==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-MAR-08 2VQU . COMPND 2 MOLECULE: BETA-MANNOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR L.E.TAILFORD,W.A.OFFEN,N.L.SMITH,C.DUMON,C.MORELAND, . 1675 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61404.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1198 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 79 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 412 24.6 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 19 1.1 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 . 194 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 165 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 266 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.0 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 8 0 1 5 0 3 3 2 2 2 0 2 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 1 3 8 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 . 9 10 4 8 1 7 8 7 3 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 10 8 0 2 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 28 A N 0 0 129 0, 0.0 2,-0.2 0, 0.0 294,-0.1 0.000 360.0 360.0 360.0-120.4 19.2 37.2 40.0 2 29 A D - 0 0 30 2,-0.2 292,-0.2 292,-0.1 293,-0.1 -0.743 360.0 -71.7-153.8-169.6 21.7 36.5 42.8 3 30 A T S S+ 0 0 50 290,-2.3 291,-0.1 -2,-0.2 292,-0.1 0.479 88.5 110.2 -84.7 -1.8 23.6 38.2 45.7 4 31 A S - 0 0 18 289,-0.2 2,-0.4 290,-0.2 187,-0.2 -0.318 59.0-141.2 -68.6 156.4 26.0 40.2 43.5 5 32 A E E -A 190 0A 83 185,-2.7 185,-2.6 69,-0.1 2,-0.4 -0.976 10.3-153.4-116.6 137.3 25.7 44.0 43.3 6 33 A V E -A 189 0A 57 -2,-0.4 2,-0.5 183,-0.2 183,-0.2 -0.907 4.5-163.9-112.2 134.4 26.2 46.0 40.1 7 34 A M E -A 188 0A 39 181,-3.1 181,-2.6 -2,-0.4 2,-0.7 -0.979 15.6-142.2-112.7 124.0 27.3 49.6 39.9 8 35 A L E -A 187 0A 91 -2,-0.5 2,-1.8 179,-0.2 3,-0.3 -0.776 1.6-154.5 -88.4 113.6 26.7 51.3 36.5 9 36 A L + 0 0 9 177,-2.0 177,-0.3 -2,-0.7 -1,-0.1 -0.518 58.1 117.7 -85.2 74.0 29.6 53.6 35.6 10 37 A D + 0 0 30 -2,-1.8 18,-0.4 175,-0.1 2,-0.3 0.236 58.3 60.0-127.2 7.7 27.3 55.8 33.4 11 38 A T S S+ 0 0 73 -3,-0.3 16,-0.1 16,-0.1 0, 0.0 -0.948 86.7 32.5-137.5 155.5 27.4 59.2 35.1 12 39 A G S S+ 0 0 60 -2,-0.3 55,-0.3 1,-0.2 2,-0.2 0.625 73.8 150.1 78.9 17.8 30.0 61.9 36.0 13 40 A W - 0 0 4 13,-0.5 13,-2.7 53,-0.1 2,-0.3 -0.494 23.7-170.3 -81.0 146.2 32.3 61.2 33.1 14 41 A E E -DE 25 65B 61 51,-2.8 51,-2.5 11,-0.3 2,-0.3 -0.947 3.9-155.0-130.6 160.5 34.5 64.0 31.6 15 42 A F E -DE 24 64B 4 9,-2.3 9,-2.0 -2,-0.3 2,-0.3 -0.917 5.4-166.9-133.5 162.0 36.5 64.2 28.5 16 43 A S E - E 0 63B 4 47,-2.4 47,-2.8 -2,-0.3 2,-0.5 -0.994 29.0-122.4-147.9 134.5 39.5 66.1 27.1 17 44 A Q E > - E 0 62B 60 5,-0.4 3,-1.4 -2,-0.3 5,-0.4 -0.691 58.6-101.2 -67.1 127.4 41.3 66.7 23.9 18 45 A S T 3 S+ 0 0 19 43,-2.6 43,-0.2 -2,-0.5 -1,-0.1 -0.311 101.2 17.6 -65.3 133.7 44.7 65.4 