==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JAN-06 2CCR . COMPND 2 MOLECULE: YVFO; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR J.LE NOURS,L.DE MARIA,D.WELNER,C.T.JORGENSEN, . 773 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29907.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 536 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 2.6 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 . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 57 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 2 4 0 0 0 4 0 2 0 2 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 2 6 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 . 10 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 11 A G 0 0 130 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -1.7 36.3 15.6 23.6 2 12 A L - 0 0 23 1,-0.0 2,-0.4 2,-0.0 282,-0.0 -0.296 360.0-157.6 -60.8 138.3 33.1 13.5 23.4 3 13 A Y + 0 0 130 382,-0.1 2,-0.4 383,-0.1 -1,-0.0 -0.947 14.2 175.7-119.9 136.4 32.2 12.2 19.9 4 14 A V - 0 0 1 -2,-0.4 381,-2.5 376,-0.1 2,-0.4 -0.951 23.5-139.3-143.3 122.2 28.7 11.1 18.8 5 15 A E - 0 0 110 -2,-0.4 379,-0.2 379,-0.2 3,-0.0 -0.666 37.3-104.0 -80.4 129.5 27.8 10.0 15.2 6 16 A K - 0 0 98 -2,-0.4 2,-0.6 377,-0.3 376,-0.2 -0.204 31.8-121.0 -51.7 137.9 24.5 11.4 14.1 7 17 A V > - 0 0 4 374,-2.6 3,-1.2 373,-0.1 2,-0.3 -0.764 29.8-129.8 -85.6 119.9 21.7 8.8 14.2 8 18 A S T 3 S+ 0 0 78 -2,-0.6 3,-0.1 1,-0.2 374,-0.0 -0.516 83.9 9.3 -76.5 133.3 20.3 8.6 10.7 9 19 A G T 3 S+ 0 0 74 1,-0.3 2,-0.2 -2,-0.3 -1,-0.2 0.512 82.5 161.4 80.8 5.5 16.5 8.8 10.3 10 20 A L < - 0 0 28 -3,-1.2 -1,-0.3 371,-0.2 2,-0.1 -0.437 37.8-127.9 -63.6 123.5 16.0 9.8 13.9 11 21 A R > - 0 0 66 -2,-0.2 3,-1.2 -3,-0.1 -1,-0.1 -0.381 12.3-123.1 -70.2 151.2 12.5 11.4 14.2 12 22 A K T 3 S+ 0 0 215 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 0.721 110.0 49.0 -68.2 -24.8 12.2 14.8 15.8 13 23 A D T 3 S+ 0 0 112 2,-0.1 -1,-0.2 293,-0.0 3,-0.1 0.216 78.4 147.9-100.7 14.6 9.8 13.7 18.5 14 24 A F < - 0 0 2 -3,-1.2 2,-0.5 1,-0.1 292,-0.2 -0.190 54.2-113.5 -51.5 135.8 11.8 10.6 19.5 15 25 A I E -a 306 0A 18 290,-3.0 292,-2.2 37,-0.0 2,-0.6 -0.627 33.1-175.5 -78.0 121.7 11.3 9.7 23.2 16 26 A K E +a 307 0A 20 -2,-0.5 37,-2.8 290,-0.2 38,-1.0 -0.908 22.0 164.9-118.7 99.0 14.6 10.2 25.1 17 27 A G E -ab 308 54A 0 290,-2.6 292,-2.6 -2,-0.6 2,-0.3 -0.672 28.1-159.9-119.5 172.4 14.0 9.1 28.7 18 28 A V E -ab 309 55A 0 36,-1.6 38,-2.5 290,-0.3 2,-0.6 -0.980 