==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-MAR-08 3CNT . COMPND 2 MOLECULE: FMS1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Q.HUANG,Q.HAO . 992 6 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39765.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 717 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 10.9 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 . 10 1.0 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 . 1 0.1 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 . 105 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 269 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.7 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 8 2 2 2 2 3 1 3 3 2 0 1 1 0 2 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 6 2 1 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 PARALLEL BRIDGES PER LADDER . 2 6 3 6 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 2 0 0 0 0 4 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 8 B K 0 0 99 0, 0.0 2,-0.5 0, 0.0 235,-0.1 0.000 360.0 360.0 360.0 -19.0 70.9 29.7 58.4 2 9 B K E -a 236 0A 52 233,-1.6 235,-1.0 1,-0.2 26,-0.2 -0.887 360.0-151.9-108.8 131.2 68.6 28.7 55.5 3 10 B K E S+ 0 0 72 24,-2.3 234,-1.9 23,-0.5 235,-1.8 0.993 82.9 9.1 -59.0 -66.3 66.3 31.2 53.6 4 11 B V E -ab 238 28A 0 23,-0.5 25,-1.9 22,-0.4 2,-0.6 -0.961 62.3-158.7-122.9 135.9 63.6 28.8 52.5 5 12 B I E -ab 239 29A 2 233,-2.2 2,-0.5 -2,-0.4 235,-0.5 -0.935 12.1-160.1-114.3 108.1 63.1 25.1 53.6 6 13 B I E -ab 240 30A 2 23,-3.4 25,-2.7 -2,-0.6 2,-0.8 -0.781 4.8-152.2 -91.2 122.5 61.0 23.2 51.1 7 14 B I E +ab 241 31A 3 233,-2.8 235,-3.0 -2,-0.5 236,-0.3 -0.836 66.2 32.3 -98.2 107.9 59.4 20.0 52.5 8 15 B G - 0 0 7 23,-1.0 24,-0.2 -2,-0.8 23,-0.1 -0.004 62.3-138.1 119.8 133.7 58.9 17.4 49.8 9 16 B A + 0 0 0 27,-0.2 29,-1.1 4,-0.1 23,-0.1 0.129 64.9 119.6-107.2 21.0 60.9 16.7 46.6 10 17 B G S > S- 0 0 13 27,-0.2 4,-2.4 28,-0.1 28,-0.2 0.198 90.6 -76.8 -68.0-164.8 57.8 16.3 44.5 11 18 B I H > S+ 0 0 14 27,-0.4 4,-1.5 2,-0.2 5,-0.2 0.865 134.8 51.7 -64.8 -33.5 56.9 18.4 41.4 12 19 B A H > S+ 0 0 3 2,-0.2 4,-3.1 230,-0.2 3,-0.5 0.988 112.8 40.0 -65.4 -63.7 55.8 21.1 43.9 13 20 B G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.870 115.0 55.1 -55.6 -38.9 58.9 21.2 46.0 14 21 B L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.834 115.2 35.8 -66.5 -34.8 61.1 20.9 42.9 15 22 B K H X S+ 0 0 13 -4,-1.5 4,-4.0 -3,-0.5 5,-0.3 0.850 114.2 58.2 -84.1 -36.7 59.6 23.8 41.1 16 23 B A H X S+ 0 0 0 -4,-3.1 4,-1.6 -5,-0.2 -2,-0.2 0.868 115.2 37.5 -58.3 -37.2 59.2 25.7 44.4 17 24 B A H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 5,-0.3 0.934 114.8 53.8 -78.5 -49.6 63.0 25.3 44.8 18 25 B S H X S+ 0 0 13 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.934 111.6 46.8 -46.8 -53.3 63.7 25.8 41.1 19 26 B T H X S+ 0 0 1 -4,-4.0 4,-1.1 2,-0.2 -1,-0.2 0.911 108.7 53.3 -58.1 -48.4 61.8 29.1 41.2 20 27 B L H ><>S+ 0 0 0 -4,-1.6 5,-1.8 -5,-0.3 3,-1.4 0.968 113.5 44.0 -51.3 -55.7 63.5 30.3 44.4 21 28 B H H ><5S+ 0 0 69 -4,-2.7 3,-2.4 1,-0.3 -1,-0.2 0.884 107.6 57.2 -57.3 -42.3 66.9 