==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-OCT-09 3K4Q . COMPND 2 MOLECULE: 3-PHYTASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS NIGER; . AUTHOR A.J.OAKLEY . 876 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35237.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 590 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 50 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 276 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 10 2 0 2 0 0 4 2 2 0 0 1 1 4 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 3 0 2 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 . 4 6 0 0 0 2 0 1 1 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 . 0 2 0 0 0 0 2 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 7 A S 0 0 158 0, 0.0 3,-0.1 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0 -42.5 3.0 -2.2 8.6 2 8 A a + 0 0 47 1,-0.2 8,-3.1 244,-0.2 2,-0.5 0.610 360.0 56.7 -83.2 -9.9 4.1 -2.4 12.3 3 9 A D E S+A 9 0A 39 6,-0.2 2,-0.3 7,-0.2 6,-0.2 -0.959 75.6 155.5-124.2 111.8 1.0 -0.5 13.3 4 10 A T E > -A 8 0A 52 4,-2.1 4,-1.2 -2,-0.5 105,-0.0 -0.812 54.4-112.5-133.6 166.6 -2.3 -2.0 12.1 5 11 A V T 4 S+ 0 0 41 -2,-0.3 108,-0.1 1,-0.1 -1,-0.1 0.940 116.8 38.4 -60.6 -40.6 -6.0 -2.0 12.9 6 12 A D T 4 S+ 0 0 82 1,-0.2 -1,-0.1 2,-0.1 20,-0.0 0.856 126.6 28.3 -88.1 -36.8 -5.8 -5.6 14.0 7 13 A Q T 4 S- 0 0 52 1,-0.3 20,-2.6 19,-0.1 -1,-0.2 0.501 93.3-150.9-105.1 -8.5 -2.5 -6.0 15.8 8 14 A G E < -AB 4 26A 5 -4,-1.2 -4,-2.1 18,-0.3 2,-1.0 -0.450 58.7 -5.9 74.8-144.0 -2.2 -2.4 17.1 9 15 A Y E +A 3 0A 1 16,-3.0 -6,-0.2 -6,-0.2 -1,-0.1 -0.719 63.4 154.7 -97.2 94.5 1.1 -0.8 17.7 10 16 A Q > + 0 0 59 -8,-3.1 3,-0.7 -2,-1.0 2,-0.3 0.081 34.5 123.3-104.9 18.4 3.9 -3.5 17.2 11 17 A a T 3 S- 0 0 3 1,-0.2 5,-0.2 -9,-0.2 4,-0.1 -0.670 86.9 -9.6 -82.0 139.8 6.5 -0.9 16.3 12 18 A F T >> S+ 0 0 55 -2,-0.3 4,-2.6 1,-0.1 3,-2.3 0.835 82.0 172.0 47.5 43.5 9.8 -0.9 18.4 13 19 A S H <> + 0 0 44 -3,-0.7 4,-1.4 1,-0.3 -1,-0.1 0.687 63.0 70.9 -67.0 -22.5 7.9 -3.3 20.6 14 20 A E H 34 S+ 0 0 110 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.642 120.6 17.5 -62.3 -19.4 11.0 -4.0 22.8 15 21 A T H X4 S+ 0 0 18 -3,-2.3 3,-2.2 -4,-0.1 -2,-0.2 0.688 123.9 54.3-115.4 -50.1 10.6 -0.5 24.2 16 22 A S H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.3 -3,-0.2 0.797 102.9 59.0 -68.1 -31.9 7.1 0.7 23.4 17 23 A H T 3< S+ 0 0 30 -4,-1.4 -1,-0.3 -5,-0.3 3,-0.3 0.534 99.2 59.9 -73.2 -3.9 5.5 -2.4 25.0 18 24 A L T < S+ 0 0 33 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.1 -0.060 73.5 