15.4-141.4-144.0 148.8 15.7 8.2 31.9 19 29 A D E +ab 310 56A 0 290,-1.9 292,-1.8 -2,-0.3 294,-0.3 -0.964 27.9 163.4-114.7 109.1 14.5 6.2 35.0 20 30 A V > + 0 0 1 36,-0.7 3,-2.6 -2,-0.6 4,-0.2 -0.246 17.1 144.6-119.2 41.4 15.8 7.8 38.1 21 31 A S T > + 0 0 0 35,-0.3 3,-0.6 1,-0.3 4,-0.3 0.762 68.4 59.6 -50.8 -30.6 13.5 6.1 40.6 22 32 A S T 3> S+ 0 0 1 1,-0.2 4,-2.2 -3,-0.2 -1,-0.3 0.494 76.6 98.8 -79.8 -3.1 16.3 5.9 43.2 23 33 A I H <> S+ 0 0 2 -3,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.815 79.9 49.9 -54.4 -37.6 16.6 9.7 43.3 24 34 A I H <> S+ 0 0 3 -3,-0.6 4,-2.0 -4,-0.2 -1,-0.2 0.933 111.3 45.5 -71.7 -46.0 14.5 10.2 46.4 25 35 A A H > S+ 0 0 0 -4,-0.3 4,-1.0 49,-0.2 310,-0.2 0.912 114.7 51.3 -63.2 -38.7 16.2 7.6 48.6 26 36 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.0 2,-0.2 3,-0.7 0.943 108.0 49.1 -63.5 -49.6 19.6 9.0 47.5 27 37 A E H ><5S+ 0 0 65 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.880 110.8 51.1 -59.6 -37.2 18.8 12.6 48.2 28 38 A E H 3<5S+ 0 0 108 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.747 104.0 60.1 -70.8 -21.5 17.6 11.6 51.7 29 39 A S T <<5S- 0 0 12 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.449 127.3-100.0 -84.1 -0.7 20.9 9.7 52.1 30 40 A G T < 5S+ 0 0 63 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.366 73.5 146.8 99.8 -4.7 22.8 13.0 51.6 31 41 A V < - 0 0 19 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.3 -0.408 27.4-165.1 -68.0 138.8 23.7 12.5 47.9 32 42 A A - 0 0 26 -2,-0.1 2,-0.3 336,-0.1 10,-0.1 -0.935 7.1-149.3-128.2 150.4 23.9 15.7 45.8 33 43 A F - 0 0 9 -2,-0.3 8,-2.2 8,-0.2 2,-0.2 -0.869 11.1-168.0-119.4 153.9 24.0 16.4 42.1 34 44 A Y B -I 40 0B 66 335,-2.8 2,-0.2 -2,-0.3 6,-0.2 -0.677 13.6-125.3-128.5-179.5 25.6 19.1 40.1 35 45 A N > - 0 0 21 4,-0.7 3,-1.1 -2,-0.2 8,-0.0 -0.608 47.9 -76.1-120.3-178.9 25.6 20.6 36.5 36 46 A E T 3 S+ 0 0 109 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.914 130.1 50.7 -42.8 -58.3 28.3 21.3 34.0 37 47 A S T 3 S- 0 0 41 1,-0.1 -1,-0.3 2,-0.1 378,-0.0 0.768 116.4-113.9 -54.1 -31.5 29.5 24.5 35.8 38 48 A G < + 0 0 42 -3,-1.1 2,-0.4 1,-0.3 -2,-0.1 0.665 69.7 133.2 103.1 20.4 29.7 22.5 39.1 39 49 A K - 0 0 120 1,-0.1 -4,-0.7 0, 0.0 -1,-0.3 -0.871 68.4 -95.5-105.4 135.5 27.0 24.2 41.1 40 50 A K B +I 34 0B 156 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.3 -0.183 58.1 168.7 -46.0 136.1 24.5 22.1 43.1 41 51 A Q - 0 0 39 -8,-2.2 -8,-0.2 -3,-0.0 2,-0.1 -0.986 44.0 -91.8-156.5 145.3 21.4 21.7 40.9 