==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-OCT-03 1UR0 . COMPND 2 MOLECULE: GALACTANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR C.RYTTERSGAARD,J.LE NOURS,L.LO LEGGIO,C.T.JORGENSEN, . 773 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29236.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 538 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 2.3 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 . 5 0.6 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 . 56 7.2 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 . 217 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.7 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 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 4 4 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 . 9 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,-0.4 0, 0.0 283,-0.0 0.000 360.0 360.0 360.0 8.0 35.9 15.7 23.5 2 12 A L - 0 0 22 371,-0.1 2,-0.3 2,-0.0 282,-0.0 -0.625 360.0-159.2 -82.9 133.0 32.8 13.6 23.0 3 13 A Y + 0 0 125 -2,-0.4 2,-0.3 383,-0.1 374,-0.0 -0.851 13.3 174.2-109.0 143.5 32.1 12.3 19.5 4 14 A V - 0 0 3 -2,-0.3 381,-1.6 376,-0.1 2,-0.3 -0.865 23.7-140.4-152.7 114.4 28.6 11.2 18.3 5 15 A E - 0 0 109 -2,-0.3 379,-0.2 379,-0.2 3,-0.1 -0.596 40.6 -96.5 -75.9 133.2 27.8 10.2 14.7 6 16 A K - 0 0 101 377,-0.4 2,-0.4 -2,-0.3 376,-0.2 -0.171 36.6-119.1 -50.9 133.0 24.4 11.5 13.7 7 17 A V > - 0 0 3 374,-2.2 3,-1.0 373,-0.1 2,-0.3 -0.649 34.9-117.1 -75.1 128.6 21.7 8.8 14.0 8 18 A S T 3 S- 0 0 75 -2,-0.4 -1,-0.1 1,-0.2 374,-0.0 -0.512 85.7 -2.3 -74.0 128.4 20.3 8.2 10.5 9 19 A G T 3 S+ 0 0 76 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.689 81.5 172.9 70.4 19.8 16.6 8.9 9.9 10 20 A L < - 0 0 16 -3,-1.0 -1,-0.2 371,-0.2 2,-0.1 -0.493 31.4-130.1 -67.0 118.3 16.0 9.9 13.5 11 21 A R > - 0 0 73 -2,-0.4 3,-1.1 1,-0.1 -1,-0.1 -0.419 14.6-129.9 -64.6 144.5 12.5 11.3 13.8 12 22 A K T 3 S+ 0 0 185 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.745 105.5 54.5 -75.2 -21.1 12.6 14.6 15.6 13 23 A D T 3 S+ 0 0 117 2,-0.1 -1,-0.3 293,-0.0 3,-0.1 0.229 80.2 145.6 -92.7 15.0 9.8 13.8 18.1 14 24 A F < - 0 0 0 -3,-1.1 2,-0.5 1,-0.1 292,-0.2 -0.235 57.2-111.1 -54.7 132.7 11.8 10.7 19.1 15 25 A I E -a 306 0A 18 290,-3.1 292,-2.4 1,-0.1 2,-0.6 -0.557 34.0-176.7 -73.1 119.5 11.4 9.9 22.7 16 26 A K E +a 307 0A 15 -2,-0.5 37,-2.9 