29.8 42.8 22 29 B Q H 3<5S+ 0 0 147 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.719 105.3 55.7 -63.6 -15.3 65.8 31.3 39.5 23 30 B N T <<5S- 0 0 36 -3,-1.4 -1,-0.3 -4,-1.1 -2,-0.2 0.291 123.4-106.2 -97.8 8.6 65.0 34.4 41.7 24 31 B G T < 5 + 0 0 53 -3,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.603 67.0 152.1 79.1 13.0 68.5 34.5 43.1 25 32 B I < - 0 0 17 -5,-1.8 -1,-0.3 -6,-0.2 2,-0.1 -0.608 24.9-162.7 -81.1 135.8 67.6 33.2 46.5 26 33 B Q + 0 0 111 -2,-0.3 -23,-0.5 1,-0.2 -22,-0.4 -0.413 54.0 41.8-107.1-177.8 70.4 31.4 48.4 27 34 B D S S+ 0 0 78 1,-0.2 -24,-2.3 -25,-0.2 -23,-0.5 0.915 73.2 159.8 41.8 72.7 70.8 29.0 51.3 28 35 B C E -b 4 0A 1 -26,-0.2 2,-0.4 -25,-0.2 -23,-0.2 -0.941 28.5-153.5-127.9 147.9 67.9 26.6 50.7 29 36 B L E -b 5 0A 14 -25,-1.9 -23,-3.4 -2,-0.4 2,-0.5 -0.927 5.5-166.8-119.3 141.3 66.9 23.1 51.8 30 37 B V E -bc 6 207A 0 176,-2.5 178,-3.4 -2,-0.4 2,-0.8 -0.954 15.9-162.9-125.3 105.4 64.7 20.5 50.0 31 38 B L E -b 7 0A 2 -25,-2.7 -23,-1.0 -2,-0.5 2,-0.3 -0.779 9.1-177.6-100.6 102.2 63.9 17.8 52.5 32 39 B E - 0 0 13 -2,-0.8 179,-4.9 176,-0.5 178,-0.2 -0.727 23.7-153.2 -97.9 142.5 62.6 14.5 51.0 33 40 B A S S+ 0 0 24 -2,-0.3 179,-0.2 177,-0.3 -1,-0.1 0.871 79.3 64.1 -77.3 -38.5 61.5 11.5 53.0 34 41 B R S S- 0 0 25 2,-0.3 176,-2.2 177,-0.1 177,-0.3 -0.211 93.1-111.4 -79.6 173.6 62.3 9.0 50.1 35 42 B D S S+ 0 0 121 174,-0.2 2,-0.3 175,-0.1 174,-0.1 0.275 99.9 45.1 -87.6 8.6 65.6 8.2 48.6 36 43 B R S S- 0 0 52 1,-0.1 -2,-0.3 0, 0.0 3,-0.2 -0.959 74.7-128.2-147.2 165.3 64.5 9.9 45.4 37 44 B V S S+ 0 0 34 -2,-0.3 2,-1.3 1,-0.1 -27,-0.2 0.169 75.7 77.4 -90.6-146.8 62.7 13.0 44.2 38 45 B G > - 0 0 2 -29,-1.1 3,-1.5 -28,-0.2 -27,-0.4 0.035 66.7-162.8 71.4 -33.0 59.7 13.0 41.8 39 46 B G T 3 S+ 0 0 9 -2,-1.3 393,-0.0 1,-0.3 392,-0.0 -0.329 78.8 4.2 55.2-123.1 57.2 12.0 44.5 40 47 B R T 3 S+ 0 0 58 1,-0.1 16,-1.4 -2,-0.1 2,-0.6 0.208 121.9 84.3 -78.3 17.6 54.1 10.7 42.7 41 48 B L < + 0 0 13 -3,-1.5 2,-0.4 14,-0.2 -1,-0.1 -0.940 60.9 152.5-118.8 100.2 56.1 11.2 39.5 42 49 B Q - 0 0 58 -2,-0.6 12,-0.9 14,-0.2 13,-0.9 -0.994 29.2-161.5-137.0 127.8 58.1 8.0 39.2 43 50 B T E -H 53 0B 26 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.839 15.7-171.7-104.2 145.4 59.4 6.3 36.1 44 51 B V E -H 52 0B 32 8,-1.6 8,-2.0 -2,-0.4 2,-0.3 -0.965 17.2-128.8-137.2 154.5 60.3 2.7 36.4 45 52 B T E +H 51 0B 88 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.795 31.3 161.0-105.0 146.5 62.0 0.2 34.1 46 53 B G > + 0 0 21 4,-2.0 3,-1.5 1,-0.5 -1,-0.1 -0.283 48.5 2.1-131.6-140.6 60.7 -3.2 33.2 47 54 B Y G > S+ 0 0 49 1,-0.3 3,-3.1 2,-0.2 -1,-0.5 -0.056 128.8 0.6 -50.3 152.0 61.3 -5.8 30.4 48 55 B Q G 3 S- 0 0 130 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.680 128.2 -67.6 34.8 29.0 63.9 -5.0 27.7 49 56 B G G < S+ 0 0 51 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.605 84.8 161.4 76.4 13.1 64.6 -1.7 29.5 50 57 B R < - 0 0 27 -3,-3.1 -4,-2.0 -5,-0.1 2,-0.4 -0.294 28.9-141.9 -65.4 150.3 61.3 -0.0 28.8 51 58 B K E -H 45 0B 107 -6,-0.2 2,-0.3 -8,-0.0 -6,-0.2 -0.925 18.9-178.1-116.5 140.9 60.3 2.9 31.0 52 59 B Y E -H 44 0B 