95.3-112.5 31.0 7.1 -1.5 28.4 19 25 A W S X S- 0 0 0 -3,-1.0 3,-2.2 1,-0.3 -1,-0.2 0.260 75.0-150.1-100.9 13.9 5.6 1.9 28.9 20 26 A G G > S- 0 0 0 1,-0.3 3,-2.4 -3,-0.3 -1,-0.3 -0.327 74.9 -2.2 59.8-134.7 2.8 0.5 31.0 21 27 A Q G 3 S+ 0 0 3 1,-0.3 -1,-0.3 352,-0.2 355,-0.1 0.460 133.8 64.1 -69.1 -4.6 -0.5 2.5 30.7 22 28 A Y G < S+ 0 0 19 -3,-2.2 -1,-0.3 351,-0.1 -2,-0.2 0.257 79.0 108.7 -95.6 5.6 1.5 4.8 28.4 23 29 A A S < S- 0 0 0 -3,-2.4 351,-3.0 -6,-0.1 2,-0.2 -0.656 77.2-118.8 -77.0 135.1 1.9 1.9 25.9 24 30 A P B -c 374 0B 0 0, 0.0 351,-0.1 0, 0.0 -5,-0.1 -0.544 51.4 -78.3 -65.9 140.5 -0.1 2.4 22.7 25 31 A F - 0 0 7 349,-1.3 -16,-3.0 -2,-0.2 2,-0.3 -0.173 56.5-179.2 -39.5 133.2 -2.6 -0.5 22.4 26 32 A F B -B 8 0A 7 -18,-0.3 -18,-0.3 343,-0.2 2,-0.1 -0.980 29.9-112.5-138.8 133.4 -0.9 -3.7 21.1 27 33 A S - 0 0 5 -20,-2.6 3,-0.2 -2,-0.3 372,-0.2 -0.419 19.6-167.8 -73.3 138.4 -2.8 -6.9 20.5 28 34 A L >> + 0 0 4 370,-2.7 3,-0.8 1,-0.2 4,-0.7 0.099 53.1 118.2-106.0 14.6 -2.0 -9.9 22.7 29 35 A A G >4 S+ 0 0 23 1,-0.3 3,-0.8 369,-0.2 372,-0.2 0.869 77.6 47.2 -51.0 -43.1 -3.9 -12.4 20.5 30 36 A N G 34 S+ 0 0 137 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.719 107.2 57.0 -71.5 -23.3 -0.7 -14.4 19.8 31 37 A E G <4 S+ 0 0 121 -3,-0.8 2,-0.6 -4,-0.0 -1,-0.2 0.540 84.7 105.6 -85.8 -6.8 0.2 -14.4 23.6 32 38 A S << - 0 0 16 -3,-0.8 370,-0.1 -4,-0.7 368,-0.0 -0.627 55.5-164.4 -72.9 118.7 -3.2 -16.0 24.2 33 39 A V S S+ 0 0 143 -2,-0.6 2,-0.3 368,-0.2 -1,-0.2 0.867 80.9 59.8 -69.6 -34.0 -2.8 -19.7 25.0 34 40 A I S S- 0 0 34 367,-0.3 367,-0.5 -3,-0.1 378,-0.1 -0.753 101.3-107.6 -95.7 143.1 -6.5 -20.2 24.4 35 41 A S - 0 0 62 -2,-0.3 -2,-0.1 1,-0.1 -5,-0.1 -0.482 14.3-147.9 -76.2 136.1 -7.7 -19.3 20.9 36 42 A P + 0 0 18 0, 0.0 -1,-0.1 0, 0.0 363,-0.0 0.696 65.3 110.9 -75.0 -16.5 -9.8 -16.1 20.6 37 43 A E S S- 0 0 137 1,-0.1 3,-0.0 3,-0.0 -2,-0.0 -0.157 83.5-101.5 -58.6 147.8 -11.8 -17.7 17.8 38 44 A V - 0 0 65 1,-0.1 -1,-0.1 4,-0.0 3,-0.1 -0.560 49.5-114.4 -64.1 129.7 -15.4 -18.5 18.4 39 45 A P > - 0 0 25 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.366 35.3 -87.0 -72.8 157.1 -15.4 -22.2 18.9 40 46 A A T 3 S+ 0 0 106 1,-0.3 346,-0.1 345,-0.1 3,-0.1 -0.308 116.1 23.0 -62.3 136.0 -17.1 -24.6 16.4 41 47 A G T 3 S+ 0 0 57 1,-0.3 345,-1.0 344,-0.1 2,-0.4 0.390 104.4 113.5 88.9 -3.0 -20.8 -25.1 17.2 42 48 A b E < -D 385 0C 24 -3,-1.9 2,-0.4 343,-0.2 -1,-0.3 -0.841 46.6-167.6-111.1 141.2 -20.9 -21.8 19.1 43 49 A R E -D 384 0C 151 341,-2.8 341,-3.0 -2,-0.4 2,-0.4 -0.986 22.9-126.5-125.2 125.6 -22.7 -18.6 18.3 44 50 A V E +D 383 0C 16 -2,-0.4 339,-0.3 339,-0.3 3,-0.1 -0.544 30.2 170.1 -68.8 120.8 -22.0 -15.2 20.0 45 51 A T E + 0 0 41 337,-2.1 2,-0.3 -2,-0.4 338,-0.2 0.353 63.4 31.3-111.2 0.7 -25.3 -13.7 21.3 46 52 A F E -D 382 0C 5 336,-1.3 336,-1.7 2,-0.0 2,-0.3 -0.957 56.2-178.9-159.6 137.6 -23.9 -10.8 23.4 47 53 A A E +De 381 326C 0 278,-2.6 280,-2.1 -2,-0.3 2,-0.4 -0.940 1.6 178.2-146.4 126.1 -20.9 -8.4 23.3 48 54 A Q E -De 380 327C 3 332,-2.0 332,-2.4 -2,-0.3 2,-0.4 -0.969 9.4-164.4-117.9 132.6 -19.8 -5.6 25.6 49 55 A V E -De 379 328C 0 278,-2.0 280,-2.4 -2,-0.4 2,-0.5 -0.974 5.5-168.4-117.1 135.2 -16.7 -3.6 25.0 50 56 A L E -De 378 329C 1 328,-2.2 328,-1.8 -2,-0.4 2,-0.4 -0.995 21.6-176.8-114.9 117.2 -15.2 -1.4 27.8 51 57 A S E -De 377 330C 0 278,-3.3 280,-2.4 -2,-0.5 326,-0.2 -0.915 22.9-134.2-121.6 146.9 -12.5 0.8 26.2 52 58 A R E - e 0 331C 1 324,-2.2 280,-0.2 -2,-0.4 277,-0.0 -0.519 40.5 -94.5 -84.3 164.0 -10.0 3.3 27.5 53 59 A H - 0 0 2 278,-1.2 322,-2.4 -2,-0.2 323,-0.3 -0.156 52.9 -96.8 -70.7 172.6 -9.6 6.7 25.7 54 60 A G - 0 0 0 82,-0.4 49,-0.2 1,-0.2 -1,-0.1 -0.160 57.6 -51.3 -88.1-177.6 -6.8 6.8 23.1 55 61 A A - 0 0 0 47,-0.1 45,-1.9 319,-0.1 2,-0.3 -0.214 68.8-174.2 -50.1 140.7 -3.3 8.0 23.2 56 62 A R B -K 99 0D 22 43,-0.3 43,-0.3 -3,-0.1 42,-0.1 -0.818 28.9 -96.5-134.7 168.5 -3.2 11.6 24.6 57 63 A Y - 0 0 49 41,-2.7 39,-0.2 -2,-0.3 40,-0.2 -0.497 61.5 -81.5 -73.2 159.7 -1.0 14.5 25.4 58 64 A P - 0 0 1 0, 0.0 39,-2.2 0, 0.0 -1,-0.1 -0.254 55.1 -94.6 -57.6 151.0 0.3 14.8 29.0 59 65 A T > - 0 0 37 37,-0.2 4,-2.9 38,-0.1 5,-0.2 -0.254 40.8-105.8 -61.7 161.5 -2.1 16.3 31.5 60 66 A D H > S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.963 120.9 51.8 -58.2 -51.8 -1.5 20.1 31.9 61 67 A S H > S+ 0 0 74 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.914 114.9 39.7 -38.3 -62.2 0.1 19.6 35.3 62 68 A K H > S+ 0 0 59 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.890 112.6 57.5 -68.3 -36.8 2.6 17.0 34.1 63 69 A G H X S+ 0 0 9 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.855 105.1 49.6 -59.9 -40.3 3.1 18.9 30.9 64 70 A K H X S+ 0 0 137 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.861 113.7 47.6 -62.9 -38.4 4.3 22.0 32.8 65 71 A K H X S+ 0 0 102 -4,-1.6 4,-2.5 -5,-0.2 -2,-0.2 0.924 112.2 47.7 -72.2 -44.1 6.7 19.9 34.9 66 72 A Y H X S+ 0 0 3 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.938 115.6 46.4 -55.9 -45.8 8.1 18.1 31.8 67 73 A S H X S+ 0 0 36 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.915 113.6 46.3 -72.3 -43.0 8.5 21.4 