 312,-1.4 312,-0.5 -2,-0.1 2,-0.2 -0.416 51.5 138.0 -80.7 63.1 -8.3 31.9 26.3 64 67 A F > - 0 0 0 -2,-2.3 4,-1.4 311,-0.2 5,-0.2 -0.695 62.7-113.7-106.2 162.7 -5.2 33.4 24.7 65 68 A T H > S+ 0 0 32 219,-0.3 4,-2.8 -2,-0.2 5,-0.2 0.949 106.4 41.8 -63.1 -59.8 -1.6 33.4 25.9 66 69 A N H > S+ 0 0 17 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.933 113.9 48.3 -62.3 -50.6 -0.9 37.1 26.7 67 70 A P H > S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.893 117.5 44.4 -56.6 -40.5 -4.2 38.1 28.4 68 71 A N H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.889 112.5 49.3 -73.2 -40.7 -3.9 35.0 30.6 69 72 A N H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.919 113.5 47.7 -61.7 -42.1 -0.2 35.3 31.4 70 73 A L H X S+ 0 0 0 -4,-2.8 4,-1.5 -5,-0.2 6,-0.3 0.833 109.7 53.2 -70.0 -29.6 -0.8 39.0 32.3 71 74 A S H X>S+ 0 0 0 -4,-1.5 4,-1.7 -5,-0.3 5,-1.1 0.916 110.5 46.8 -66.6 -45.4 -3.8 38.0 34.5 72 75 A I H <5S+ 0 0 0 -4,-2.3 333,-0.3 1,-0.2 -2,-0.2 0.912 112.7 51.2 -60.0 -41.3 -1.6 35.5 36.3 73 76 A A H <5S+ 0 0 0 -4,-2.4 37,-3.4 1,-0.2 38,-0.6 0.769 121.9 30.3 -68.7 -29.2 1.1 38.1 36.7 74 77 A T H <5S- 0 0 0 -4,-1.5 -1,-0.2 35,-0.3 -2,-0.2 0.506 99.9-126.9-105.5 -10.8 -1.2 40.8 38.1 75 78 A G T <5S+ 0 0 2 -4,-1.7 -3,-0.2 1,-0.2 -4,-0.1 0.747 79.0 95.4 65.6 26.3 -3.7 38.5 39.9 76 79 A S S > - 0 0 18 0, 0.0 3,-1.8 0, 0.0 4,-1.6 -0.257 46.5 -95.7 -77.0 171.5 -8.6 40.1 34.8 78 81 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 259,-0.2 0.750 119.3 72.9 -62.0 -25.0 -7.9 42.2 31.6 79 82 A A H 34 S+ 0 0 49 257,-2.1 258,-0.2 1,-0.2 260,-0.1 0.841 109.7 34.7 -52.1 -34.0 -10.5 44.8 32.7 80 83 A V H <4 S+ 0 0 63 -3,-1.8 -1,-0.2 256,-0.3 257,-0.1 0.927 127.5 32.7 -85.1 -54.9 -7.8 45.7 35.3 81 84 A H H < S- 0 0 0 -4,-1.6 25,-3.0 2,-0.1 26,-0.4 0.702 93.2-133.4 -87.1 -19.8 -4.5 45.2 33.5 82 85 A G < + 0 0 0 -4,-2.6 2,-1.0 -5,-0.2 -3,-0.1 0.259 65.7 119.2 94.3 -11.1 -5.6 46.1 29.9 83 86 A I + 0 0 0 1,-0.2 -1,-0.2 -16,-0.1 -12,-0.1 -0.759 20.1 145.5 -95.2 100.7 -4.0 43.2 28.0 84 87 A C - 0 0 7 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.321 67.7 -10.6-120.4 8.2 -6.9 41.4 26.2 85 88 A G S S- 0 0 2 14,-0.2 -1,-0.2 1,-0.1 199,-0.1 -0.953 77.5 -86.3-180.0-176.5 -5.3 40.3 23.0 86 89 A N S S- 0 0 17 197,-1.8 13,-2.6 -2,-0.3 14,-0.4 0.724 104.4 -4.4 -80.9 -25.3 -2.1 40.7 20.8 87 90 A Y E -I 98 0C 19 11,-0.3 2,-0.3 12,-0.2 -1,-0.2 -0.985 58.6-150.0-159.4 161.7 -3.6 43.8 19.1 88 91 A L E -I 97 0C 17 9,-2.0 9,-2.1 -2,-0.3 2,-0.4 -0.811 20.5-120.0-127.3 174.9 -6.6 46.1 18.7 89 92 A Y E -I 96 0C 38 -2,-0.3 7,-0.2 7,-0.2 3,-0.1 -0.961 12.3-149.5-118.3 135.3 -8.0 48.2 15.9 90 93 A E E >> -I 95 0C 82 5,-3.1 4,-1.4 -2,-0.4 5,-0.8 -0.919 1.9-159.2-104.7 107.9 -8.5 52.0 16.1 91 94 A P T 45S+ 0 0 91 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.883 87.5 59.5 -53.0 -45.1 -11.6 53.1 14.0 92 95 A S T >45S+ 0 0 93 1,-0.2 3,-0.5 -3,-0.1 0, 0.0 -0.738 118.4 19.9 -78.7 138.6 -10.1 56.6 13.9 93 96 A T T 345S- 0 0 106 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 -0.137 102.1-123.4 87.3 -34.4 -6.7 56.3 12.3 94 97 A G T 3<5 + 0 0 33 -4,-1.4 2,-0.3 1,-0.2 -1,-0.2 0.731 64.2 149.7 65.2 24.2 -7.8 53.0 10.8 95 98 A E E < < -I 90 0C 110 -5,-0.8 -5,-3.1 -3,-0.5 2,-0.6 -0.682 49.1-145.3 -99.8 139.2 -4.8 51.6 12.6 96 99 A E E -I 89 0C 49 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.906 27.3-163.7 -94.5 124.2 -4.1 48.1 14.0 97 100 A V E -I 88 0C 31 -9,-2.1 -9,-2.0 -2,-0.6 2,-0.1 -0.941 18.8-118.5-120.6 127.8 -1.9 48.6 17.1 98 101 A M E -I 87 0C 61 -2,-0.5 -11,-0.3 -11,-0.2 3,-0.2 -0.369 17.5-167.9 -61.6 135.3 0.2 46.0 19.0 99 102 A M + 0 0 3 -13,-2.6 -12,-0.2 1,-0.1 -14,-0.2 0.064 68.2 90.0-110.6 15.6 -0.9 45.5 22.6 100 103 A N + 0 0 13 -14,-0.4 33,-0.2 -17,-0.0 -1,-0.1 0.037 61.7 100.1-104.1 25.0 2.2 43.4 23.5 101 104 A D S > S- 0 0 53 -3,-0.2 3,-2.2 1,-0.1 4,-0.3 -0.900 79.8-124.0-105.8 139.7 4.4 46.4 24.6 102 105 A P G > S+ 0 0 34 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.713 105.6 73.8 -57.1 -22.7 4.7 47.1 28.4 103 106 A K G 3 S+ 0 0 152 1,-0.2 -4,-0.0 3,-0.0 -3,-0.0 0.780 93.1 56.1 -60.5 -23.3 3.4 50.7 27.9 104 107 A F G < S+ 0 0 39 -3,-2.2 2,-0.4 2,-0.0 -1,-0.2 0.556 80.2 104.5 -86.7 -10.5 -0.0 49.2 27.4 105 108 A L < - 0 0 7 -3,-1.3 -23,-0.2 -4,-0.3 -24,-0.1 -0.627 49.4-174.0 -73.0 125.3 -0.0 47.4 30.8 106 109 A R + 0 0 111 -25,-3.0 -24,-0.1 -2,-0.4 -1,-0.1 0.323 59.0 51.4-107.4 2.1 -2.3 49.4 33.0 107 110 A A S S- 0 0 10 -26,-0.4 -31,-0.0 -31,-0.0 -1,-0.0 -0.995 85.5-102.7-141.8 147.1 -1.8 47.7 36.4 108 111 A P - 0 0 60 0, 0.0 2,-0.2 0, 0.0 29,-0.1 -0.322 37.0-120.7 -66.7 150.6 1.2 46.7 38.5 109 112 A T > - 0 0 2 27,-0.4 4,-2.0 1,-0.1 -35,-0.3 -0.505 18.2-118.5 -82.5 157.4 2.4 43.1 38.5 110 113 A I H > S+ 0 0 1 -37,-3.4 4,-2.6 2,-0.2 5,-0.3 0.835 117.2 61.3 -56.5 -32.3 2.6 41.0 41.7 111 114 A F H > S+ 0 0 0 -38,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.938 105.7 42.2 -65.6 -48.4 6.3 40.8 40.8 112 115 A Q H > S+ 0 0 51 24,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.889 112.8 54.2 -63.9 -40.7 6.8 44.6 41.0 113 116 A A H X S+ 0 0 20 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.938 113.4 41.1 -63.1 -46.1 4.7 44.9 44.2 114 117 A F H <>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 3,-0.3 0.919 114.8 52.6 -65.3 -42.8 6.8 42.3 46.0 115 118 A Y H ><5S+ 0 0 7 -4,-2.5 3,-1.8 -5,-0.3 -2,-0.2 0.936 108.8 49.6 -55.6 -48.8 10.0 43.7 44.5 116 119 A D H 3<5S+ 0 0 92 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.752 106.5 57.1 -63.6 -24.7 9.0 47.2 45.8 117 120 A A T 3<5S- 0 0 55 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.391 130.3 -94.4 -86.6 1.7 8.3 45.6 49.2 118 121 A G T < 5S+ 0 0 43 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.489 77.4 142.6 103.5 7.7 11.9 44.3 49.4 119 122 A A < - 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