290,-0.2 38,-1.1 -0.890 24.1 162.4-117.7 95.0 14.7 10.4 24.6 17 27 A G E -ab 308 54A 0 290,-2.2 292,-2.7 -2,-0.6 2,-0.3 -0.680 28.2-158.3-117.5 170.1 13.9 9.3 28.2 18 28 A V E -ab 309 55A 0 36,-1.8 38,-2.8 290,-0.3 2,-0.7 -0.982 15.6-139.6-142.3 148.3 15.6 8.3 31.4 19 29 A D E +ab 310 56A 0 290,-2.1 292,-2.0 -2,-0.3 294,-0.3 -0.952 28.5 164.5-111.6 108.2 14.4 6.3 34.4 20 30 A V > + 0 0 0 36,-0.8 3,-1.9 -2,-0.7 4,-0.2 -0.345 18.1 143.9-118.6 47.6 15.8 8.0 37.5 21 31 A S T > + 0 0 0 1,-0.3 3,-0.7 35,-0.2 4,-0.4 0.813 67.7 58.8 -56.8 -34.3 13.5 6.2 39.9 22 32 A S T 3> S+ 0 0 1 1,-0.2 4,-2.6 -3,-0.2 -1,-0.3 0.502 77.1 99.0 -76.2 -3.2 16.2 6.1 42.6 23 33 A I H <> S+ 0 0 2 -3,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.849 80.3 49.4 -53.8 -40.0 16.6 9.9 42.6 24 34 A I H <> S+ 0 0 4 -3,-0.7 4,-2.4 -4,-0.2 5,-0.3 0.979 112.7 44.1 -67.2 -54.5 14.4 10.4 45.7 25 35 A A H > S+ 0 0 0 -4,-0.4 4,-1.0 49,-0.3 310,-0.3 0.920 115.6 51.1 -54.7 -43.4 16.1 7.8 47.9 26 36 A L H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 3,-0.4 0.911 109.8 47.9 -61.9 -44.3 19.5 9.1 46.7 27 37 A E H ><5S+ 0 0 68 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.853 109.8 52.1 -66.6 -34.1 18.7 12.7 47.5 28 38 A E H 3<5S+ 0 0 95 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.724 104.4 59.9 -72.6 -18.4 17.4 11.8 50.9 29 39 A S T 3<5S- 0 0 14 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.476 126.2-102.6 -85.6 -4.5 20.8 10.0 51.3 30 40 A G T < 5S+ 0 0 64 -3,-1.2 2,-0.2 1,-0.3 -3,-0.2 0.572 72.9 145.1 94.8 9.8 22.6 13.3 50.8 31 41 A V < - 0 0 18 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.3 -0.595 27.7-168.6 -79.9 142.0 23.6 12.7 47.2 32 42 A A - 0 0 25 -2,-0.2 2,-0.3 336,-0.1 10,-0.1 -0.960 9.2-145.2-133.6 153.3 23.6 15.9 45.0 33 43 A F - 0 0 6 -2,-0.3 8,-2.2 8,-0.2 2,-0.2 -0.840 11.0-168.0-119.7 156.9 23.8 16.6 41.3 34 44 A Y - 0 0 72 335,-2.6 2,-0.2 -2,-0.3 6,-0.2 -0.632 15.3-120.3-128.4-175.9 25.4 19.4 39.2 35 45 A N > - 0 0 14 4,-0.4 3,-1.8 -2,-0.2 8,-0.0 -0.640 45.2 -79.2-122.0-179.8 25.4 20.7 35.7 36 46 A E T 3 S+ 0 0 110 1,-0.3 -1,-0.0 -2,-0.2 334,-0.0 0.901 130.3 52.7 -44.0 -50.8 28.0 21.3 33.0 37 47 A S T 3 S- 0 0 38 2,-0.1 -1,-0.3 1,-0.1 378,-0.0 0.698 118.0-113.4 -62.3 -22.5 29.0 24.5 34.7 38 48 A G < + 0 0 41 -3,-1.8 2,-0.5 1,-0.3 -2,-0.1 0.685 68.9 133.9 97.1 20.0 29.5 22.7 38.0 39 49 A K - 0 