42 52 A D >> - 0 0 60 -2,-0.3 4,-1.8 1,-0.2 3,-1.4 -0.391 35.5-136.1 -58.1 124.1 18.2 19.7 40.8 43 53 A I H 3> S+ 0 0 1 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.852 103.2 60.3 -53.7 -36.7 19.0 16.6 38.7 44 54 A F H 3> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.829 104.9 48.9 -62.4 -30.2 15.7 17.0 36.9 45 55 A K H <> S+ 0 0 98 -3,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.919 111.1 48.9 -74.1 -43.0 16.8 20.4 35.7 46 56 A T H X S+ 0 0 6 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.888 110.9 51.8 -61.6 -39.6 20.1 19.0 34.5 47 57 A L H <>S+ 0 0 0 -4,-2.8 5,-2.0 2,-0.2 4,-0.3 0.929 108.9 49.4 -63.4 -45.6 18.3 16.2 32.8 48 58 A K H ><5S+ 0 0 88 -4,-1.9 3,-2.1 1,-0.2 -2,-0.2 0.943 110.0 51.0 -58.9 -48.3 16.0 18.7 30.9 49 59 A E H 3<5S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.793 104.6 59.5 -59.4 -28.7 19.0 20.7 29.9 50 60 A A T 3<5S- 0 0 4 -4,-1.4 -1,-0.3 -3,-0.2 329,-0.3 0.487 124.4-102.3 -79.7 -3.9 20.6 17.5 28.6 51 61 A G T < 5S+ 0 0 27 -3,-2.1 -3,-0.2 1,-0.3 -35,-0.1 0.404 70.4 148.6 100.0 -4.9 17.7 17.0 26.2 52 62 A V < + 0 0 2 -5,-2.0 -1,-0.3 1,-0.1 -35,-0.2 -0.399 18.4 176.6 -61.9 141.0 15.9 14.3 28.2 53 63 A N + 0 0 47 -37,-2.8 41,-1.7 1,-0.2 2,-0.3 0.232 56.9 50.6-131.5 12.2 12.1 14.6 27.5 54 64 A Y E -bc 17 94A 11 -38,-1.0 -36,-1.6 39,-0.3 2,-0.4 -0.994 56.7-158.3-154.4 142.2 10.7 11.7 29.5 55 65 A V E -bc 18 95A 0 39,-2.5 41,-2.9 -2,-0.3 2,-0.4 -0.984 7.1-160.5-125.7 133.6 11.0 10.2 33.0 56 66 A R E -bc 19 96A 1 -38,-2.5 -36,-0.7 -2,-0.4 2,-0.4 -0.921 9.3-173.5-112.1 137.7 10.2 6.6 34.0 57 67 A V E - c 0 97A 0 39,-2.4 41,-3.1 -2,-0.4 2,-0.2 -0.997 18.0-135.9-135.5 130.4 9.5 5.6 37.6 58 68 A R E - c 0 98A 1 -2,-0.4 2,-0.4 39,-0.2 41,-0.2 -0.606 19.6-158.4 -82.7 144.7 9.0 2.1 39.1 59 69 A I E - c 0 99A 0 39,-2.7 41,-2.2 -2,-0.2 42,-0.7 -0.974 9.1-171.9-132.3 119.2 6.1 1.7 41.5 60 70 A W - 0 0 0 16,-2.9 18,-0.3 -2,-0.4 43,-0.2 -0.847 25.7-132.0-105.1 144.0 5.8 -1.1 44.1 61 71 A N S S- 0 0 32 41,-1.9 17,-0.3 -2,-0.4 42,-0.2 0.981 90.9 -8.5 -58.4 -61.2 2.6 -1.5 46.0 62 72 A D + 0 0 74 15,-0.1 2,-1.5 40,-0.1 -1,-0.2 -0.653 64.3 179.0-144.0 81.8 4.0 -1.7 49.5 63 73 A P + 0 0 0 0, 0.0 8,-2.7 0, 0.0 9,-0.4 -0.238 56.3 86.4 -79.6 47.4 7.8 -2.0 49.6 64 74 A Y B S-J 70 0C 43 -2,-1.5 6,-0.2 6,-0.3 2,-0.1 -0.959 75.0-116.0-142.4 158.5 8.0 -2.1 53.4 65 75 A D > - 0 0 15 4,-1.7 3,-1.9 -2,-0.3 277,-0.1 -0.324 53.4 -81.6 -84.8 178.4 7.8 -4.7 56.2 66 76 A A T 3 S+ 0 0 101 