9 -8,-2.0 2,-1.8 -2,-0.4 -8,-1.6 -1.000 33.4-122.0-138.9 138.2 56.7 3.6 32.2 53 60 B D E -H 43 0B 4 -2,-0.3 -10,-0.2 -10,-0.2 135,-0.0 -0.574 29.3-179.9 -80.0 87.7 55.3 6.4 34.3 54 61 B I S S+ 0 0 7 -2,-1.8 -1,-0.2 -12,-0.9 -11,-0.1 0.613 78.1 32.3 -63.4 -10.3 53.8 4.3 37.1 55 62 B G S S+ 0 0 14 -13,-0.9 -14,-0.2 1,-0.6 -2,-0.1 0.260 126.7 0.6-111.8-121.4 52.7 7.6 38.6 56 63 B A + 0 0 27 -16,-1.4 -1,-0.6 1,-0.1 135,-0.3 -0.254 59.0 160.5 -64.8 160.9 51.6 10.6 36.5 57 64 B S + 0 0 3 1,-0.2 131,-2.4 -3,-0.1 2,-0.3 0.394 46.1 73.1-155.9 -20.1 51.8 10.1 32.7 58 65 B W E -I 187 0C 28 129,-0.2 2,-0.8 25,-0.1 417,-0.3 -0.826 61.1-140.3-116.5 149.9 49.6 12.8 31.1 59 66 B H E -I 186 0C 0 127,-2.2 127,-2.4 -2,-0.3 3,-0.4 -0.914 35.2-160.5 -99.6 108.3 49.6 16.5 30.4 60 67 B H + 0 0 45 -2,-0.8 8,-0.2 1,-0.2 125,-0.1 -0.645 63.9 16.9 -93.2 150.6 46.0 17.5 31.1 61 68 B D >> - 0 0 12 122,-0.5 4,-2.9 -2,-0.3 3,-2.3 0.934 68.3-174.6 57.1 51.1 44.4 20.6 29.8 62 69 B T T 34 S+ 0 0 0 122,-1.7 -1,-0.2 -3,-0.4 121,-0.2 0.320 76.1 64.9 -62.6 12.1 47.0 21.2 27.2 63 70 B L T 34 S+ 0 0 20 119,-1.2 -1,-0.3 121,-0.1 120,-0.1 0.657 123.0 12.2-104.1 -24.7 45.3 24.5 26.4 64 71 B T T <4 S+ 0 0 53 -3,-2.3 -2,-0.2 118,-0.5 -3,-0.1 0.465 89.6 123.5-128.2 -8.9 46.0 26.1 29.7 65 72 B N X - 0 0 0 -4,-2.9 4,-1.9 117,-0.2 5,-0.2 -0.403 44.9-162.1 -59.8 101.5 48.5 23.7 31.3 66 73 B P H > S+ 0 0 31 0, 0.0 4,-2.1 0, 0.0 3,-0.2 0.931 88.3 49.3 -51.7 -51.5 51.4 26.1 32.1 67 74 B L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.919 107.5 54.7 -55.2 -47.4 53.9 23.2 32.5 68 75 B F H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 106.2 52.1 -55.2 -41.9 52.9 21.7 29.2 69 76 B L H X S+ 0 0 87 -4,-1.9 4,-2.4 1,-0.2 3,-0.3 0.963 107.3 52.0 -57.9 -52.3 53.5 25.0 27.4 70 77 B E H X S+ 0 0 56 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.878 110.9 49.1 -49.8 -43.0 57.0 25.1 28.9 71 78 B E H X S+ 0 0 6 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.856 110.1 48.4 -67.9 -39.3 57.6 21.5 27.6 72 79 B A H X S+ 0 0 3 -4,-2.2 4,-2.9 -3,-0.3 5,-0.2 0.800 104.9 63.3 -71.4 -29.6 56.4 22.3 24.1 73 80 B Q H X S+ 0 0 117 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.979 105.3 43.3 -54.9 -60.5 58.6 25.3 24.2 74 81 B L H X S+ 0 0 31 -4,-1.7 4,-3.0 1,-0.2 6,-0.3 0.903 112.6 54.5 -53.4 -45.2 61.7 23.2 24.5 75 82 B S H X S+ 0 0 14 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.916 109.9 44.4 -58.1 -45.2 60.3 20.9 21.9 76 83 B L H < S+ 0 0 121 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.909 119.9 47.0 -63.7 -40.5 59.8 23.7 19.3 77 84 B N H < S+ 0 0 125 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.997 129.0 16.9 -59.8 -73.9 63.3 24.9 20.4 78 85 B D H < S- 0 0 89 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.057 92.6-128.5 -94.7 20.8 65.4 21.7 20.3 79 86 B G < + 0 0 66 -4,-1.1 -4,-0.2 -5,-0.3 -3,-0.1 0.547 58.2 142.7 44.2 14.6 63.1 19.4 18.2 80 87 B R - 0 0 33 -6,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.321 56.4-112.7 -78.1 167.7 63.2 16.6 20.8 81 88 B T + 0 0 110 1,-0.1 3,-0.1 -2,-0.0 -1,-0.1 -0.881 44.5 157.7-104.7 105.4 60.1 14.4 21.5 