0 91 1,-0.0 -4,-0.4 0, 0.0 -1,-0.3 -0.893 65.8-100.0-111.4 133.3 26.8 24.2 40.1 40 50 A K + 0 0 159 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.3 -0.170 59.7 158.1 -44.2 127.4 24.4 22.3 42.3 41 51 A Q - 0 0 36 -8,-2.2 -8,-0.2 -3,-0.0 5,-0.1 -0.984 50.5 -82.7-158.7 147.7 21.1 22.0 40.3 42 52 A D >> - 0 0 58 -2,-0.3 4,-1.6 1,-0.2 3,-1.2 -0.284 36.9-137.1 -52.6 128.4 18.0 19.8 40.1 43 53 A I H 3> S+ 0 0 1 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.860 103.4 61.9 -58.0 -36.1 18.9 16.7 38.1 44 54 A F H 3> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.781 104.1 47.6 -61.6 -28.0 15.6 17.0 36.3 45 55 A K H <> S+ 0 0 93 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.849 111.1 50.2 -81.2 -35.9 16.7 20.5 35.0 46 56 A T H X S+ 0 0 6 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.925 109.9 51.6 -65.0 -44.7 20.1 19.2 33.9 47 57 A L H ><>S+ 0 0 0 -4,-3.0 5,-2.2 2,-0.2 3,-0.5 0.934 109.3 50.4 -56.4 -48.0 18.3 16.3 32.1 48 58 A K H ><5S+ 0 0 85 -4,-1.5 3,-2.2 1,-0.3 -2,-0.2 0.945 110.1 48.4 -56.6 -50.7 16.0 18.7 30.3 49 59 A E H 3<5S+ 0 0 92 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.717 104.7 62.5 -63.1 -20.3 19.0 20.9 29.2 50 60 A A T <<5S- 0 0 5 -4,-1.3 -1,-0.3 -3,-0.5 329,-0.2 0.497 125.3-102.7 -82.8 -3.8 20.6 17.6 28.0 51 61 A G T < 5S+ 0 0 27 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.467 71.5 148.6 97.2 1.9 17.7 17.2 25.6 52 62 A V < + 0 0 1 -5,-2.2 -1,-0.3 -6,-0.2 -35,-0.2 -0.447 18.7 175.5 -67.9 142.7 15.9 14.5 27.6 53 63 A N + 0 0 45 -37,-2.9 41,-1.9 1,-0.2 2,-0.3 0.289 56.7 49.8-132.6 9.2 12.1 14.8 27.0 54 64 A Y E -bc 17 94A 15 -38,-1.1 -36,-1.8 39,-0.3 2,-0.4 -0.994 56.6-158.1-152.9 140.8 10.7 11.8 29.0 55 65 A V E -bc 18 95A 0 39,-2.5 41,-2.7 -2,-0.3 2,-0.4 -0.980 7.8-157.9-124.5 131.5 11.0 10.4 32.5 56 66 A R E -bc 19 96A 1 -38,-2.8 -36,-0.8 -2,-0.4 2,-0.4 -0.859 10.4-173.9-106.4 140.6 10.3 6.8 33.4 57 67 A V E - c 0 97A 0 39,-2.2 41,-3.0 -2,-0.4 2,-0.2 -0.986 17.9-137.2-139.3 126.2 9.5 5.8 37.0 58 68 A R E - c 0 98A 1 -2,-0.4 2,-0.4 39,-0.2 41,-0.2 -0.505 19.6-157.3 -78.7 150.0 9.0 2.3 38.4 59 69 A I E - c 0 99A 0 39,-2.4 41,-2.2 -2,-0.2 42,-0.6 -0.960 9.3-169.5-136.7 118.8 6.1 1.9 40.9 60 70 A W - 0 0 0 16,-3.0 18,-0.4 -2,-0.4 43,-0.2 -0.849 24.6-133.7-104.2 141.7 5.7 -0.8 43.5 61 71 A N S S- 0 0 29 41,-1.8 17,-0.3 -2,-0.4 42,-0.2 0.955 92.8 -7.1 -58.4 -56.7 2.4 -1.2 45.2 62 72 A D + 0 0 74 40,-0.1 2,-2.0 15,-0.1 -1,-0.2 -0.593 65.6 179.7-145.8 77.3 3.8 -1.4 48.8 63 73 A P + 0 0 0 0, 0.0 8,-2.4 0, 0.0 9,-0.4 -0.185 57.8 84.7 -75.8 47.3 7.6 -1.7 48.8 64 74 A Y B S-I 70 0B 42 -2,-2.0 6,-0.2 6,-0.3 2,-0.1 -0.962 74.4-117.4-144.5 160.7 7.8 -1.9 52.6 65 75 A D > - 0 0 17 4,-1.2 3,-2.3 -2,-0.3 4,-0.1 -0.320 53.8 -79.4 -89.0 179.6 7.5 -4.4 55.4 66 76 A A T 3 S+ 0 0 99 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.812 131.8 50.6 -49.6 -32.0 4.8 -4.4 58.1 67 77 A N T 3 S- 0 0 138 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.507 121.2-100.8 -89.5 -3.8 6.7 -1.8 59.9 68 78 A G < + 0 0 50 -3,-2.3 2,-0.8 1,-0.3 -2,-0.1 0.709 68.4 151.1 93.3 21.0 7.2 0.7 57.1 69 79 A N - 0 0 53 272,-0.1 -4,-1.2 -4,-0.1 -1,-0.3 -0.793 47.4-122.6 -89.9 111.2 10.8 -0.3 56.4 70 80 A G B -I 64 0B 11 -2,-0.8 271,-0.3 262,-0.2 -6,-0.3 -0.137 4.8-137.2 -52.7 146.0 11.5 0.3 52.7 71 81 A Y - 0 0 0 -8,-2.4 268,-2.5 1,-0.3 271,-0.2 0.523 44.9-129.8 -80.7 -8.2 12.7 -2.6 50.6 72 82 A G S > S+ 0 0 0 -9,-0.4 3,-2.7 266,-0.3 4,-0.4 -0.606 75.1 115.1 93.8-156.1 15.2 -0.4 49.0 73 83 A G T 3 S- 0 0 0 263,-1.7 3,-0.3 1,-0.3 264,-0.2 0.759 122.1 -49.1 58.0 22.2 15.8 -0.1 45.2 74 84 A G T 3 S- 0 0 0 260,-2.4 -49,-0.3 262,-0.5 -1,-0.3 0.304 75.1-110.1 99.0 -7.4 14.6 3.5 45.6 75 85 A N < - 0 0 12 -3,-2.7 2,-0.8 259,-0.2 5,-0.2 0.925 50.0-166.8 46.4 49.5 11.5 2.5 47.7 76 86 A N + 0 0 0 -4,-0.4 -16,-3.0 -3,-0.3 2,-0.2 -0.589 21.7 148.7 -78.9 108.4 9.5 3.5 44.6 77 87 A D > - 0 0 16 -2,-0.8 4,-2.1 -18,-0.2 3,-0.2 -0.614 64.8 -80.5-123.1-177.1 5.8 3.8 45.5 78 88 A L H > S+ 0 0 41 -18,-0.4 4,-2.0 -17,-0.3 5,-0.2 0.892 125.2 57.0 -55.0 -43.5 3.0 6.0 44.1 79 89 A E H > S+ 0 0 135 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 109.6 42.1 -56.8 -48.4 4.1 8.9 46.3 80 90 A K H > S+ 0 0 15 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.883 109.7 60.1 -68.1 -34.2 7.6 9.1 45.0 81 91 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.898 106.9 47.2 -58.8 -38.0 6.2 8.5 41.5 82 92 A I H X S+ 0 0 33 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.885 110.2 50.9 -71.8 -38.1 4.2 11.7 42.1 83 93 A Q H X S+ 0 0 83 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.921 114.8 44.1 -64.1 -43.4 7.2 13.6 43.4 84 94 A I H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.901 113.6 51.0 -67.1 -42.1 9.2 12.5 40.3 85 95 A G H X S+ 0 0 0 -4,-2.5 4,-3.6 -5,-0.3 5,-0.4 0.966 107.6 51.7 -59.3 -54.6 6.3 13.3 38.0 86 96 A K H X S+ 0 0 114 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.878 114.6 43.5 -48.5 -45.6 5.7 16.8 39.3 87 97 A R H X S+ 0 0 52 -4,-1.6 4,-0.8 -5,-0.2 -1,-0.2 0.876 113.4 51.5 -70.9 -37.7 9.4 17.6 38.8 88 98 A A H ><>S+ 0 0 0 -4,-2.6 5,-1.6 1,-0.2 3,-1.2 0.965 114.0 43.0 -63.1 -52.3 9.4 15.9 35.4 89 99 A T H ><5S+ 0 0 44 -4,-3.6 3,-1.5 1,-0.3 -1,-0.2 0.841 108.3 60.6 -62.0 -32.3 6.4 17.9 34.2 90 100 A A H 3<5S+ 0 0 76 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.2 0.709 107.8 46.5 -67.8 -18.7 8.0 21.0 35.8 91 101 A N T <<5S- 0 0 32 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 -0.038 122.6-102.3-114.0 31.1 10.9 20.5 33.4 92 102 A G T < 5S+ 0 0 48 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.854 79.4 128.0 53.7 45.8 8.9 19.9 30.3 93 103 A M < - 0 0 2 -5,-1.6 -39,-0.3 -8,-0.2 53,-0.2 -0.998 55.4-127.2-132.8 132.4 9.2 16.2 30.1 94 104 A K E -c 54 0A 89 -41,-1.9 -39,-2.5 -2,-0.4 2,-0.4 -0.256 28.2-122.8 -70.0 164.7 6.4 13.6 29.8 95 105 A L E -cd 55 147A 0 51,-1.8 54,-2.2 -41,-0.2 53,-2.0 -0.886 12.5-157.2-116.0 145.6 6.1 10.8 32.3 96 106 A L E -cd 56 149A 0 -41,-2.7 -39,-2.2 -2,-0.4 2,-0.7 -0.972 16.7-151.3-117.1 109.3 6.1 7.0 31.8 97 107 A A E -cd 57 150A 0 52,-2.4 54,-3.6 -2,-0.6 2,-0.8 -0.770 8.8-160.3 -86.0 116.0 4.4 5.4 34.8 98 108 A D E -cd 58 151A 0 -41,-3.0 -39,-2.4 -2,-0.7 2,-0.7 -0.839 3.6-164.6-101.4 99.0 5.9 1.9 35.1 99 109 A F E -cd 59 152A 0 52,-2.2 54,-1.5 -2,-0.8 -39,-0.2 -0.758 12.3-177.0 -86.8 114.6 3.6 -0.3 37.2 100 110 A H - 0 0 2 -41,-2.2 61,-0.4 -2,-0.7 54,-0.3 0.681 26.6-145.8 -80.9 -18.6 5.4 -3.5 38.5 101 111 A Y S S+ 0 0 0 -42,-0.6 60,-0.4 1,-0.2 2,-0.3 0.944 70.7 87.1 49.8 50.1 2.2 -4.7 40.1 102 112 A S S S- 0 0 1 -43,-0.3 -41,-1.8 11,-0.2 -1,-0.2 -0.925 89.2-114.6-163.6 165.5 4.4 -6.2 42.8 103 113 A D S S+ 0 0 0 10,-0.3 2,-0.2 -2,-0.3 -32,-0.2 0.648 95.6 11.0 -86.9 -14.5 5.8 -4.8 46.0 104 114 A F S S- 0 0 2 8,-0.2 8,-0.1 1,-0.2 -43,-0.1 -0.837 111.8 -17.6-148.0-174.7 9.4 -5.2 44.7 105 115 A W - 0 0 33 -2,-0.2 2,-0.5 1,-0.1 7,-0.3 0.113 53.7-161.5 -32.7 127.3 11.5 -5.8 41.6 106 116 A A + 0 0 2 5,-0.1 5,-0.2 -4,-0.1 -1,-0.1 -0.975 31.6 129.0-119.1 116.2 9.6 -7.4 38.8 107 117 A D S S- 0 0 39 3,-2.4 51,-0.2 -2,-0.5 47,-0.1 -0.685 73.0 -57.0-145.2-160.9 11.6 -9.1 36.2 108 118 A P S S+ 0 0 58 0, 0.0 3,-0.1 0, 0.0 47,-0.0 0.779 136.4 30.0 -60.6 -26.7 11.9 -12.4 34.2 109 119 A A S S+ 0 0 92 1,-0.2 2,-0.5 48,-0.0 -3,-0.0 0.570 118.6 57.7-107.3 -13.2 12.3 -14.4 37.5 110 120 A K + 0 0 31 49,-0.1 -3,-2.4 1,-0.1 -1,-0.2 -0.950 41.6 137.7-128.6 115.9 10.3 -12.2 39.8 111 121 A Q + 0 0 23 -2,-0.5 51,-2.5 -5,-0.2 49,-0.2 -0.416 30.7 169.6-146.3 55.3 6.6 -11.3 39.4 112 122 A K - 0 0 105 -7,-0.3 49,-0.3 49,-0.2 -8,-0.2 -0.487 38.1-109.1 -75.3 142.1 5.4 -11.8 42.9 113 123 A A - 0 0 14 48,-0.2 -10,-0.3 -2,-0.2 -11,-0.2 -0.309 41.6 -94.7 -67.6 151.9 1.9 -10.6 43.7 114 124 A P >> - 0 0 1 0, 0.0 3,-1.8 0, 0.0 4,-1.0 -0.426 37.5-113.9 -63.9 150.0 1.7 -7.5 45.9 115 125 A K G >4 S+ 0 0 62 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.877 116.9 59.7 -53.4 -37.9 1.3 -8.5 49.6 116 126 A A G 34 S+ 0 0 83 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.718 111.3 39.0 -64.5 -21.7 -2.2 -7.0 49.6 117 127 A W G X4 S+ 0 0 17 -3,-1.8 3,-1.5 1,-0.1 -1,-0.3 0.455 83.0 118.0-104.1 -5.6 -3.3 -9.3 46.7 118 128 A A T << S+ 0 0 63 -4,-1.0 2,-0.1 -3,-0.8 -2,-0.1 0.746 89.1 17.5 -29.0 -53.3 -1.3 -12.3 48.2 119 129 A N T 3 S+ 0 0 150 -4,-0.3 2,-0.4 -3,-0.2 -1,-0.3 -0.495 91.5 124.8-129.3 66.8 -4.4 -14.4 48.7 120 130 A L < - 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0 0 1 -2,-2.0 52,-0.1 1,-0.1 46,-0.1 -0.238 42.8 -74.8 -78.1 167.5 26.5 44.0 32.1 703 326 B P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -52,-0.1 -0.257 20.6-145.3 -64.6 145.6 28.4 43.5 35.4 704 327 B V S S- 0 0 24 1,-0.3 -53,-0.1 -53,-0.1 -2,-0.0 0.713 87.5 -14.1 -79.3 -20.6 28.7 40.1 37.0 705 328 B G S S- 0 0 5 -55,-0.1 -1,-0.3 -287,-0.0 -287,-0.0 -0.973 93.3 -58.9-169.5 167.3 28.6 42.0 40.2 706 329 B P > - 0 0 38 0, 0.0 3,-1.5 0, 0.0 7,-0.2 -0.090 48.0-111.5 -57.3 154.0 28.9 45.6 41.8 707 330 B A G > S+ 0 0 42 -57,-0.5 3,-0.8 1,-0.3 -56,-0.1 0.799 116.5 58.5 -56.5 -32.6 31.9 47.7 41.4 708 331 B H G 3 S+ 0 0 162 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.720 96.1 63.4 -73.4 -18.4 32.8 47.5 45.1 709 332 B R G <> + 0 0 105 -3,-1.5 4,-3.1 1,-0.2 -1,-0.3 -0.148 67.1 139.6 -95.4 38.0 32.9 43.7 44.7 710 333 B L H <> + 0 0 58 -3,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.866 69.1 44.0 -47.6 -51.6 35.9 44.1 42.4 711 334 B E H > S+ 0 0 129 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.885 