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.797 131.1 49.7 -52.7 -31.2 5.0 -4.7 58.8 67 77 A N T 3 S- 0 0 142 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.593 122.7-100.2 -87.1 -8.7 6.8 -2.0 60.8 68 78 A G < + 0 0 45 -3,-1.9 2,-0.7 1,-0.3 -2,-0.1 0.579 68.9 150.3 103.3 10.5 7.5 0.3 58.0 69 79 A N - 0 0 55 272,-0.1 -4,-1.7 1,-0.1 -1,-0.3 -0.689 48.6-120.1 -80.6 117.2 11.1 -0.6 57.3 70 80 A G B -J 64 0C 11 -2,-0.7 271,-0.3 -6,-0.2 -6,-0.3 -0.191 2.7-138.3 -58.5 145.3 11.7 -0.1 53.6 71 81 A Y - 0 0 0 -8,-2.7 268,-2.6 1,-0.3 271,-0.3 0.606 45.5-138.2 -76.9 -13.7 12.8 -3.0 51.4 72 82 A G S > S+ 0 0 0 -9,-0.4 3,-2.9 266,-0.3 4,-0.4 -0.630 70.2 119.4 93.0-150.5 15.3 -0.6 49.7 73 83 A G T 3 S- 0 0 0 263,-1.6 3,-0.3 1,-0.3 264,-0.2 0.748 121.3 -46.8 56.1 21.3 15.9 -0.4 46.0 74 84 A G T 3 S- 0 0 0 260,-2.3 -1,-0.3 262,-0.5 -49,-0.2 0.283 74.9-110.3 103.4 -8.0 14.7 3.2 46.4 75 85 A N < - 0 0 14 -3,-2.9 2,-0.8 1,-0.2 5,-0.2 0.877 50.7-169.3 47.9 41.7 11.6 2.3 48.5 76 86 A N + 0 0 0 -4,-0.4 -16,-2.9 -3,-0.3 -1,-0.2 -0.500 20.0 148.5 -72.2 103.7 9.6 3.3 45.4 77 87 A D > - 0 0 20 -2,-0.8 4,-1.9 -18,-0.2 3,-0.2 -0.560 65.8 -82.5-119.8-175.4 5.9 3.5 46.2 78 88 A L H > S+ 0 0 41 -18,-0.3 4,-2.1 -17,-0.3 5,-0.2 0.896 125.7 59.9 -58.0 -40.5 3.1 5.7 44.8 79 89 A E H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 108.2 41.1 -55.1 -49.1 4.2 8.5 47.1 80 90 A K H > S+ 0 0 17 -5,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.829 109.3 61.3 -71.9 -28.0 7.7 8.8 45.7 81 91 A A H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.903 105.8 47.3 -63.4 -37.8 6.2 8.4 42.2 82 92 A I H X S+ 0 0 34 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.921 110.3 51.4 -69.3 -42.4 4.2 11.5 42.8 83 93 A Q H X S+ 0 0 69 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.936 115.7 42.1 -57.2 -48.9 7.3 13.4 44.1 84 94 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.909 112.9 53.0 -65.8 -44.2 9.2 12.4 41.0 85 95 A G H X S+ 0 0 0 -4,-2.9 4,-3.2 -5,-0.2 61,-0.3 0.917 107.1 52.3 -58.3 -45.0 6.3 13.0 38.6 86 96 A K H X S+ 0 0 115 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.907 112.5 44.3 -57.7 -45.2 5.9 16.6 39.9 87 97 A R H X S+ 0 0 53 -4,-1.6 4,-0.6 -5,-0.2 -1,-0.2 0.810 113.0 53.4 -71.1 -29.1 9.5 17.4 39.4 88 98 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.0 2,-0.2 3,-0.8 0.958 113.8 40.0 -70.0 -50.9 9.4 15.7 36.0 89 99 A T H ><5S+ 0 0 44 -4,-3.2 3,-2.7 1,-0.2 -2,-0.2 0.945 109.9 60.3 -62.3 -45.4 6.4 17.8 34.8 90 100 A A H 