82 89 B R - 0 0 59 -2,-0.7 107,-1.2 1,-0.2 2,-0.3 0.399 66.4 -1.3-105.6 0.7 58.9 15.1 25.1 83 90 B F E -J 188 0C 26 105,-0.3 2,-0.4 106,-0.1 105,-0.2 -0.970 54.8-138.2-177.7 164.1 55.3 13.9 24.6 84 91 B V E -J 187 0C 39 103,-1.9 103,-2.1 -2,-0.3 2,-0.8 -0.983 24.4-125.4-141.1 126.2 52.7 12.5 22.2 85 92 B F + 0 0 45 -2,-0.4 101,-0.2 101,-0.2 -2,-0.0 -0.596 36.2 170.4 -70.4 109.2 49.0 13.4 21.9 86 93 B D + 0 0 6 -2,-0.8 215,-0.3 99,-0.4 -1,-0.2 0.320 19.9 138.3-107.0 9.4 47.3 10.1 22.3 87 94 B D + 0 0 29 98,-0.5 2,-0.3 213,-0.1 524,-0.1 -0.374 33.8 168.3 -54.5 123.1 43.6 11.0 22.7 88 95 B D - 0 0 11 -2,-0.1 2,-0.6 523,-0.0 212,-0.1 -0.892 46.4 -79.0-137.1 165.1 42.0 8.4 20.5 89 96 B N - 0 0 34 -2,-0.3 213,-0.3 210,-0.2 12,-0.1 -0.573 58.7-119.6 -69.0 112.0 38.5 7.1 19.9 90 97 B F - 0 0 54 -2,-0.6 2,-0.6 211,-0.1 213,-0.2 -0.231 17.3-145.3 -57.4 137.6 37.9 4.8 22.9 91 98 B I E -k 303 0D 2 211,-1.6 213,-2.2 10,-0.1 2,-0.5 -0.935 14.4-157.7-107.6 114.4 37.2 1.2 22.2 92 99 B Y E -k 304 0D 13 -2,-0.6 8,-2.0 211,-0.2 9,-0.7 -0.826 7.7-167.4 -98.5 129.6 34.7 -0.2 24.7 93 100 B I E -kL 305 99D 0 211,-2.6 213,-3.8 -2,-0.5 2,-0.3 -0.963 8.6-168.8-123.9 123.5 34.6 -4.0 25.3 94 101 B D E > -kL 306 98D 0 4,-3.6 4,-1.7 -2,-0.5 213,-0.1 -0.808 27.8-127.3-102.9 147.4 32.0 -6.0 27.1 95 102 B E T 4 S+ 0 0 80 211,-0.7 -1,-0.1 -2,-0.3 4,-0.1 0.973 104.8 30.6 -58.0 -59.7 32.8 -9.6 27.9 96 103 B E T 4 S+ 0 0 142 1,-0.1 -1,-0.1 213,-0.1 212,-0.0 0.973 131.3 32.6 -64.2 -59.0 29.8 -11.2 26.4 97 104 B R T 4 S- 0 0 98 1,-0.2 2,-0.4 3,-0.0 -2,-0.2 0.827 90.4-150.9 -74.8 -34.6 29.1 -8.8 23.5 98 105 B G E < +L 94 0D 5 -4,-1.7 -4,-3.6 2,-0.0 -1,-0.2 -0.843 62.4 19.2 100.7-136.2 32.6 -7.6 22.6 99 106 B R E +L 93 0D 71 -2,-0.4 -6,-0.2 -6,-0.3 -8,-0.0 -0.470 52.6 166.0 -73.8 145.8 33.0 -4.2 21.2 100 107 B V > + 0 0 1 -8,-2.0 3,-0.6 -2,-0.1 8,-0.5 0.159 38.8 116.5-140.6 10.1 30.2 -1.7 21.8 101 108 B D T 3 S+ 0 0 14 -9,-0.7 -10,-0.1 1,-0.2 5,-0.1 -0.589 83.5 3.3 -86.2 146.6 32.0 1.6 20.8 102 109 B H T 3 S+ 0 0 47 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.850 88.5 173.9 47.1 43.0 30.8 3.6 17.8 103 110 B D <> - 0 0 38 -3,-0.6 4,-2.2 1,-0.1 -1,-0.2 -0.712 35.9-139.8 -87.1 121.1 27.9 1.2 17.4 104 111 B K T 4 S+ 0 0 43 -2,-0.5 -1,-0.1 1,-0.2 486,-0.1 0.770 101.9 24.6 -48.6 -30.2 25.3 2.2 14.7 105 112 B E T 4 S+ 0 0 72 484,-0.0 -1,-0.2 -3,-0.0 45,-0.1 0.751 123.4 46.9-109.2 -31.7 22.5 1.0 17.0 106 113 B L T 4 S- 0 0 3 43,-0.1 -2,-0.2 -5,-0.1 41,-0.1 0.869 71.7-177.1 -77.5 -37.6 23.8 1.2 20.6 107 114 B L >X + 0 0 22 -4,-2.2 4,-1.4 1,-0.1 3,-0.8 0.788 12.9 165.7 43.7 40.1 25.2 4.7 20.1 108 115 B L H 3> + 0 0 0 -8,-0.5 4,-2.2 1,-0.2 3,-0.4 0.895 66.4 57.8 -52.3 -47.3 26.5 4.5 23.6 109 116 B E H 3> S+ 0 0 52 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.867 105.0 52.3 -52.3 -40.4 28.8 7.5 23.2 110 117 B I H <> S+ 0 0 27 -3,-0.8 4,-1.1 1,-0.2 -1,-0.2 0.888 113.3 41.3 -63.7 -42.8 25.9 9.8 22.3 111 118 B V H X S+ 0 0 0 -4,-1.4 4,-2.1 -3,-0.4 -1,-0.2 0.721 108.2 60.9 -78.3 -23.6 23.7 8.9 25.3 112 119 B D H X S+ 0 0 15 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.859 