114.6 48.1 -66.7 -39.9 37.9 41.2 43.7 712 335 B K H > S+ 0 0 116 1,-0.2 4,-1.1 2,-0.2 3,-0.4 0.926 111.0 54.0 -66.1 -41.0 35.0 38.8 43.9 713 336 B N H >X S+ 0 0 2 -4,-3.1 4,-2.5 1,-0.2 3,-0.8 0.914 100.0 58.7 -57.2 -48.1 34.1 39.9 40.4 714 337 B K H 3X S+ 0 0 89 -4,-2.2 4,-2.9 1,-0.3 5,-0.3 0.872 98.6 61.5 -50.9 -38.7 37.6 39.0 39.1 715 338 B A H 3X S+ 0 0 53 -4,-1.2 4,-2.4 -3,-0.4 -1,-0.3 0.922 108.7 41.3 -54.0 -46.5 37.0 35.5 40.3 716 339 B L H - 0 0 1 -268,-3.0 3,-2.3 -2,-0.3 4,-0.1 -0.765 35.9-106.4-113.6 163.2 41.3 36.6 31.4 727 350 B S G > S+ 0 0 35 1,-0.3 3,-1.9 -2,-0.3 4,-0.2 0.789 115.0 73.8 -55.9 -27.5 44.9 36.4 32.6 728 351 B Y G 3 S+ 0 0 89 -271,-0.3 3,-0.4 1,-0.3 4,-0.3 0.562 84.2 64.8 -65.5 -7.9 45.1 33.2 30.5 729 352 B A G <> S+ 0 0 0 -3,-2.3 4,-2.6 -271,-0.2 -1,-0.3 0.345 71.8 96.4 -96.6 6.7 45.2 35.3 27.4 730 353 B A T <4 S+ 0 0 41 -3,-1.9 -1,-0.2 1,-0.2 8,-0.2 0.808 82.4 53.8 -63.6 -30.3 48.6 36.7 28.3 731 354 B E T 4 S+ 0 0 97 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.950 114.9 35.6 -68.2 -54.1 50.2 34.1 26.2 732 355 B Y T 4 S+ 0 0 8 -4,-0.3 -2,-0.2 1,-0.3 -1,-0.1 0.844 136.1 22.9 -70.9 -37.0 48.3 34.8 22.9 733 356 B D <> + 0 0 20 -4,-2.6 5,-2.1 1,-0.1 -1,-0.3 -0.654 69.7 162.8-134.4 77.3 48.1 38.6 23.5 734 357 B P T 5S+ 0 0 81 0, 0.0 5,-0.3 0, 0.0 -1,-0.1 0.901 73.4 48.5 -61.5 -47.5 51.0 39.7 25.8 735 358 B E T 5S+ 0 0 164 3,-0.2 4,-0.4 2,-0.1 -2,-0.1 0.909 126.1 16.4 -66.2 -45.0 50.9 43.4 25.1 736 359 B D T > 5S+ 0 0 56 2,-0.1 3,-1.0 -6,-0.1 5,-0.2 0.899 135.0 28.3 -93.1 -80.1 47.2 44.1 25.4 737 360 B A G >>5S+ 0 0 0 1,-0.2 4,-1.4 3,-0.2 3,-1.4 0.836 113.2 71.9 -51.0 -33.6 45.1 41.5 27.1 738 361 B G G 34 + 0 0 11 -45,-0.3 3,-2.6 -91,-0.2 -45,-0.2 0.182 65.4 120.3-136.4 18.6 31.2 48.4 28.1 747 370 B D G > S+ 0 0 0 1,-0.3 3,-0.9 2,-0.2 5,-0.2 0.793 79.4 57.9 -55.4 -27.8 28.6 47.7 30.9 748 371 B N G 3 S+ 0 0 1 1,-0.2 -103,-2.5 -91,-0.2 -102,-1.1 0.307 101.3 56.9 -87.1 10.2 27.6 51.4 30.7 749 372 B Q G < S+ 0 0 5 -3,-2.6 -106,-0.5 -105,-0.3 -1,-0.2 0.242 83.3 111.2-119.9 8.7 26.8 51.0 27.0 750 373 B A S < S- 0 0 0 -3,-0.9 -50,-0.2 -4,-0.2 -105,-0.1 -0.250 70.6-131.9 -77.0 170.5 24.3 48.2 27.4 751 374 B L S S+ 0 0 0 -52,-3.4 8,-2.7 2,-0.1 2,-0.3 0.069 92.5 66.0-107.9 18.2 20.5 48.6 26.7 752 375 B F B S-Y 758 0K 0 -53,-0.4 -2,-0.2 6,-0.3 -51,-0.0 -0.947 90.4-110.9-132.9 