3<5S+ 0 0 81 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.727 108.7 45.9 -55.3 -21.2 7.9 20.9 36.5 91 101 A N T <<5S- 0 0 35 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 -0.051 124.1-102.3-112.0 30.0 10.9 20.4 34.2 92 102 A G T < 5S+ 0 0 48 -3,-2.7 2,-0.4 1,-0.2 -3,-0.2 0.828 77.9 129.9 56.2 42.0 8.9 19.8 31.0 93 103 A M < - 0 0 1 -5,-2.0 -39,-0.3 -8,-0.2 53,-0.2 -0.988 54.8-125.7-128.9 133.9 9.2 16.0 30.8 94 104 A K E -c 54 0A 90 -41,-1.7 -39,-2.5 -2,-0.4 2,-0.3 -0.323 29.4-123.1 -69.4 158.4 6.4 13.5 30.3 95 105 A L E -cd 55 147A 0 51,-1.9 53,-2.0 -41,-0.2 54,-1.8 -0.838 14.0-159.4-109.9 145.4 6.1 10.7 32.9 96 106 A L E -cd 56 149A 0 -41,-2.9 -39,-2.4 -2,-0.3 2,-0.6 -0.955 15.2-154.0-119.1 105.2 6.1 6.9 32.4 97 107 A A E -cd 57 150A 0 52,-2.1 54,-3.0 -2,-0.6 2,-0.7 -0.737 7.7-162.0 -83.1 120.5 4.5 5.2 35.4 98 108 A D E -cd 58 151A 0 -41,-3.1 -39,-2.7 -2,-0.6 2,-0.6 -0.857 2.3-164.8-109.7 98.9 6.0 1.7 35.7 99 109 A F E -cd 59 152A 0 52,-1.7 54,-1.3 -2,-0.7 -39,-0.2 -0.721 11.7-175.6 -84.2 117.0 3.7 -0.5 37.9 100 110 A H - 0 0 3 -41,-2.2 61,-0.4 -2,-0.6 54,-0.3 0.716 28.4-143.0 -82.1 -20.6 5.5 -3.7 38.9 101 111 A Y S S+ 0 0 0 -42,-0.7 60,-0.3 1,-0.3 2,-0.3 0.955 70.4 86.5 55.1 51.3 2.3 -4.9 40.6 102 112 A S S S- 0 0 0 -43,-0.3 -41,-1.9 11,-0.2 -1,-0.3 -0.937 89.2-111.4-165.2 166.7 4.5 -6.4 43.4 103 113 A D S S+ 0 0 0 9,-0.3 2,-0.3 10,-0.3 -32,-0.2 0.525 96.7 8.7 -88.9 -5.8 6.0 -5.2 46.7 104 114 A F S S- 0 0 3 8,-0.3 8,-0.1 1,-0.1 -43,-0.1 -0.900 110.8 -16.1-156.0-175.2 9.5 -5.4 45.3 105 115 A W - 0 0 36 -2,-0.3 2,-0.5 1,-0.1 7,-0.3 0.095 54.0-159.0 -33.1 126.8 11.7 -6.0 42.2 106 116 A A + 0 0 2 5,-0.1 5,-0.2 -4,-0.1 -1,-0.1 -0.967 31.7 130.6-116.2 119.0 9.7 -7.6 39.3 107 117 A D S S- 0 0 43 3,-2.8 51,-0.2 -2,-0.5 3,-0.1 -0.805 72.6 -63.1-148.6-169.3 11.8 -9.3 36.7 108 118 A P S S+ 0 0 56 0, 0.0 3,-0.1 0, 0.0 47,-0.0 0.841 135.6 33.0 -53.9 -34.6 11.9 -12.6 34.7 109 119 A A S S+ 0 0 93 1,-0.2 2,-0.5 48,-0.0 -3,-0.0 0.657 119.2 54.1 -95.1 -19.8 12.5 -14.6 37.9 110 120 A K + 0 0 32 -3,-0.1 -3,-2.8 1,-0.1 -1,-0.2 -0.942 43.7 139.9-126.8 116.1 10.5 -12.5 40.3 111 121 A Q + 0 0 22 -2,-0.5 51,-2.4 -5,-0.2 2,-0.2 -0.457 31.3 173.7-143.9 57.3 6.8 -11.6 39.9 112 122 A K - 0 0 102 -7,-0.3 -9,-0.3 49,-0.2 -8,-0.3 -0.493 34.7-112.5 -76.4 137.0 5.6 -11.9 43.5 113 123 A A - 0 0 15 -2,-0.2 -10,-0.3 48,-0.2 -11,-0.2 -0.323 41.7 -97.1 -63.9 147.2 2.1 -10.9 44.4 114 124 A P >> - 0 0 1 0, 0.0 3,-1.4 0, 0.0 4,-0.7 -0.370 34.7-112.4 -63.5 150.5 1.8 -7.8 46.6 115 125 A K G >4 S+ 0 0 64 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.884 118.9 57.1 -51.8 -41.0 1.4 -8.8 50.3 116 126 A A G 34 S+ 0 0 82 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.785 111.2 41.9 -63.0 -26.6 -2.1 -7.4 50.2 117 127 A W G X4 S+ 0 0 17 -3,-1.4 3,-1.7 1,-0.2 -1,-0.3 0.395 81.3 114.7 -99.7 2.1 -3.0 -9.7 47.3 118 128 A A T << S+ 0 0 68 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.1 0.845 90.6 18.3 -38.8 -53.4 -1.2 -12.7 48.9 119 129 A N T 3 S+ 0 0 152 -4,-0.3 2,-0.4 -3,-0.2 -1,-0.3 -0.286 89.5 122.7-124.0 54.4 -4.4 -14.6 49.4 120 130 A L < - 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0 0 1 -268,-2.8 3,-2.2 -2,-0.3 4,-0.2 -0.741 35.2-107.7-113.8 163.7 41.1 36.6 31.7 727 350 B S G > S+ 0 0 43 1,-0.3 3,-1.6 -2,-0.3 4,-0.2 0.754 114.8 72.8 -60.3 -22.7 44.7 36.3 32.9 728 351 B Y G > S+ 0 0 89 -271,-0.3 3,-0.5 1,-0.3 -1,-0.3 0.603 84.9 65.5 -69.3 -10.2 44.8 33.0 30.9 729 352 B A G X> S+ 0 0 0 -3,-2.2 4,-2.8 -271,-0.3 3,-1.1 0.536 72.7 93.6 -88.6 -6.3 44.9 35.1 27.7 730 353 B A G <4 S+ 0 0 39 -3,-1.6 -1,-0.2 1,-0.3 8,-0.2 0.755 78.9 59.9 -56.9 -26.9 48.3 36.5 28.5 731 354 B E G <4 S+ 0 0 108 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.833 114.3 33.4 -71.0 -34.8 49.9 33.8 26.5 732 355 B Y T <4 S+ 0 0 12 -3,-1.1 -2,-0.2 1,-0.2 -1,-0.1 0.843 137.2 19.3 -89.2 -40.2 48.2 34.7 23.3 733 356 B D <> + 0 0 18 -4,-2.8 5,-2.4 1,-0.1 -1,-0.2 -0.659 64.9 158.3-134.2 77.8 48.0 38.5 23.8 734 357 B P T 5S+ 0 0 78 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.867 73.1 58.9 -67.0 -37.2 50.6 39.6 26.4 735 358 B E T 5S+ 0 0 163 3,-0.2 4,-0.2 2,-0.1 -2,-0.1 0.928 125.2 7.1 -58.7 -52.6 50.7 43.2 25.2 736 359 B D T >>5S+ 0 0 61 2,-0.1 4,-1.5 3,-0.1 3,-1.1 0.895 138.9 31.1 -98.3 -71.3 47.0 44.1 25.6 737 360 B A H 3>5S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 -7,-0.2 0.861 111.4 71.1 -58.3 -34.8 45.0 41.4 27.4 738 361 B G H 34 + 0 0 13 -45,-0.3 3,-2.3 -91,-0.2 -45,-0.3 0.129 64.4 119.8-137.1 21.4 30.9 48.4 28.4 747 370 B D G > S+ 0 0 0 1,-0.3 3,-0.9 2,-0.2 5,-0.2 0.800 79.2 58.8 -58.7 -26.4 28.4 47.7 31.1 748 371 B N G 3 S+ 0 0 0 1,-0.2 -103,-2.4 -91,-0.2 -102,-0.9 0.272 101.2 55.0 -87.1 12.4 27.4 51.4 30.9 749 372 B Q G < S+ 0 0 5 -3,-2.3 -106,-0.4 -105,-0.3 -1,-0.2 0.207 82.3 115.6-124.5 9.8 26.5 51.1 27.2 750 373 B A < - 0 0 0 -3,-0.9 -50,-0.2 2,-0.2 -105,-0.1 -0.216 68.9-133.6 -73.3 169.5 24.0 48.2 27.6 751 374 B L S S+ 0 0 1 -52,-3.5 8,-3.0 2,-0.1 