104.9 51.5 -68.9 -31.5 26.8 9.0 27.5 113 120 B N H X S+ 0 0 94 -4,-1.4 4,-2.3 -5,-0.3 -2,-0.2 0.872 107.0 49.4 -70.8 -38.3 26.9 12.6 26.4 114 121 B E H X S+ 0 0 0 -4,-1.1 4,-3.2 1,-0.2 -2,-0.2 0.905 107.3 58.6 -64.7 -39.4 23.3 13.3 27.3 115 122 B M H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.912 105.5 48.6 -53.6 -48.1 24.2 11.7 30.6 116 123 B S H >X S+ 0 0 32 -4,-1.6 4,-2.9 2,-0.2 3,-0.5 0.985 112.9 45.5 -58.3 -59.6 26.8 14.4 31.1 117 124 B K H 3X S+ 0 0 42 -4,-2.3 4,-2.3 1,-0.3 -1,-0.2 0.867 110.4 56.7 -53.1 -36.0 24.5 17.2 30.2 118 125 B F H 3X S+ 0 0 5 -4,-3.2 4,-2.5 2,-0.2 -1,-0.3 0.917 109.6 44.1 -61.7 -42.9 22.0 15.6 32.5 119 126 B A H -R 173 0E 6 43,-0.2 4,-2.6 44,-0.1 43,-0.2 -0.693 360.0-109.9-103.7 158.3 26.9 9.2 44.2 131 141 B F H > S+ 0 0 0 41,-2.0 4,-2.2 1,-0.3 39,-0.2 0.846 125.0 52.9 -53.3 -32.5 27.9 9.0 40.6 132 142 B F H > S+ 0 0 34 37,-2.5 4,-2.6 40,-0.3 -1,-0.3 0.946 105.1 51.3 -67.8 -49.2 26.0 5.7 40.8 133 143 B Q H > S+ 0 0 84 36,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.916 111.3 50.8 -52.7 -44.4 22.9 7.4 42.2 134 144 B L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.924 107.3 49.7 -61.8 -48.9 23.1 9.9 39.3 135 145 B V H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.938 112.8 50.0 -58.6 -41.5 23.3 7.3 36.6 136 146 B M H X S+ 0 0 13 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.912 109.3 50.9 -62.8 -41.6 20.3 5.6 38.1 137 147 B K H X S+ 0 0 71 -4,-2.6 4,-3.2 -5,-0.2 5,-0.2 0.982 112.3 46.2 -58.2 -55.5 18.4 8.9 38.2 138 148 B Y H X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.2 5,-0.3 0.939 112.0 51.2 -50.8 -53.8 19.1 9.5 34.6 139 149 B L H X S+ 0 0 0 -4,-2.9 4,-1.4 -5,-0.2 -1,-0.2 0.892 114.3 42.9 -53.5 -44.4 18.2 6.0 33.6 140 150 B L H < S+ 0 0 25 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.941 116.8 47.8 -68.3 -45.6 14.9 6.1 35.4 141 151 B Q H < S+ 0 0 103 -4,-3.2 3,-0.3 -5,-0.3 -2,-0.2 0.873 124.9 28.0 -63.6 -40.2 14.1 9.6 34.1 142 152 B R H >< S+ 0 0 4 -4,-3.3 3,-4.3 -5,-0.2 4,-0.2 0.458 80.4 113.6-104.1 -2.0 15.0 9.0 30.5 143 153 B R G >< S+ 0 0 64 -4,-1.4 3,-1.6 -5,-0.3 -1,-0.2 0.766 71.0 69.2 -40.4 -31.2 14.2 5.3 30.2 144 154 B Q G 3 S+ 0 0 68 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.708 106.4 37.3 -63.8 -19.6 11.4 6.3 27.9 145 155 B F G < S+ 0 0 20 -3,-4.3 2,-0.4 2,-0.1 -1,-0.3 0.103 104.1 86.7-120.1 21.7 14.0 7.3 25.2 146 156 B L S < S- 0 0 8 -3,-1.6 2,-0.0 -4,-0.2 3,-0.0 -0.963 71.0-130.6-123.5 139.8 16.5 4.6 25.8 147 157 B T > - 0 0 65 -2,-0.4 4,-2.3 -41,-0.1 5,-0.2 -0.286 32.6-106.1 -77.0 170.9 16.6 1.1 24.3 148 158 B N H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.941 122.0 48.1 -64.4 -46.0 17.0 -1.9 26.5 149 159 B D H > S+ 0 0 60 2,-0.2 4,-2.6 1,-0.2 5,-0.4 0.874 109.7 51.5 -63.9 -38.3 20.6 -2.3 25.3 150 160 B Q H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.965 111.7 47.6 -62.1 -49.3 21.4 1.3 25.9 151 161 B I H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.893 114.8 48.3 -56.3 -41.7 20.0 1.1 29.4 152 162 B R H < S+ 0 0 16 -4,-2.5 4,-0.4 -5,-0.2 -2,-0.2 0.980 124.4 23.5 -63.8 -60.7 22.0 -2.1 30.0 153 163 B Y H >X S+ 0 0 7 -4,-2.6 4,-1.8 2,-0.1 3,-1.3 0.873 105.0 74.7 -77.7 -42.7 25.4 -1.1 28.8 154 164 B L H >X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.4 3,-1.0 0.881 95.3 51.9 -39.6 -61.6 25.5 2.7 29.0 155 165 B P H 3> S+ 0 0 0 0, 0.0 4,-0.6 0, 0.0 -1,-0.3 0.827 111.2 48.8 -47.5 -37.0 25.9 2.8 32.8 156 166 B Q H <4 S+ 0 0 18 -3,-1.3 151,-0.3 -4,-0.4 -2,-0.2 0.819 113.4 46.9 -73.2 -32.4 28.9 0.4 32.6 157 167 B L H X< S+ 0 0 0 -4,-1.8 3,-2.1 -3,-1.0 4,-0.2 0.943 106.1 55.8 -73.2 -50.1 30.5 2.5 29.8 158 168 B C H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.674 90.3 77.9 -58.4 -17.4 30.1 5.8 31.5 159 169 B R G >< + 0 0 13 -4,-0.6 3,-2.8 -5,-0.3 4,-0.3 0.459 60.7 95.2 -73.5 1.2 31.9 4.4 34.5 160 170 B Y G X S+ 0 0 36 -3,-2.1 3,-2.2 1,-0.3 -1,-0.3 0.827 72.1 75.1 -58.6 -23.1 35.2 4.9 32.6 161 171 B L G X> S+ 0 0 4 -3,-1.5 3,-1.9 1,-0.3 4,-1.0 0.680 74.5 76.0 -59.6 -20.7 35.0 8.0 34.7 162 172 B E H <>>S+ 0 0 0 -3,-2.8 4,-1.9 1,-0.3 5,-0.9 0.821 89.4 58.2 -61.6 -29.2 36.0 5.9 37.7 163 173 B L H <45S+ 0 0 6 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.229 100.1 56.1 -86.8 15.5 39.5 6.0 36.2 164 174 B W H <45S+ 0 0 80 -3,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.592 121.5 27.2-110.4 -27.3 39.6 9.8 36.4 165 175 B H H <5S- 0 0 7 -4,-1.0 -2,-0.2 -3,-0.2 271,-0.2 0.534 98.0-127.0-112.4 -12.3 38.8 9.8 40.1 166 176 B G T <5S+ 0 0 0 -4,-1.9 198,-1.8 1,-0.2 117,-1.5 0.739 74.7 108.2 69.8 21.9 40.2 6.5 41.2 167 177 B L B > - 0 0 29 196,-0.5 3,-1.3 -2,-0.3 4,-0.9 -0.209 39.9-106.9 -66.1 161.3 34.0 3.3 42.2 169 179 B W T 34 S+ 0 0 13 1,-0.2 -37,-2.5 2,-0.2 -36,-0.3 0.374 118.5 56.0 -76.4 6.6 30.8 4.9 41.1 170 180 B K T 34 S+ 0 0 115 -39,-0.2 -1,-0.2 -38,-0.1 -2,-0.0 0.435 113.2 38.4-112.3 -3.9 29.2 4.1 44.5 171 181 B L T <4 S+ 0 0 89 -3,-1.3 2,-0.3 193,-0.1 -2,-0.2 0.413 97.8 91.8-122.0 -4.8 31.9 6.0 46.5 172 182 B L S < S- 0 0 0 -4,-0.9 -41,-2.0 268,-0.2 2,-0.3 -0.741 80.1-114.6 -94.9 140.4 32.5 8.9 44.1 173 183 B S B >> -R 130 0E 10 266,-3.4 3,-1.2 -2,-0.3 4,-0.7 -0.586 14.2-146.5 -77.2 129.5 30.6 12.2 44.5 174 184 B A H >> S+ 0 0 2 -45,-2.0 3,-1.2 -2,-0.3 4,-0.7 0.905 96.1 62.7 -60.1 -44.8 28.2 13.0 41.6 175 185 B K H 34 S+ 0 0 68 -46,-0.4 -1,-0.3 1,-0.3 -45,-0.1 0.642 114.4 35.3 -57.9 -13.9 28.7 16.7 41.9 176 186 B D H X4 S+ 0 0 50 -3,-1.2 3,-0.6 263,-0.1 -1,-0.3 0.430 94.9 88.1-119.9 -2.2 32.4 16.1 41.1 177 187 B T H << S+ 0 0 0 -3,-1.2 2,-1.1 -4,-0.7 -2,-0.1 0.962 87.0 47.1 -60.0 -58.1 32.1 13.2 38.6 178 188 B Y T 3< S+ 0 0 47 -4,-0.7 -1,-0.2 -62,-0.1 -4,-0.0 -0.357 70.6 155.5 -88.3 55.6 31.7 15.2 35.4 179 189 B F < - 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0 0 2 46,-0.1 5,-0.2 -5,-0.1 -2,-0.2 0.831 67.3-176.3 -93.9 -37.2 42.7 12.2 11.5 608 114 A L >X + 0 0 26 -4,-1.9 4,-1.4 1,-0.1 3,-0.5 0.829 19.1 164.5 41.2 38.0 40.8 12.1 14.8 609 115 A L H >> + 0 0 0 -8,-0.4 4,-1.8 1,-0.2 3,-0.6 0.904 65.1 53.2 -50.2 -52.1 38.9 15.1 13.4 610 116 A E H 3> S+ 0 0 52 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.866 105.6 55.9 -56.2 -36.5 36.1 14.9 15.9 611 117 A I H <> S+ 0 0 34 -3,-0.5 4,-1.1 1,-0.2 -1,-0.2 0.865 109.2 