==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BOWMAN-BIRK INHIBITOR 20-AUG-98 1PBI . COMPND 2 MOLECULE: BOWMAN-BIRK PROTEINASE INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PISUM SATIVUM; . AUTHOR I.LI DE LA SIERRA,S.BRUNIE . 136 2 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7437.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 52.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 27.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.7 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 . 25 18.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 1.5 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+4), 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 . 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 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 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 1 3 3 3 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 2 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 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 5 A K 0 0 144 0, 0.0 2,-0.5 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0-136.0 17.4 20.9 37.0 2 6 A S - 0 0 97 55,-0.0 2,-0.5 27,-0.0 27,-0.2 -0.936 360.0-114.7-119.4 132.3 20.2 23.3 36.2 3 7 A A + 0 0 42 -2,-0.5 52,-0.5 25,-0.2 2,-0.3 -0.454 56.9 146.2 -62.5 111.2 20.3 26.1 33.6 4 8 A a - 0 0 30 -2,-0.5 2,-0.4 50,-0.2 52,-0.2 -0.969 33.4-154.6-145.3 159.1 22.9 25.0 31.1 5 9 A b - 0 0 0 50,-2.7 3,-0.3 -2,-0.3 132,-0.1 -0.941 8.7-170.0-142.7 121.4 23.6 25.3 27.4 6 10 A D S S+ 0 0 15 -2,-0.4 2,-0.6 1,-0.2 131,-0.2 0.892 85.9 35.2 -74.8 -40.9 25.7 23.1 25.2 7 11 A T - 0 0 1 54,-0.1 14,-2.3 55,-0.1 2,-0.5 -0.837 70.0-180.0-122.3 95.9 25.7 25.3 22.1 8 12 A c E -A 20 0A 1 -2,-0.6 127,-2.4 127,-0.5 2,-0.5 -0.829 9.4-161.5 -97.3 124.8 25.8 29.0 22.7 9 13 A L E +AB 19 134A 0 10,-2.3 10,-1.8 -2,-0.5 2,-0.4 -0.916 10.1 179.9-110.1 125.5 25.8 31.3 19.7 10 14 A d E -AB 18 133A 6 123,-2.5 123,-2.8 -2,-0.5 8,-0.2 -0.942 26.8-120.8-123.8 146.6 26.8 34.9 19.9 11 15 A T E - B 0 132A 26 6,-1.8 121,-0.2 -2,-0.4 120,-0.1 -0.333 24.3-120.6 -75.4 164.8 27.0 37.5 17.2 12 16 A K S S+ 0 0 101 119,-0.8 -1,-0.1 118,-0.1 120,-0.1 0.531 80.7 113.6 -84.1 -4.3 30.4 39.1 16.5 13 17 A S S S- 0 0 62 118,-0.4 -3,-0.0 4,-0.1 118,-0.0 0.153 73.9 -93.8 -57.5 178.8 28.7 42.5 17.4 14 18 A N S S+ 0 0 98 1,-0.5 -2,-0.1 2,-0.1 -1,-0.1 -0.893 121.1 24.1-149.5 112.0 29.6 44.6 20.4 15 19 A P S S- 0 0 109 0, 0.0 -1,-0.5 0, 0.0 -2,-0.1 0.534 108.1-140.0 -70.5 149.5 28.0 44.2 22.7 16 20 A P - 0 0 53 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.403 