152.2 19.9 46.9 30.1 753 376 B D > - 0 0 34 4,-3.4 3,-2.1 -2,-0.3 -51,-0.1 -0.214 48.1 -82.7 -77.9 176.2 20.7 48.3 33.5 754 377 B F T 3 S+ 0 0 38 1,-0.3 -1,-0.1 2,-0.1 -6,-0.0 0.542 129.3 50.3 -58.9 -3.2 23.4 46.7 35.7 755 378 B K T 3 S- 0 0 115 2,-0.2 -1,-0.3 -337,-0.1 -336,-0.1 0.145 122.6 -93.7-123.5 21.5 20.9 44.1 36.9 756 379 B G S < S+ 0 0 0 -3,-2.1 -335,-2.7 1,-0.3 -2,-0.1 0.519 79.3 134.5 85.4 4.8 19.5 42.8 33.7 757 380 B R - 0 0 143 -337,-0.2 -4,-3.4 1,-0.1 -1,-0.3 -0.734 60.6-112.9 -89.1 133.1 16.4 45.1 33.4 758 381 B P B -Y 752 0K 18 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.376 26.6-132.7 -65.4 142.3 15.9 46.6 30.0 759 382 B L > - 0 0 15 -8,-2.7 3,-2.7 1,-0.1 4,-0.4 -0.621 26.6-108.7 -89.3 153.6 16.3 50.3 29.8 760 383 B P G > S+ 0 0 61 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.805 115.7 73.2 -54.3 -22.8 13.7 52.3 28.0 761 384 B S G > S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.613 76.5 76.0 -66.6 -11.9 16.3 52.8 25.2 762 385 B L G X S+ 0 0 2 -3,-2.7 3,-1.1 1,-0.3 -1,-0.3 0.800 83.0 70.0 -67.9 -23.9 15.8 49.2 24.2 763 386 B H G X> S+ 0 0 36 -3,-1.9 4,-2.4 -4,-0.4 3,-0.7 0.509 71.6 91.9 -69.8 -4.2 12.6 50.5 22.6 764 387 B V H <> S+ 0 0 0 -3,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.839 76.2 62.1 -61.6 -33.1 14.6 52.3 20.0 765 388 B F H <4 S+ 0 0 1 -3,-1.1 -1,-0.2 -4,-0.2 4,-0.2 0.826 112.9 34.8 -65.1 -31.0 14.4 49.3 17.6 766 389 B Q H X> S+ 0 0 66 -3,-0.7 3,-2.2 -4,-0.3 4,-0.8 0.937 113.9 55.7 -85.7 -54.4 10.7 49.6 17.4 767 390 B Y H 3X S+ 0 0 38 -4,-2.4 4,-1.2 1,-0.3 -2,-0.2 0.636 89.9 72.6 -54.4 -20.7 10.2 53.3 17.6 768 391 B V H 3< S+ 0 0 0 -4,-1.4 -374,-2.2 -5,-0.2 -1,-0.3 0.819 101.1 50.1 -65.4 -23.7 12.5 54.1 14.6 769 392 B D H <4 S+ 0 0 64 -3,-2.2 -2,-0.2 -4,-0.2 -1,-0.2 0.950 132.4 8.8 -74.2 -55.6 9.6 52.7 12.6 770 393 B T H < S- 0 0 90 -4,-0.8 -377,-0.3 1,-0.2 2,-0.2 0.853 97.2-128.6 -94.3 -44.3 6.7 54.7 14.1 771 394 B G < - 0 0 7 -4,-1.2 -379,-0.2 -379,-0.2 -1,-0.2 -0.389 65.7 -18.5 105.7 168.5 8.3 57.3 16.3 772 395 B T S S- 0 0 40 -381,-1.6 2,-0.1 -2,-0.2 -382,-0.1 -0.178 79.6-124.1 -47.2 123.8 7.2 57.8 19.9 773 396 B P 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -6,-0.0 -0.389 360.0 360.0 -71.9 146.8 3.8 56.1 20.4 774 397 B F 0 0 258 -2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.926 360.0 360.0 -95.3 360.0 0.8 58.2 21.7