24.8 19 46 A G T 3 S+ 0 0 76 -2,-0.1 -1,-0.3 -3,-0.0 43,-0.0 0.555 104.0 90.7 88.4 12.2 47.4 67.9 25.7 20 47 A T S < S- 0 0 65 -3,-1.4 -2,-0.2 2,-0.1 3,-0.1 0.666 75.2-147.0-107.6 -24.4 44.9 70.6 26.3 21 48 A E + 0 0 176 -4,-0.4 2,-0.5 1,-0.2 -3,-0.1 0.549 57.0 127.9 66.0 11.6 44.2 70.1 30.1 22 49 A K - 0 0 129 -5,-0.4 -5,-0.4 2,-0.0 2,-0.4 -0.871 41.0-166.1-103.2 122.4 40.6 71.2 29.5 23 50 A W + 0 0 57 -2,-0.5 -7,-0.2 -7,-0.1 41,-0.1 -0.865 8.8 177.6-110.9 143.9 37.8 69.0 30.7 24 51 A M E -D 15 0B 40 -9,-2.0 -9,-2.3 -2,-0.4 15,-0.0 -0.957 41.7 -83.6-136.8 153.4 34.1 69.1 29.8 25 52 A P E -D 14 0B 89 0, 0.0 2,-0.3 0, 0.0 -11,-0.3 -0.247 49.1-163.2 -57.9 145.2 31.2 66.9 30.9 26 53 A A - 0 0 16 -13,-2.7 -13,-0.5 2,-0.0 2,-0.5 -0.912 17.3-131.0-131.4 161.0 30.7 63.6 28.8 27 54 A T - 0 0 65 -2,-0.3 4,-0.1 4,-0.2 -16,-0.1 -0.945 29.9-135.5-115.5 127.7 28.1 61.0 28.2 28 55 A V S S+ 0 0 2 -2,-0.5 2,-0.2 -18,-0.4 155,-0.1 -1.000 90.1 43.2-136.2 130.8 29.0 57.4 28.5 29 56 A P S S+ 0 0 36 0, 0.0 2,-0.3 0, 0.0 154,-0.2 0.508 107.5 96.5 -60.2 153.1 28.3 55.2 26.6 30 57 A G - 0 0 6 152,-2.3 2,-0.3 -2,-0.2 -2,-0.1 -0.941 65.0 -95.0 174.7-167.1 29.1 57.6 23.8 31 58 A T > - 0 0 1 -2,-0.3 4,-1.8 -4,-0.1 150,-0.2 -0.955 28.3-117.3-142.1 153.6 31.6 59.0 21.4 32 59 A V H > S+ 0 0 0 148,-2.1 4,-2.3 -2,-0.3 5,-0.2 0.920 115.9 55.4 -55.1 -45.3 34.1 61.8 21.2 33 60 A H H > S+ 0 0 3 147,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.909 108.6 45.0 -58.5 -48.3 32.0 63.3 18.3 34 61 A Q H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.853 111.3 54.5 -63.5 -37.1 28.8 63.4 20.3 35 62 A D H < S+ 0 0 0 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.905 112.7 42.6 -64.5 -40.2 30.6 64.9 23.3 36 63 A L H ><>S+ 0 0 5 -4,-2.3 3,-2.8 2,-0.2 5,-2.1 0.971 112.3 52.5 -69.3 -55.8 32.0 67.7 21.2 37 64 A I H ><5S+ 0 0 40 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.883 103.9 60.0 -40.6 -47.6 28.7 68.3 19.4 38 65 A S T 3<5S+ 0 0 58 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.544 110.0 40.3 -66.0 -9.3 27.0 68.6 22.8 39 66 A H T < 5S- 0 0 55 -3,-2.8 -1,-0.3 -4,-0.1 -2,-0.2 0.238 120.1-108.3-118.4 10.7 29.2 71.5 23.7 40 67 A E T < 5S+ 0 0 179 -3,-2.0 -3,-0.2 -4,-0.4 -2,-0.1 0.832 81.0 130.6 65.8 39.6 29.0 73.1 20.2 41 68 A L < + 0 0 83 -5,-2.1 -4,-0.2 -8,-0.1 -5,-0.1 0.399 69.8 38.7-106.3 0.7 32.6 72.2 19.3 42 69 A L S S- 0 0 13 -6,-0.3 -1,-0.1 -5,-0.1 -2,-0.1 -0.983 84.9-119.9-140.1 149.2 31.5 70.6 16.1 43 70 A P - 0 0 46 0, 0.0 -6,-0.1 0, 0.0 -2,-0.1 -0.277 60.6 -66.8 -71.7 168.4 28.9 71.7 13.5 44 71 A N > - 0 0 72 1,-0.2 3,-1.3 2,-0.1 6,-0.2 -0.487 50.1-149.8 -57.3 114.1 26.0 69.3 12.7 45 72 A P T 3 S+ 0 0 9 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.745 91.7 53.5 -65.3 -21.2 28.2 66.6 11.1 46 73 A F T 3 S+ 0 0 17 4,-0.1 2,-0.3 496,-0.1 5,-0.1 0.529 88.3 98.0 -89.8 -9.4 