5.1-137.6 -76.0 157.4 27.3 40.7 21.3 17 21 A T - 0 0 69 -2,-0.1 -6,-1.8 34,-0.1 2,-0.3 -0.961 24.8-163.8-115.6 131.5 23.8 39.1 21.6 18 22 A d E +AC 10 50A 4 32,-4.0 32,-2.9 -2,-0.4 2,-0.3 -0.836 15.4 173.0-123.4 159.1 23.6 35.5 22.5 19 23 A R E -AC 9 49A 19 -10,-1.8 -10,-2.3 -2,-0.3 2,-0.6 -0.953 32.4-115.8-150.6 164.6 21.2 32.6 22.5 20 24 A b E -A 8 0A 4 28,-0.5 26,-0.5 26,-0.4 -12,-0.2 -0.950 21.0-173.2-109.0 120.9 21.1 28.9 23.2 21 25 A V + 0 0 0 -14,-2.3 -13,-0.1 -2,-0.6 -1,-0.1 0.182 36.0 135.1 -99.7 18.2 20.4 26.7 20.2 22 26 A D - 0 0 39 -15,-0.2 24,-0.6 24,-0.1 2,-0.4 -0.375 40.2-155.1 -63.6 144.2 20.1 23.4 22.0 23 27 A V E +D 45 0B 60 22,-0.1 2,-0.3 4,-0.1 22,-0.2 -0.956 31.2 112.9-126.2 143.2 17.1 21.4 20.8 24 28 A G E S-D 44 0B 25 20,-1.6 20,-2.6 -2,-0.4 3,-0.0 -0.976 76.7 -56.9-179.8-171.4 15.2 18.7 22.7 25 30 A E S S+ 0 0 130 -2,-0.3 2,-0.3 18,-0.2 18,-0.1 0.710 118.8 6.7 -63.1 -21.3 12.0 17.6 24.4 26 31 A T S S- 0 0 117 18,-0.2 2,-0.2 16,-0.1 18,-0.2 -0.943 77.7-108.0-153.0 171.6 12.3 20.6 26.7 27 32 A e - 0 0 31 -2,-0.3 7,-0.1 1,-0.1 -4,-0.1 -0.602 48.6 -81.8-101.8 164.3 14.2 23.8 27.2 28 33 A H > - 0 0 28 -2,-0.2 3,-2.3 -24,-0.1 -25,-0.2 -0.254 48.0-100.7 -66.0 155.7 16.7 24.6 30.0 29 34 A S T 3 S+ 0 0 74 1,-0.3 -1,-0.1 -27,-0.2 -26,-0.1 0.686 118.5 53.4 -49.5 -27.5 15.4 25.7 33.4 30 35 A A T 3 S+ 0 0 32 -26,-0.1 2,-0.4 -28,-0.1 -1,-0.3 0.415 79.5 122.3 -93.5 4.4 16.1 29.4 32.8 31 36 A f < - 0 0 25 -3,-2.3 3,-0.2 1,-0.2 -4,-0.1 -0.525 34.7-179.4 -74.7 122.9 14.3 29.7 29.5 32 37 A L S S+ 0 0 155 -2,-0.4 2,-0.7 1,-0.2 -1,-0.2 0.919 78.9 38.5 -83.4 -47.2 11.5 32.2 29.3 33 38 A S S S+ 0 0 49 2,-0.0 14,-2.8 73,-0.0 2,-0.7 -0.822 70.0 176.9-110.7 95.3 10.4 31.6 25.7 34 39 A e E -E 46 0B 52 -2,-0.7 2,-0.5 12,-0.2 12,-0.2 -0.860 9.1-166.5-102.7 112.5 10.5 27.9 24.8 35 40 A I E -E 45 0B 28 10,-2.6 10,-3.0 -2,-0.7 2,-0.3 -0.854 6.9-175.9-103.9 129.2 9.3 27.2 21.2 36 41 A g E -E 44 0B 60 -2,-0.5 2,-0.3 8,-0.3 8,-0.3 -0.849 23.8-126.6-122.3 157.4 8.5 23.6 20.1 37 42 A A E -E 43 0B 11 6,-2.3 2,-1.4 -2,-0.3 6,-0.8 -0.710 33.2-114.4 -95.7 150.0 7.5 22.0 16.8 38 43 A Y S S+ 0 0 117 -2,-0.3 2,-0.2 4,-0.1 -1,-0.0 -0.335 74.9 112.4 -87.4 58.7 4.3 19.8 17.0 39 44 A S S S- 0 0 59 -2,-1.4 4,-0.1 2,-0.1 -2,-0.1 -0.741 71.3 -79.9-120.4 169.6 5.9 16.4 16.2 40 45 A N S S+ 0 0 158 -2,-0.2 -2,-0.1 1,-0.1 3,-0.0 -0.969 121.9 25.2-121.0 119.7 6.4 13.3 18.3 41 46 A P S S- 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.609 111.9-118.1 -74.8 162.4 8.7 13.4 20.2 42 47 A P - 0 0 52 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.148 