30.1 68 74 A A H X S+ 0 0 52 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.892 110.2 55.6 -64.0 -39.3 10.1 23.2 33.1 69 75 A L H X S+ 0 0 8 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.925 107.5 48.3 -58.4 -45.4 12.4 20.2 33.6 70 76 A I H X S+ 0 0 4 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.873 108.8 52.7 -68.2 -36.8 13.8 20.4 30.1 71 77 A E H X S+ 0 0 102 -4,-1.8 4,-3.0 2,-0.2 3,-0.3 0.973 109.3 50.2 -59.2 -52.5 14.4 24.2 30.2 72 78 A E H X S+ 0 0 95 -4,-2.2 4,-1.9 1,-0.3 5,-0.3 0.899 109.4 50.5 -52.1 -45.7 16.4 23.6 33.5 73 79 A I H X S+ 0 0 4 -4,-2.4 4,-1.9 1,-0.2 -1,-0.3 0.884 113.3 47.8 -59.9 -36.2 18.4 20.9 31.7 74 80 A Q H < S+ 0 0 61 -4,-2.1 -2,-0.2 -3,-0.3 -1,-0.2 0.878 112.5 46.7 -71.6 -40.6 19.0 23.4 28.9 75 81 A Q H < S+ 0 0 134 -4,-3.0 -2,-0.2 1,-0.1 -1,-0.2 0.824 122.4 33.5 -67.7 -31.5 20.1 26.3 31.1 76 82 A N H < S+ 0 0 74 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.834 92.9 90.4-100.3 -41.8 22.5 24.2 33.3 77 83 A A < - 0 0 12 -4,-1.9 143,-0.2 -5,-0.3 3,-0.1 -0.219 39.9-178.0 -70.9 151.7 24.2 21.5 31.2 78 84 A T S S+ 0 0 103 141,-1.6 2,-0.8 1,-0.2 -1,-0.1 0.710 70.3 56.7-114.9 -42.2 27.4 22.1 29.4 79 85 A T + 0 0 54 140,-0.4 2,-0.6 2,-0.0 -1,-0.2 -0.833 51.3 164.9 -99.7 107.1 28.0 18.8 27.6 80 86 A F + 0 0 28 -2,-0.8 2,-0.3 -3,-0.1 8,-0.1 -0.823 31.3 139.7-110.0 88.5 25.2 17.7 25.3 81 87 A D > - 0 0 106 -2,-0.6 3,-1.5 136,-0.3 2,-0.1 -0.912 47.3 -0.4-136.4 165.5 26.8 14.9 23.2 82 88 A G G > S- 0 0 61 -2,-0.3 3,-2.4 1,-0.3 4,-0.3 -0.422 135.1 -1.7 60.6-138.3 26.2 11.5 21.8 83 89 A K G 3 S+ 0 0 93 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.623 137.0 59.3 -50.4 -16.1 22.6 10.3 22.6 84 90 A Y G X S+ 0 0 9 -3,-1.5 3,-1.3 1,-0.2 4,-0.3 0.507 75.3 93.5 -92.8 -8.4 22.2 13.6 24.6 85 91 A A G X S+ 0 0 49 -3,-2.4 3,-2.2 1,-0.3 4,-0.4 0.880 75.0 63.3 -59.2 -41.0 22.8 16.1 21.7 86 92 A F G >> S+ 0 0 41 -4,-0.3 4,-1.4 1,-0.3 3,-0.7 0.739 90.5 71.0 -55.5 -27.6 19.1 16.5 20.8 87 93 A L G <4 S+ 0 0 0 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.711 81.4 69.4 -67.2 -23.2 18.5 18.0 24.2 88 94 A K G <4 S+ 0 0 147 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.2 0.922 117.6 20.6 -60.2 -41.2 20.3 21.2 23.5 89 95 A T T <4 S+ 0 0 120 -3,-0.7 -2,-0.2 -4,-0.4 -1,-0.2 0.508 84.3 138.8-107.9 -11.7 17.6 22.4 21.0 90 96 A Y < - 0 0 37 -4,-1.4 2,-0.6 1,-0.1 -16,-0.1 -0.082 39.7-154.0 -47.3 133.1 14.6 20.2 22.0 91 97 A N - 0 0 127 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.901 8.6-138.1-123.2 101.1 11.6 22.5 21.8 92 98 A Y + 0 0 43 -2,-0.6 -25,-0.0 1,-0.2 -2,-0.0 -0.417 43.8 145.5 -65.7 115.5 8.7 21.4 23.9 93 99 A S + 0 0 104 -2,-0.4 -1,-0.2 2,-0.0 -26,-0.0 0.176 18.3 138.7-140.7 19.0 5.5 21.9 22.0 94 100 A L - 0 0 28 1,-0.1 2,-0.1 -31,-0.1 144,-0.0 -0.278 48.4-128.1 -52.8 143.9 3.3 19.0 23.1 95 101 A G - 0 0 33 146,-0.1 2,-0.4 3,-0.1 -1,-0.1 -0.163 26.5-106.8 -82.4-166.0 -0.3 19.9 23.7 96 102 A A - 0 0 30 -39,-0.2 2,-2.0 3,-0.1 -37,-0.2 -0.985 67.9 -25.1-140.2 130.9 -2.2 19.1 26.9 97 103 A D S S+ 0 0 56 -39,-2.2 -38,-0.1 -2,-0.4 39,-0.1 -0.154 98.8 106.7 71.1 -42.5 -5.0 16.6 28.0 98 104 A D S S- 0 0 100 -2,-2.0 -41,-2.7 1,-0.1 -1,-0.1 -0.179 79.6 -92.8 -71.6 156.2 -6.5 16.1 24.5 99 105 A L B -K 56 0D 11 -43,-0.3 -43,-0.3 -3,-0.1 -1,-0.1 -0.347 39.3-128.6 -55.9 141.6 -6.2 13.0 22.3 100 106 A T > - 0 0 0 -45,-1.9 4,-2.3 1,-0.1 5,-0.2 -0.508 28.4-102.6 -84.3 163.7 -3.3 13.1 19.8 101 107 A P H > S+ 0 0 87 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.953 128.0 51.8 -47.0 -49.9 -3.9 12.3 16.0 102 108 A F H > S+ 0 0 18 138,-0.3 4,-1.8 1,-0.2 -47,-0.1 0.901 108.0 50.1 -53.8 -44.4 -2.4 8.9 16.7 103 109 A G H > S+ 0 0 0 137,-0.2 4,-1.1 -48,-0.2 -1,-0.2 0.865 107.8 54.4 -65.5 -37.8 -4.9 8.4 19.7 104 110 A E H >X S+ 0 0 74 -4,-2.3 4,-1.5 1,-0.2 3,-0.8 0.965 109.2 47.4 -57.6 -49.6 -7.8 9.4 17.5 105 111 A Q H 3X S+ 0 0 100 -4,-2.2 4,-3.0 1,-0.3 5,-0.2 0.809 103.3 62.0 -63.9 -34.5 -6.9 6.8 15.0 106 112 A E H 3X S+ 0 0 13 -4,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.870 108.4 43.4 -58.6 -35.9 -6.4 4.1 17.6 107 113 A L H < S+ 0 0 104 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.910 110.9 53.2 -70.6 -47.4 -15.7 -6.8 12.2 117 123 A R H 3< S+ 0 0 81 -4,-2.7 3,-0.2 1,-0.3 -1,-0.2 0.864 123.1 29.9 -59.5 -34.8 -15.2 -9.2 15.1 118 124 A Y T >X S+ 0 0 7 -4,-1.7 3,-3.0 -5,-0.3 4,-2.5 0.079 81.0 134.6-114.2 26.6 -19.0 -9.2 15.9 119 125 A E H <> + 0 0 40 -3,-1.4 4,-1.6 1,-0.3 -1,-0.1 0.732 62.7 66.1 -45.5 -34.6 -20.2 -8.5 12.3 120 126 A S H 34 S+ 0 0 80 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.687 120.1 24.6 -75.5 -6.1 -23.0 -11.1 12.4 121 127 A L H X> S+ 0 0 27 -3,-3.0 4,-1.3 -6,-0.2 3,-0.9 0.686 115.9 60.4-115.2 -36.2 -24.5 -8.8 15.1 122 128 A T H 3< S+ 0 0 0 -4,-2.5 -3,-0.2 -7,-0.3 -2,-0.2 0.639 91.1 75.4 -68.9 -16.2 -23.1 -5.4 14.3 123 129 A R T 3< S+ 0 0 76 -4,-1.6 36,-1.8 -5,-0.3 -1,-0.2 0.867 118.5 7.4 -64.9 -31.8 -24.8 -5.6 10.8 124 130 A N T <4 S+ 0 0 68 -3,-0.9 2,-0.5 34,-0.2 -2,-0.2 0.410 113.1 82.0-131.7 3.4 -28.2 -4.9 12.2 125 131 A I < - 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