25.2 65.6 8.9 47 74 A Y S X S- 0 0 120 -3,-1.3 3,-1.8 3,-0.1 496,-0.1 -0.637 90.4 -55.6 -85.4 129.0 24.4 69.1 7.4 48 75 A G T 3 S- 0 0 18 495,-1.2 3,-0.2 -2,-0.3 510,-0.1 -0.112 113.7 -15.3 61.6-120.9 25.6 70.4 4.0 49 76 A M T > S+ 0 0 84 1,-0.1 3,-1.4 2,-0.1 4,-0.4 0.330 99.2 116.9-106.2 6.2 29.4 70.3 3.3 50 77 A N T < + 0 0 19 -3,-1.8 4,-0.3 1,-0.3 -2,-0.1 0.379 47.5 87.3 -57.0 -8.8 30.2 69.8 7.0 51 78 A E T >> S+ 0 0 36 1,-0.2 3,-1.3 -3,-0.2 4,-0.5 0.940 92.3 46.3 -54.8 -48.4 31.8 66.4 6.5 52 79 A K G X4 S+ 0 0 181 -3,-1.4 3,-0.6 1,-0.2 4,-0.3 0.804 105.6 63.6 -64.7 -27.4 35.2 68.1 5.8 53 80 A K G 34 S+ 0 0 125 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.473 105.7 42.1 -74.8 -7.1 34.6 70.3 8.8 54 81 A I G X4 S+ 0 0 0 -3,-1.3 3,-1.3 -4,-0.3 -1,-0.2 0.482 84.0 94.1-120.8 -5.8 34.7 67.5 11.4 55 82 A Q G X< + 0 0 42 -3,-0.6 3,-1.8 -4,-0.5 4,-0.3 0.751 67.4 76.6 -59.9 -31.6 37.6 65.3 10.1 56 83 A W G >> S+ 0 0 97 -4,-0.3 3,-1.4 1,-0.3 4,-0.5 0.720 79.6 74.4 -55.9 -22.9 40.2 67.0 12.4 57 84 A V G X4 S+ 0 0 3 -3,-1.3 3,-1.0 1,-0.3 -1,-0.3 0.823 87.1 60.1 -62.1 -33.7 38.8 65.0 15.3 58 85 A E G <4 S+ 0 0 12 -3,-1.8 75,-0.7 1,-0.3 76,-0.5 0.618 99.6 57.2 -73.0 -15.6 40.4 61.8 14.0 59 86 A N G <4 S+ 0 0 62 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.619 96.8 78.4 -88.3 -13.3 43.9 63.3 14.3 60 87 A E S << S- 0 0 60 -3,-1.0 2,-0.3 -4,-0.5 73,-0.2 -0.550 75.6-127.8 -93.6 157.9 43.6 64.1 18.0 61 88 A D - 0 0 38 -43,-0.2 -43,-2.6 -2,-0.2 2,-0.4 -0.779 27.0-149.6 -97.1 154.7 44.0 61.8 21.0 62 89 A W E -EF 17 129B 4 67,-2.4 67,-3.0 -2,-0.3 2,-0.4 -0.985 7.3-157.0-136.5 134.6 41.1 61.8 23.6 63 90 A E E -EF 16 128B 47 -47,-2.8 -47,-2.4 -2,-0.4 2,-0.4 -0.900 5.6-170.1-117.1 143.2 41.0 61.3 27.3 64 91 A Y E +EF 15 127B 2 63,-2.6 63,-3.2 -2,-0.4 2,-0.3 -0.970 7.7 177.4-131.0 140.7 38.1 60.2 29.5 65 92 A R E +EF 14 126B 59 -51,-2.5 -51,-2.8 -2,-0.4 2,-0.3 -0.993 7.1 167.9-146.0 149.2 37.8 60.1 33.3 66 93 A T E - F 0 125B 5 59,-2.2 59,-2.7 -2,-0.3 2,-0.3 -0.955 17.3-146.3-150.2 160.6 35.3 59.3 36.0 67 94 A S E + F 0 124B 52 -2,-0.3 2,-0.3 -55,-0.3 57,-0.2 -0.933 15.9 179.5-127.6 153.2 35.4 58.8 39.8 68 95 A F E - F 0 123B 14 55,-1.8 55,-2.1 -2,-0.3 2,-0.4 -0.989 24.6-117.8-151.2 156.9 33.3 56.5 42.0 69 96 A I E - F 0 122B 107 -2,-0.3 2,-0.4 53,-0.2 53,-0.2 -0.795 19.7-167.3 -98.6 138.6 33.0 55.5 45.7 70 97 A V E - F 0 121B 1 51,-2.0 51,-2.8 -2,-0.4 2,-0.2 -0.990 16.4-139.0-122.3 135.7 33.6 52.1 47.1 71 98 A S > - 0 0 38 -2,-0.4 4,-2.7 49,-0.2 5,-0.2 -0.489 23.0-114.2 -91.6 160.7 32.5 51.2 50.6 72 99 A E H > S+ 0 0 104 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.864 120.7 52.3 -55.4 -38.1 34.3 49.2 53.2 73 100 A E H 4 S+ 0 0 136 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.845 109.5 46.8 -67.5 -39.9 31.5 46.6 52.9 74 101 A Q H >4 S+ 0 0 23 1,-0.2 3,-1.9 2,-0.2 -2,-0.2 0.883 108.2 56.3 -68.4 -41.0 31.9 46.4 49.0 75 102 A L H 3< S+ 0 0 37 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.722 101.7 59.9 -64.5 -22.3 35.7 46.1 49.3 76 103 A N T 3< S+ 0 0 113 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.448 77.9 110.1 -86.5 -1.1 35.0 43.1 51.5 77 104 A R S < S- 0 0 41 -3,-1.9 115,-0.2 1,-0.1 3,-0.0 -0.426 81.6-114.9 -67.1 152.6 33.1 41.1 48.8 78 105 A D S S+ 0 0 53 113,-0.2 2,-0.3 1,-0.1 114,-0.2 0.865 91.9 13.0 -60.1 -42.8 35.1 38.1 47.6 79 106 A G E -B 191 0A 3 112,-2.5 112,-2.5 115,-0.1 2,-0.4 -0.966 56.4-164.4-137.9 153.7 35.5 39.5 44.0 80 107 A I E -B 190 0A 5 -2,-0.3 34,-3.4 110,-0.2 35,-0.9 -0.958 13.6-171.6-142.0 125.9 35.1 42.7 42.2 81 108 A Q E -BC 189 113A 19 108,-2.4 108,-3.2 -2,-0.4 2,-0.4 -0.918 11.7-156.7-124.7 129.0 35.0 42.8 38.4 82 109 A L E -BC 188 112A 0 30,-2.9 30,-3.5 -2,-0.4 2,-0.5 -0.942 16.9-162.5-106.7 132.3 35.0 45.8 36.0 83 110 A I E -BC 187 111A 24 104,-3.1 104,-2.2 -2,-0.4 2,-0.6 -0.978 14.7-168.1-123.8 121.3 33.5 45.1 32.6 84 111 A F E -BC 186 110A 0 26,-2.5 26,-3.4 -2,-0.5 102,-0.2 -0.949 0.9-171.9-101.7 109.0 33.9 47.2 29.4 85 112 A E S S+ 0 0 53 100,-2.3 2,-0.2 -2,-0.6 -1,-0.1 0.700 75.3 8.0 -70.4 -19.8 31.4 45.9 26.8 86 113 A G + 0 0 0 98,-0.4 98,-1.1 99,-0.3 97,-0.5 -0.807 54.4 178.9-170.2 126.0 33.1 48.1 24.3 87 114 A L E -I 182 0C 0 21,-0.4 2,-0.6 18,-0.4 21,-0.2 -0.993 30.4-129.9-127.6 123.8 36.1 50.4 23.8 88 115 A D E -I 181 0C 2 93,-3.0 93,-2.6 -2,-0.4 2,-0.1 -0.906 61.7 -67.8-114.9 103.5 36.7 52.1 20.5 89 116 A T S S+ 0 0 0 -2,-0.6 2,-1.4 91,-0.2 16,-0.5 -0.624 105.5 28.7-136.6 -52.2 39.5 51.4 19.9 90 117 A Y E S+GH 104 130B 9 40,-0.6 40,-2.3 14,-0.2 2,-0.5 -0.716 70.7 166.2 -86.8 87.7 43.2 51.9 21.1 91 118 A A E -GH 103 129B 0 -2,-1.4 12,-3.7 12,-0.9 2,-0.7 -0.936 30.4-160.2-115.6 117.2 42.3 52.5 24.8 92 119 A D E -GH 102 128B 12 36,-2.5 36,-2.5 -2,-0.5 2,-0.6 -0.895 20.6-154.9 -91.1 118.3 44.8 52.5 27.8 93 120 A V E -GH 101 127B 0 8,-3.0 7,-2.7 -2,-0.7 8,-1.0 -0.852 11.8-172.6-105.3 120.4 42.7 51.9 30.8 94 121 A Y E -GH 99 126B 89 32,-3.6 32,-2.7 -2,-0.6 2,-0.4 -0.911 7.1-179.2-114.6 133.1 44.1 53.2 34.2 95 122 A L E > S-GH 98 125B 0 3,-2.8 3,-2.0 -2,-0.4 30,-0.2 -0.934 72.4 -27.8-128.8 119.5 42.5 52.6 37.6 96 123 A N T 3 S- 0 0 18 28,-2.3 29,-0.1 -2,-0.4 3,-0.1 0.881 129.4 -41.7 48.5 43.1 44.1 54.0 40.8 97 124 A G T 3 S+ 0 0 83 27,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.316 116.6 115.9 88.8 -6.1 47.6 54.0 39.3 98 125 A S E < -G 95 0B 43 -3,-2.0 -3,-2.8 19,-0.1 2,-1.0 -0.846 63.7-138.7 -97.3 124.0 47.2 50.6 37.6 99 126 A L E +G 94 0B 80 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.713 28.9 177.0 -68.5 102.8 47.3 50.1 33.8 100 127 A L E - 0 0 35 -7,-2.7 2,-0.3 -2,-1.0 -1,-0.2 0.798 57.4 -5.7 -79.3 -28.9 44.5 47.5 33.7 101 128 A L E -G 93 0B 27 -8,-1.0 -8,-3.0 -3,-0.1 2,-0.7 -0.957 41.9-147.0-169.6 136.3 44.3 47.0 30.0 102 129 A K E -G 92 0B 123 -2,-0.3 -10,-0.3 -10,-0.2 2,-0.1 -0.903 37.7-158.1-108.8 96.1 45.6 48.2 26.6 103 130 A A E +G 91 0B 3 -12,-3.7 -12,-0.9 -2,-0.7 3,-0.1 -0.434 25.0 165.0 -78.9 147.8 42.4 47.6 24.6 104 131 A D E +G 90 0B 54 1,-0.2 59,-0.5 -14,-0.2 2,-0.3 0.096 51.2 69.6-151.9 28.4 42.7 47.2 20.8 105 132 A N > - 0 0 1 -16,-0.5 3,-1.5 -18,-0.2 -18,-0.4 -0.797 53.9-158.7-156.6 108.4 39.6 45.7 19.4 106 133 A M T 3 S+ 0 0 1 57,-2.7 -19,-0.2 -2,-0.3 58,-0.1 0.755 93.3 59.1 -51.2 -30.8 36.3 47.6 19.2 107 134 A F T 3 S+ 0 0 5 56,-0.3 2,-0.4 -21,-0.1 -1,-0.2 0.209 89.4 89.6 -92.0 11.5 34.4 44.2 18.9 108 135 A V < - 0 0 13 -3,-1.5 2,-0.4 -21,-0.2 -21,-0.4 -0.926 63.8-142.0-117.9 135.8 35.6 42.7 22.2 109 136 A G - 0 0 11 -2,-0.4 2,-0.5 -23,-0.1 -24,-0.2 -0.775 20.2-147.6 -92.1 134.1 34.1 42.9 25.7 110 137 A Y E -C 84 0A 30 -26,-3.4 -26,-2.5 -2,-0.4 2,-0.5 -0.903 10.4-167.0-107.6 125.8 36.7 43.1 28.4 111 138 A T E -C 83 0A 82 -2,-0.5 -28,-0.2 -28,-0.2 -2,-0.0 -0.948 14.8-171.3-112.1 119.4 36.2 41.6 31.9 112 139 A L E -C 82 0A 21 -30,-3.5 -30,-2.9 -2,-0.5 2,-0.5 -0.930 23.2-135.6-122.2 124.2 38.8 42.8 34.5 113 140 A P E +C 81 0A 106 0, 0.0 -32,-0.2 0, 0.0 -34,-0.0 -0.641 35.7 161.6 -76.0 121.6 39.4 41.6 38.1 114 141 A V >> + 0 0 1 -34,-3.4 3,-1.3 -2,-0.5 4,-1.3 0.430 34.4 104.3-125.9 0.2 39.8 44.8 40.2 115 142 A K G >4 S+ 0 0 81 -35,-0.9 3,-0.8 1,-0.3 -34,-0.1 0.922 84.0 52.4 -49.6 -47.5 39.4 44.1 43.9 116 143 A S G 34 S+ 0 0 117 1,-0.3 -1,-0.3 -36,-0.1 -2,-0.1 0.674 113.4 44.3 -74.1 -12.6 43.1 44.3 44.7 117 144 A V G <4 S+ 0 0 35 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.580 92.2 96.3-102.5 -14.6 43.4 47.7 43.1 118 145 A L << - 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0 0 75 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.333 43.1-110.5 -69.9 158.6 -44.2 59.5 54.4 1289 478 B P H > S+ 0 0 95 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.897 120.1 54.0 -62.7 -34.0 -44.0 56.5 56.7 1290 479 B E H > S+ 0 0 147 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.929 111.7 44.1 -61.1 -46.8 -45.8 54.4 54.1 1291 480 B V H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 3,-0.2 0.929 112.4 52.1 -65.5 -47.2 -43.2 55.3 51.4 1292 481 B Y H X S+ 0 0 41 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.931 109.7 49.4 -53.6 -48.1 -40.3 54.8 53.7 1293 482 B Q H X S+ 0 0 96 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.789 109.6 51.4 -63.1 -33.3 -41.5 51.4 54.7 1294 483 B G H X S+ 0 0 39 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.833 107.7 53.1 -67.9 -38.2 -42.0 50.4 51.0 1295 484 B L H X S+ 0 0 7 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.943 111.8 46.3 -57.8 -49.2 -38.4 51.6 50.4 1296 485 B M H X S+ 0 0 43 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.878 