16.3-145.3 -65.3 162.4 8.6 17.2 20.4 43 48 A K E + E 0 37B 77 -6,-0.8 -6,-2.3 -18,-0.1 2,-0.3 -0.983 24.1 179.3-130.3 114.8 11.5 19.4 19.3 44 49 A g E -DE 24 36B 3 -20,-2.6 -20,-1.6 -2,-0.4 2,-0.3 -0.906 11.9-176.7-124.0 150.1 12.0 22.5 21.4 45 50 A Q E -DE 23 35B 3 -10,-3.0 -10,-2.6 -2,-0.3 2,-0.7 -0.987 29.8-117.8-140.1 148.8 14.4 25.4 21.3 46 51 A f E - E 0 34B 6 -24,-0.6 -26,-0.4 -26,-0.5 -12,-0.2 -0.785 20.1-169.0 -89.8 120.1 14.9 28.4 23.6 47 52 A F + 0 0 16 -14,-2.8 -13,-0.1 -2,-0.7 -1,-0.1 0.335 46.0 120.5 -89.9 8.4 14.3 31.6 21.7 48 53 A D - 0 0 25 -15,-0.3 -28,-0.5 -28,-0.1 2,-0.4 -0.374 47.1-155.5 -71.7 151.2 15.6 33.9 24.5 49 54 A T E +C 19 0A 71 -30,-0.1 2,-0.3 -2,-0.1 -30,-0.2 -0.988 18.3 164.8-128.5 139.8 18.6 36.2 23.8 50 55 A Q E -C 18 0A 34 -32,-2.9 -32,-4.0 -2,-0.4 0, 0.0 -0.884 48.2-109.9-144.5 174.6 21.0 37.5 26.4 51 56 A K S S+ 0 0 77 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.1 0.178 98.3 48.7 -94.1 18.4 24.4 39.2 26.6 52 57 A F S S- 0 0 106 -34,-0.2 2,-0.4 0, 0.0 -2,-0.2 -0.955 77.5-117.4-151.0 165.1 26.0 36.1 28.1 53 58 A c - 0 0 36 -2,-0.3 2,-0.1 -45,-0.1 3,-0.1 -0.861 24.5-127.3-108.8 142.8 26.2 32.3 27.7 54 59 A Y - 0 0 45 -2,-0.4 -50,-0.2 1,-0.1 2,-0.1 -0.390 43.8 -89.6 -77.9 163.2 25.0 29.7 30.2 55 60 A K - 0 0 147 -52,-0.5 -50,-2.7 82,-0.2 -1,-0.1 -0.442 51.1 -91.6 -75.6 153.8 27.6 27.1 31.2 56 61 A Q - 0 0 19 -52,-0.2 -50,-0.2 1,-0.1 -1,-0.1 -0.120 23.0-143.2 -58.5 159.7 27.9 23.9 29.2 57 62 A a S S+ 0 0 45 -53,-0.1 -1,-0.1 3,-0.1 -51,-0.1 0.753 97.7 6.5 -94.2 -32.6 25.8 20.9 30.2 58 63 A H S S- 0 0 130 2,-0.1 3,-0.1 -53,-0.0 -2,-0.1 0.428 88.6-128.9-128.7 -6.5 28.5 18.3 29.3 59 64 A N S S+ 0 0 81 1,-0.2 2,-0.4 0, 0.0 -53,-0.0 0.847 72.9 119.1 57.6 33.9 31.5 20.4 28.4 60 65 A S - 0 0 58 -54,-0.0 2,-0.7 0, 0.0 -1,-0.2 -0.942 70.0-126.1-134.6 110.6 31.8 18.4 25.2 61 66 A E + 0 0 91 -2,-0.4 20,-0.1 1,-0.2 -54,-0.1 -0.388 36.0 168.7 -59.0 103.6 31.5 20.2 21.9 62 67 A L + 0 0 69 -2,-0.7 19,-1.2 -56,-0.1 20,-0.3 0.568 61.8 37.5 -94.3 -12.3 28.7 18.3 20.2 63 68 A E E -F 80 0C 17 17,-0.2 2,-0.3 -57,-0.2 17,-0.2 -0.989 60.4-170.6-142.3 150.0 28.2 20.8 17.3 64 69 A E E -F 79 0C 82 15,-2.3 15,-2.2 -2,-0.3 2,-0.6 -0.967 31.1-109.5-138.8 153.2 30.3 23.0 15.2 65 70 A V E -F 78 0C 56 -2,-0.3 2,-0.7 13,-0.2 13,-0.2 -0.745 30.3-147.5 -85.3 117.3 29.6 25.8 12.7 66 71 A I E -F 77 0C 60 11,-2.5 2,-2.2 -2,-0.6 11,-0.5 -0.768 14.8-130.3 -89.4 117.1 30.4 24.6 9.1 67 72 A K 0 0 104 -2,-0.7 9,-0.1 9,-0.1 -1,-0.1 -0.420 360.0 360.0 -66.0 81.2 31.6 27.5 6.9 68 73 A N 0 0 56 -2,-2.2 56,-0.1 7,-0.2 55,-0.1 -0.411 