2,-0.3 0.162 94.1 66.1-106.2 11.8 20.3 48.6 26.8 752 375 B F B S-Z 758 0L 0 -53,-0.5 -2,-0.2 6,-0.3 -51,-0.1 -0.931 90.1-114.2-127.7 151.1 19.7 46.9 30.2 753 376 B D > - 0 0 35 4,-3.0 3,-2.3 -2,-0.3 -2,-0.1 -0.238 43.6 -85.8 -81.0 176.1 20.6 48.3 33.6 754 377 B F T 3 S+ 0 0 45 1,-0.3 -1,-0.1 2,-0.1 -6,-0.0 0.639 129.3 51.1 -56.1 -15.0 23.2 46.8 35.9 755 378 B K T 3 S- 0 0 133 2,-0.1 -1,-0.3 -337,-0.1 -336,-0.1 0.316 122.0 -99.0-106.6 6.1 20.5 44.4 37.3 756 379 B G S < S+ 0 0 0 -3,-2.3 -335,-2.8 1,-0.3 -2,-0.1 0.608 76.8 136.3 89.6 11.6 19.2 43.0 34.0 757 380 B R - 0 0 141 -337,-0.2 -4,-3.0 1,-0.1 -1,-0.3 -0.777 61.0-108.3 -93.5 136.1 16.1 45.2 33.6 758 381 B P B -Z 752 0L 20 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.364 30.6-133.8 -64.5 137.7 15.5 46.6 30.1 759 382 B L > - 0 0 15 -8,-3.0 3,-1.9 1,-0.1 4,-0.3 -0.502 24.5-108.7 -85.7 159.8 16.1 50.4 29.8 760 383 B P G > S+ 0 0 59 0, 0.0 3,-2.1 0, 0.0 -371,-0.2 0.838 115.1 70.5 -56.6 -32.3 13.6 52.6 28.0 761 384 B S G > S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.632 77.1 78.1 -62.4 -13.9 16.1 53.0 25.2 762 385 B L G X S+ 0 0 3 -3,-1.9 3,-1.1 -11,-0.3 -1,-0.3 0.812 83.0 68.5 -64.8 -25.6 15.5 49.3 24.2 763 386 B H G X> S+ 0 0 46 -3,-2.1 4,-2.4 -4,-0.3 3,-1.0 0.568 72.4 91.4 -68.4 -9.6 12.4 50.7 22.6 764 387 B V H <> S+ 0 0 0 -3,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.839 76.8 62.4 -58.0 -32.8 14.4 52.5 20.0 765 388 B F H <4 S+ 0 0 3 -3,-1.1 -1,-0.2 -4,-0.2 4,-0.2 0.849 112.7 34.4 -62.6 -34.1 14.2 49.5 17.6 766 389 B Q H X> S+ 0 0 90 -3,-1.0 3,-1.1 -4,-0.2 4,-0.7 0.863 114.6 56.7 -87.7 -39.4 10.4 49.8 17.3 767 390 B Y H 3X S+ 0 0 50 -4,-2.4 4,-3.3 1,-0.2 -2,-0.2 0.674 88.2 73.1 -68.5 -20.0 10.1 53.5 17.6 768 391 B V H 3< S+ 0 0 0 -4,-1.4 -374,-2.6 1,-0.2 -1,-0.2 0.790 97.1 53.6 -66.0 -22.4 12.3 54.4 14.6 769 392 B D H <4 S+ 0 0 64 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.894 131.5 8.5 -76.2 -41.3 9.5 53.1 12.3 770 393 B T H < S- 0 0 88 -4,-0.7 -377,-0.3 1,-0.1 -2,-0.2 0.688 97.5-128.3-112.1 -29.0 6.8 55.3 13.8 771 394 B G < - 0 0 6 -4,-3.3 -379,-0.2 -379,-0.2 -1,-0.1 -0.228 64.4 -21.7 93.6 167.5 8.4 57.7 16.1 772 395 B T S S- 0 0 39 -381,-2.6 -379,-0.1 -2,-0.1 2,-0.1 -0.343 78.8-135.0 -58.5 124.1 7.2 58.1 19.7 773 396 B P 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.270 360.0 360.0 -74.7 155.0 3.5 56.9 20.0 774 397 B F 0 0 249 -2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.781 360.0 360.0-115.2 360.0 0.5 58.4 21.6