113.7 46.5 -57.2 -50.6 -37.3 49.2 53.3 1297 486 B H H X S+ 0 0 112 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.899 112.0 50.9 -64.6 -41.8 -39.3 46.3 52.1 1298 487 B G H X S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.2 5,-0.3 0.813 102.0 62.0 -66.3 -30.8 -38.1 46.8 48.5 1299 488 B Y H X>S+ 0 0 7 -4,-1.7 4,-2.9 1,-0.2 5,-0.5 0.964 107.1 45.1 -51.8 -52.3 -34.5 46.9 49.7 1300 489 B D H X>S+ 0 0 60 -4,-1.4 4,-1.7 1,-0.2 5,-0.8 0.877 108.3 56.1 -59.6 -43.1 -35.0 43.3 50.9 1301 490 B K H <>S+ 0 0 92 -4,-1.7 5,-2.4 3,-0.2 -1,-0.2 0.873 120.0 30.3 -59.6 -41.7 -36.7 42.1 47.7 1302 491 B L H <>S+ 0 0 2 -4,-1.9 5,-2.9 3,-0.2 -2,-0.2 0.955 132.4 27.0 -82.6 -53.6 -33.8 43.2 45.6 1303 492 B F H <5S+ 0 0 3 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.685 127.8 36.4 -93.7 -23.7 -30.7 42.9 47.8 1304 493 B R T < S+ 0 0 31 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.873 112.7 51.1 -58.8 -38.3 -28.3 36.6 46.5 1309 498 B S H X S+ 0 0 72 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.879 109.2 51.3 -64.6 -35.1 -30.5 33.9 45.0 1310 499 B T H X S+ 0 0 7 -4,-2.0 4,-2.5 -5,-0.3 5,-0.3 0.911 112.0 45.7 -67.4 -41.0 -29.1 34.7 41.5 1311 500 B V H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 7,-0.3 0.901 111.1 53.5 -66.8 -38.9 -25.5 34.4 42.7 1312 501 B K H < S+ 0 0 88 -4,-2.3 4,-0.2 -5,-0.2 -2,-0.2 0.898 114.3 42.5 -65.0 -38.4 -26.3 31.2 44.6 1313 502 B E H < S+ 0 0 140 -4,-2.1 3,-0.3 -5,-0.1 -2,-0.2 0.909 129.3 23.2 -71.2 -44.3 -27.8 29.7 41.4 1314 503 B F H < S+ 0 0 26 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.497 134.8 29.0-107.6 -6.9 -25.1 30.8 38.9 1315 504 B D >< + 0 0 1 -4,-2.4 3,-2.3 -5,-0.3 -1,-0.2 -0.224 68.5 162.5-149.3 58.1 -22.0 31.4 41.0 1316 505 B S T 3 S+ 0 0 56 1,-0.3 -4,-0.1 -3,-0.3 -2,-0.1 0.601 72.1 50.6 -62.7 -24.3 -22.4 29.0 43.9 1317 506 B D T 3 S+ 0 0 106 -6,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.317 94.8 89.6 -96.6 6.5 -18.8 29.0 45.1 1318 507 B R S < S- 0 0 40 -3,-2.3 -51,-0.2 -7,-0.3 -3,-0.1 -0.864 78.1-116.3-110.2 140.2 -18.5 32.9 45.2 1319 508 B F E -p 1267 0d 47 -53,-0.6 -51,-2.3 -2,-0.4 2,-0.4 -0.399 26.9-166.4 -67.6 141.0 -19.3 35.1 48.2 1320 509 B Y E -p 1268 0d 37 -53,-0.2 2,-0.4 -2,-0.1 -51,-0.2 -0.990 5.7-173.1-124.7 141.1 -22.2 37.6 48.0 1321 510 B V E -p 1269 0d 11 -53,-1.6 -51,-3.5 -2,-0.4 -50,-0.2 -0.990 26.7-132.3-128.9 144.0 -22.8 40.4 50.5 1322 511 B H S S- 0 0 30 -2,-0.4 2,-0.3 -53,-0.2 -51,-0.1 0.801 78.8 -8.3 -68.1 -26.2 -26.0 42.5 50.2 1323 512 B S S S- 0 0 0 -53,-0.2 3,-0.3 -54,-0.1 -51,-0.2 -0.980 70.7 -95.5-162.7 163.1 -24.2 45.9 50.5 1324 513 B S B S+t 1272 0e 0 -53,-1.2 -51,-3.1 1,-0.4 -50,-0.1 -0.974 116.1 24.3-134.9 119.2 -21.0 47.8 51.3 1325 514 B P S S- 0 0 2 0, 0.0 -1,-0.4 0, 0.0 -49,-0.3 0.528 86.4-167.4 -78.6 142.4 -20.6 48.8 54.0 1326 515 B Y S S- 0 0 17 -3,-0.3 -2,-0.1 -2,-0.1 13,-0.1 0.814 75.4 -23.5 -75.7 -28.4 -22.9 46.1 55.2 1327 516 B L S S+ 0 0 72 13,-0.5 12,-0.1 11,-0.3 14,-0.1 0.477 105.7 100.8-143.5 -36.8 -23.5 47.4 58.8 1328 517 B A - 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0 0 0 22,-0.2 -12,-0.5 -184,-0.1 -13,-0.5 -0.444 61.8-146.5 -82.3 156.0 -16.3 46.4 56.2 1341 530 B S E -q 1364 0d 6 22,-2.5 24,-2.3 -2,-0.1 25,-1.4 -0.949 20.1-160.2-125.9 140.4 -16.1 50.2 56.7 1342 531 B H E -q 1366 0d 2 -2,-0.4 2,-1.4 -14,-0.3 -12,-0.4 -0.885 27.9-162.9-106.8 89.2 -16.5 53.2 54.5 1343 532 B N + 0 0 8 23,-1.5 25,-0.4 -2,-0.6 3,-0.4 -0.606 26.9 159.5 -78.3 91.0 -14.7 55.6 56.9 1344 533 B W > + 0 0 16 -2,-1.4 5,-1.8 1,-0.2 6,-0.3 0.106 46.3 104.1-100.5 21.8 -15.7 59.1 55.7 1345 534 B G T 5S+ 0 0 0 3,-0.2 6,-2.6 4,-0.2 2,-0.4 0.920 76.0 64.3 -61.3 -46.7 -14.8 60.5 59.1 1346 535 B V T 5S+ 0 0 0 -3,-0.4 2,-1.0 4,-0.2 22,-0.3 -0.689 121.1 5.8 -72.2 135.9 -11.8 61.8 57.3 1347 536 B W T > 5S+ 0 0 0 4,-0.4 3,-1.7 -2,-0.4 -2,-0.1 -0.808 140.3 36.1 84.0 -95.0 -13.1 64.2 54.6 1348 537 B Y T 3 5S+ 0 0 63 -2,-1.0 -3,-0.2 1,-0.3 -1,-0.2 0.853 124.8 41.7 -56.5 -39.4 -16.9 64.4 55.5 1349 538 B G T 3 - 0 0 58 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.390 30.0-108.6 -68.4 155.1 -7.5 64.6 61.2 1353 542 B F T > S+ 0 0 6 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.808 116.7 69.7 -53.4 -31.7 -5.5 61.8 59.4 1354 543 B E T >> S+ 0 0 83 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.728 81.0 73.2 -60.8 -21.7 -4.3 60.7 62.8 1355 544 B S H X> S+ 0 0 12 -3,-2.2 4,-3.1 1,-0.2 3,-1.1 0.801 83.0 71.0 -62.4 -23.8 -7.8 59.5 63.6 1356 545 B L H <4 S+ 0 0 0 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.743 91.5 59.2 -66.1 -22.5 -7.0 56.6 61.1 1357 546 B D H <4 S+ 0 0 14 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.769 119.1 25.9 -70.2 -29.5 -4.6 55.2 63.7 1358 547 B T H << S+ 0 0 93 -3,-1.1 2,-1.5 -4,-0.5 -2,-0.2 0.791 108.8 68.3-106.6 -34.7 -7.4 54.9 66.3 1359 548 B D S < S+ 0 0 26 -4,-3.1 -1,-0.2 -16,-0.0 -16,-0.0 -0.643 75.9 179.0 -92.6 78.3 -10.6 54.4 64.4 1360 549 B L - 0 0 27 -2,-1.5 2,-0.2 -3,-0.1 -3,-0.1 -0.603 17.1-154.6 -93.6 145.8 -9.9 51.0 62.9 1361 550 B P - 0 0 1 0, 0.0 3,-0.2 0, 0.0 91,-0.2 -0.666 26.8-126.3-106.7 167.6 -12.0 48.8 60.7 1362 551 B R S S- 0 0 10 -23,-0.9 89,-2.5 -26,-0.8 -205,-0.3 0.744 104.8 -4.0 -73.6 -22.6 -12.1 45.1 60.1 1363 552 B F S S- 0 0 0 -24,-0.5 -22,-2.5 87,-0.2 2,-0.9 -0.834 72.2-136.3-168.9 123.0 -11.6 45.9 56.4 1364 553 B M E +qr13411453d 0 88,-3.3 90,-3.3 -2,-0.3 -22,-0.2 -0.795 27.5 168.8 -90.1 106.8 -11.5 49.4 54.8 1365 554 B S E S+ 0 0 0 -24,-2.3 2,-0.3 -2,-0.9 -23,-0.2 0.655 71.4 12.4 -95.6 -14.5 -13.6 49.2 51.6 1366 555 B E E +q 1342 0d 13 -25,-1.4 -23,-1.5 90,-0.1 -1,-0.3 -0.892 63.9 139.0-153.5 137.3 -13.6 53.0 51.2 1367 556 B F + 0 0 0 -2,-0.3 89,-3.5 87,-0.2 2,-0.3 -0.889 24.2 156.9-161.4 158.9 -11.7 56.0 52.6 1368 557 B G - 0 0 0 -25,-0.4 2,-0.3 -22,-0.3 89,-0.2 -0.994 30.7-151.4-172.6 164.8 -10.4 59.0 50.8 1369 558 B F - 0 0 1 87,-0.5 2,-0.1 98,-0.3 97,-0.1 -0.970 30.1-123.1-154.0 140.0 -9.3 62.6 50.6 1370 559 B Q + 0 0 0 -2,-0.3 2,-0.3 33,-0.1 97,-0.3 -0.421 23.6 179.9 -86.4 168.0 -9.5 64.9 47.7 1371 560 B S B -U 1466 0f 0 95,-2.2 95,-1.6 -2,-0.1 97,-0.1 -0.972 33.1-112.6-156.1 147.2 -6.9 66.9 45.7 1372 561 B F - 0 0 4 -2,-0.3 93,-0.1 93,-0.2 3,-0.1 -0.545 46.4-114.4 -60.2 138.9 -6.8 69.2 42.7 1373 562 B P - 0 0 0 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.290 46.2 -74.4 -72.4 168.1 -5.0 67.5 39.9 1374 563 B E >> - 0 0 10 101,-0.1 4,-2.0 3,-0.1 3,-1.0 -0.063 50.7 -96.3 -63.7 164.5 -1.6 68.9 38.8 1375 564 B M H 3> S+ 0 0 20 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.815 119.0 59.0 -56.7 -41.3 -1.4 72.1 36.7 1376 565 B K H 3> S+ 0 0 26 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.837 111.9 44.9 -58.4 -30.0 -1.1 70.6 33.2 1377 566 B T H X> S+ 0 0 0 -3,-1.0 3,-0.8 2,-0.2 4,-0.5 0.923 112.1 49.8 -74.8 -44.8 -4.5 68.9 34.0 1378 567 B I H >X S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.2 4,-1.4 0.932 106.8 56.8 -57.3 -42.5 -6.0 72.1 35.4 1379 568 B A H 3< S+ 0 0 52 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.766 98.5 62.7 -62.5 -23.5 -4.7 73.9 32.2 1380 569 B A H << S+ 0 0 30 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.639 118.9 22.9 -76.2 -16.1 -6.8 71.4 30.1 1381 570 B F H << S+ 0 0 0 -3,-1.9 -495,-2.2 -4,-0.5 2,-0.3 0.384 123.4 45.3-126.5 -2.3 -10.1 72.6 31.7 1382 571 B A < - 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0 0 15 -2,-0.3 3,-0.8 -5,-0.1 4,-0.7 0.278 42.0 -8.4-125.9-123.4 -15.4 71.0 48.6 1404 593 B N H >> S+ 0 0 2 1,-0.3 4,-1.3 2,-0.2 3,-1.0 0.873 117.4 61.4 -64.2 -38.3 -12.4 73.1 47.8 1405 594 B S H 3> S+ 0 0 48 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.848 97.8 60.7 -54.8 -36.7 -12.4 75.0 51.1 1406 595 B L H <> S+ 0 0 2 -3,-0.8 4,-2.5 1,-0.2 -1,-0.3 0.798 96.8 57.6 -64.9 -32.8 -12.0 71.7 53.0 1407 596 B I H X S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 4,-0.7 0.883 110.6 58.2 -63.2 -38.6 -6.8 70.2 56.3 1411 600 B M H >X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 3,-1.7 0.920 99.6 57.5 -61.6 -45.8 -3.8 71.8 54.6 1412 601 B E H 3< S+ 0 0 105 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.730 98.0 63.2 -53.9 -29.0 -3.5 74.4 57.5 1413 602 B R H << S+ 0 0 54 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.806 123.9 12.0 -70.7 -25.9 -3.2 71.5 60.0 1414 603 B D H << S+ 0 0 24 -3,-1.7 177,-2.3 -4,-0.7 2,-0.3 0.534 124.6 39.2-125.3 -15.0 0.1 70.3 58.4 1415 604 B Y S < S- 0 0 12 -4,-2.6 2,-0.5 175,-0.2 -1,-0.2 -0.920 79.1-105.7-139.6 156.1 1.5 72.8 56.0 1416 605 B I - 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