44.7 -65.2 -37.0 38.6 15.0 18.8 612 118 A V H X S+ 0 0 1 -4,-2.2 4,-1.7 1,-0.2 3,-1.1 0.937 110.7 55.9 -56.1 -48.0 36.1 29.0 21.8 621 127 A E H 3< S+ 0 0 93 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.900 107.7 47.8 -53.0 -44.8 34.7 28.4 25.2 622 128 A L H 3< S+ 0 0 52 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.696 107.1 59.5 -70.7 -17.5 37.8 29.7 26.8 623 129 A E H << S- 0 0 38 -3,-1.1 -1,-0.2 -4,-1.0 -2,-0.2 0.858 127.8 -1.0 -78.0 -35.1 37.8 32.6 24.5 624 130 A F S < S+ 0 0 24 -4,-1.7 -3,-0.1 -3,-0.3 6,-0.1 0.521 86.0 105.1-116.3-100.9 34.4 33.8 25.7 625 131 A H S S+ 0 0 71 1,-0.1 -1,-0.0 54,-0.1 54,-0.0 0.630 105.8 10.0 7.6 93.7 32.2 32.2 28.4 626 132 A Q S S+ 0 0 74 1,-0.2 2,-0.2 -3,-0.0 -1,-0.1 0.961 98.4 129.1 80.8 63.8 32.7 34.6 31.3 627 133 A H - 0 0 106 3,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.765 39.7-162.0-155.6 103.1 34.5 37.4 29.5 628 134 A L S S+ 0 0 182 -2,-0.2 2,-0.7 1,-0.1 3,-0.1 -0.703 80.4 15.0 -86.2 134.2 33.6 41.1 29.7 629 135 A G S S+ 0 0 71 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 -0.552 79.2 137.4 105.4 -66.4 35.1 43.2 27.0 630 136 A V - 0 0 51 -2,-0.7 -1,-0.3 -6,-0.1 -3,-0.1 0.210 50.1-139.4 -20.0 99.0 36.2 40.5 24.6 631 137 A S - 0 0 102 -3,-0.1 48,-0.0 1,-0.1 -1,-0.0 0.047 17.0-114.6 -58.4 176.8 35.1 41.9 21.2 632 138 A D + 0 0 24 46,-0.1 2,-0.1 47,-0.0 -1,-0.1 0.701 32.6 174.1 -87.0-113.5 33.5 39.5 18.7 633 139 A C - 0 0 56 4,-0.0 45,-2.0 45,-0.0 46,-0.4 -0.009 45.6 -67.2 109.6 146.0 34.9 38.5 15.2 634 140 A S B > -L 677 0L 23 43,-0.2 4,-2.2 44,-0.1 43,-0.2 -0.103 37.7-116.6 -61.7 159.2 33.5 35.9 12.8 635 141 A F H > S+ 0 0 0 41,-2.2 4,-2.6 38,-0.4 5,-0.2 0.883 118.6 57.1 -61.7 -39.6 33.4 32.1 13.5 636 142 A F H > S+ 0 0 45 37,-2.7 4,-1.3 40,-0.3 -1,-0.2 0.932 104.9 49.8 -57.3 -48.4 35.8 31.8 10.5 637 143 A Q H >> S+ 0 0 35 36,-0.3 4,-2.5 1,-0.2 3,-0.9 0.958 110.5 50.8 -56.0 -50.5 38.3 34.1 12.2 638 144 A L H 3X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.3 -2,-0.2 0.893 107.3 52.0 -54.6 -46.2 38.0 32.0 15.4 639 145 A V H 3X S+ 0 0 1 -4,-2.6 4,-1.5 1,-0.2 -1,-0.3 0.762 112.0 49.2 -63.2 -24.2 38.6 28.7 13.6 640 146 A M H < S+ 0 0 36 -4,-1.7 3,-0.9 2,-0.2 4,-0.2 0.919 112.4 48.7 -82.8 -48.2 47.3 29.3 14.5 645 151 A Q H 3< S+ 0 0 99 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.507 124.5 33.2 -70.4 -4.0 47.6 29.2 18.3 646 152 A R T >< S+ 0 0 7 -4,-1.2 3,-2.2 -5,-0.2 -1,-0.2 0.202 74.3 118.4-137.8 15.7 47.8 25.3 18.1 647 153 A R G X + 0 0 56 -3,-0.9 3,-1.4 1,-0.3 -2,-0.1 0.786 68.6 71.6 -54.7 -28.6 49.6 24.5 14.9 648 154 A Q G 3 S+ 0 0 71 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.565 105.7 37.1 -66.3 -7.1 52.3 22.8 16.9 649 155 A F G < S+ 0 0 25 -3,-2.2 2,-0.4 2,-0.1 -1,-0.3 0.117 99.1 87.4-134.5 23.3 50.0 20.0 17.7 650 156 A L S < S- 0 0 7 -3,-1.4 -4,-0.0 -7,-0.1 0, 0.0 -0.987 70.3-129.9-125.8 132.7 48.0 19.5 14.5 651 157 A T > - 0 0 66 -2,-0.4 4,-2.2 -44,-0.1 5,-0.2 -0.223 34.1-101.9 -71.1 169.8 49.1 17.3 11.7 652 158 A N H > S+ 0 0 86 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.898 124.6 49.2 -61.8 -38.1 49.1 18.8 8.2 653 159 A D H > S+ 0 0 55 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.784 107.8 53.6 -72.3 -27.6 45.8 16.9 7.4 654 160 A Q H > S+ 0 0 11 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.983 106.9 50.4 -69.8 -53.8 44.2 18.2 10.6 655 161 A I H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.756 119.1 40.4 -54.3 -26.0 44.9 21.8 9.8 656 162 A R H < S+ 0 0 15 -4,-1.0 4,-0.4 -5,-0.2 -2,-0.2 0.942 124.3 31.0 -87.7 -58.5 43.4 21.3 6.4 657 163 A Y H X S+ 0 0 4 -4,-2.6 4,-1.4 1,-0.1 -2,-0.2 0.642 107.7 70.5 -77.3 -16.3 40.4 19.1 6.9 658 164 A L H >X S+ 0 0 1 -4,-3.2 4,-2.7 -5,-0.3 3,-1.2 0.998 92.7 51.3 -66.5 -63.8 39.5 20.3 10.4 659 165 A P H 3> S+ 0 0 0 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.719 109.6 54.6 -45.9 -25.2 38.2 23.8 9.7 660 166 A Q H 34 S+ 0 0 17 -4,-0.4 3,-0.4 2,-0.2 151,-0.3 0.895 111.0 41.8 -77.5 -40.7 35.9 22.3 7.0 661 167 A L H X< S+ 0 0 0 -4,-1.4 3,-2.1 -3,-1.2 4,-0.2 0.886 106.2 65.7 -69.7 -37.8 34.3 19.8 9.4 662 168 A C H >< S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.786 90.2 68.9 -50.7 -32.1 34.1 22.5 12.0 663 169 A R G >< + 0 0 12 -4,-0.6 3,-2.2 -3,-0.4 4,-0.4 0.383 61.3 97.5 -75.9 2.1 31.7 24.3 9.8 664 170 A Y G X S+ 0 0 32 -3,-2.1 3,-1.2 1,-0.3 -1,-0.3 0.786 75.4 73.6 -60.3 -18.5 28.8 21.8 10.1 665 171 A L G X> S+ 0 0 0 -3,-1.2 3,-2.4 1,-0.3 4,-1.7 0.770 75.7 74.3 -63.8 -26.2 27.8 24.5 12.7 666 172 A E H <>>S+ 0 0 0 -3,-2.2 4,-3.1 1,-0.3 5,-0.6 0.875 92.8 56.0 -54.3 -36.5 26.9 26.8 9.8 667 173 A L H <45S+ 0 0 5 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.447 102.2 54.4 -76.5 -2.1 23.8 24.6 9.5 668 174 A W H <45S+ 0 0 76 -3,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.837 121.1 30.5 -90.6 -45.1 22.8 25.1 13.1 669 175 A H H <5S- 0 0 11 -4,-1.7 -2,-0.2 2,-0.2 119,-0.2 0.749 98.1-130.2 -83.7 -31.6 22.8 28.9 12.7 670 176 A G T <5S+ 0 0 0 -4,-3.1 198,-2.6 1,-0.3 117,-1.1 0.475 73.1 108.2 89.2 2.8 21.9 29.2 9.0 671 177 A L B > - 0 0 22 196,-0.6 3,-3.3 -2,-0.4 4,-2.2 -0.461 39.3-107.8 -70.2 140.7 28.1 31.0 6.6 673 179 A W T 34 S+ 0 0 11 1,-0.3 -37,-2.7 2,-0.2 -38,-0.4 0.589 119.5 56.3 -48.7 -15.1 31.1 31.0 8.9 674 180 A K T 34 S+ 0 0 122 -39,-0.2 -1,-0.3 -38,-0.1 -40,-0.1 0.654 114.1 38.8 -91.4 -16.9 32.2 34.4 7.6 675 181 A L T <4 S+ 0 0 78 -3,-3.3 -2,-0.2 193,-0.2 -1,-0.1 0.733 98.1 96.6 -98.8 -30.1 28.8 35.9 8.5 676 182 A L S < S- 0 0 0 -4,-2.2 -41,-2.2 262,-0.2 2,-0.6 -0.355 76.2-123.9 -67.1 136.6 28.4 34.0 11.8 677 183 A S B >> -L 634 0L 2 260,-1.8 3,-1.8 -43,-0.2 4,-1.0 -0.706 11.9-148.0 -83.2 120.5 29.4 35.6 15.1 678 184 A A H >> S+ 0 0 1 -45,-2.0 3,-2.1 -2,-0.6 4,-0.7 0.947 94.4 64.2 -51.6 -57.1 31.9 33.6 17.0 679 185 A K H 34 S+ 0 0 98 -46,-0.4 -1,-0.3 1,-0.3 -54,-0.1 0.680 116.2 33.9 -43.1 -16.7 30.7 34.6 20.4 680 186 A D H <4 S+ 0 0 44 -3,-1.8 -1,-0.3 257,-0.1 -2,-0.2 0.527 93.4 87.8-120.1 -8.6 27.6 32.8 19.4 681 187 A T H << S+ 0 0 0 -3,-2.1 2,-0.5 -4,-1.0 -2,-0.1 0.974 83.8 58.1 -55.0 -61.8 28.7 29.9 17.2 682 188 A Y < + 0 0 53 -4,-0.7 2,-0.3 -65,-0.1 -1,-0.1 -0.610 66.5 156.0 -79.6 120.0 29.2 27.4 20.1 683 189 A F - 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