360.0 360.0 -82.1 360.0 29.2 26.8 4.1 69 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 70 5 B K 0 0 121 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -81.1 19.0 29.9 -5.3 71 6 B S + 0 0 87 1,-0.1 2,-1.1 26,-0.0 27,-0.7 0.610 360.0 85.9 -93.0 -16.9 16.6 31.3 -2.6 72 7 B A + 0 0 18 25,-0.2 52,-0.5 26,-0.2 2,-0.3 -0.755 64.1 141.3 -86.2 99.3 17.3 28.3 -0.3 73 8 B h B -i 124 0D 22 -2,-1.1 2,-0.4 50,-0.2 52,-0.2 -0.947 37.3-151.7-139.3 159.8 20.4 29.5 1.4 74 9 B i - 0 0 0 50,-3.2 3,-0.2 -2,-0.3 -6,-0.1 -0.962 11.4-174.3-143.1 123.8 21.8 29.3 4.9 75 10 B D S S+ 0 0 39 -2,-0.4 2,-0.7 1,-0.2 -7,-0.2 0.924 84.8 35.5 -75.8 -51.3 24.2 31.7 6.7 76 11 B T S S- 0 0 5 -9,-0.1 14,-1.9 54,-0.1 2,-0.6 -0.874 71.3-177.5-113.7 100.5 24.8 29.6 9.9 77 12 B j E -FG 66 89C 3 -2,-0.7 -11,-2.5 -11,-0.5 2,-0.5 -0.867 7.8-161.7-102.4 120.1 24.9 25.9 9.3 78 13 B L E +FG 65 88C 0 10,-2.7 10,-2.2 -2,-0.6 2,-0.4 -0.884 11.4 177.3-104.9 126.4 25.3 23.7 12.4 79 14 B k E -FG 64 87C 9 -15,-2.2 -15,-2.3 -2,-0.5 8,-0.2 -0.969 27.8-120.7-128.0 142.8 26.4 20.1 12.0 80 15 B T E -F 63 0C 34 6,-2.0 -17,-0.2 -2,-0.4 -18,-0.1 -0.313 23.0-122.3 -73.1 163.4 27.1 17.5 14.7 81 16 B K S S+ 0 0 112 -19,-1.2 -1,-0.1 -20,-0.1 -18,-0.1 0.503 79.6 113.9 -84.0 -3.9 30.6 16.0 14.9 82 17 B S S S- 0 0 64 -20,-0.3 -20,-0.0 4,-0.1 -3,-0.0 0.111 74.8 -93.9 -58.8 175.9 29.0 12.6 14.4 83 18 B N S S+ 0 0 97 1,-0.5 -2,-0.1 2,-0.1 -1,-0.1 -0.917 121.2 24.0-144.3 111.1 29.3 10.4 11.4 84 19 B P S S- 0 0 109 0, 0.0 -1,-0.5 0, 0.0 2,-0.1 0.567 106.8-140.7 -72.9 152.7 27.3 10.7 9.5 85 20 B P - 0 0 50 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.482 4.3-140.6 -80.3 153.8 26.8 14.2 10.8 86 21 B T - 0 0 65 -2,-0.1 -6,-2.0 34,-0.1 2,-0.3 -0.956 24.6-164.2-113.5 132.6 23.2 15.7 11.1 87 22 B k E +GH 79 119C 3 32,-3.9 32,-2.5 -2,-0.4 2,-0.3 -0.795 15.3 175.8-122.4 161.9 22.9 19.3 10.1 88 23 B R E -G 78 0C 19 -10,-2.2 -10,-2.7 -2,-0.3 2,-0.6 -0.983 31.0-117.8-155.8 159.0 20.4 22.2 10.5 89 24 B i E -G 77 0C 9 28,-0.4 26,-0.5 26,-0.3 -12,-0.2 -0.917 20.4-172.8-105.5 116.6 20.2 25.9 9.7 90 25 B V + 0 0 0 -14,-1.9 -13,-0.1 -2,-0.6 -1,-0.1 0.114 34.9 137.8 -96.0 22.4 19.8 28.1 12.8 91 26 B D - 0 0 37 -15,-0.3 24,-0.5 24,-0.1 2,-0.3 -0.401 39.4-152.1 -67.7 144.4 19.2 31.3 10.9 92 27 B V E +J 114 0E 59 22,-0.1 2,-0.3 -2,-0.1 22,-0.2 -0.900 31.8 115.8-118.9 148.9 16.4 33.4 12.5 93 28 B G E S-J 113 0E 27 20,-1.4 20,-2.7 -2,-0.3 3,-0.0 -0.989 75.9 -63.1 176.2-174.9 14.1 35.9 10.8 94 30 B E S S+ 0 0 142 -2,-0.3 2,-0.3 18,-0.2 18,-0.1 0.584 119.3 5.2 -69.2 -8.0 10.6 37.0 9.8 95 31 B T S S- 0 0 109 18,-0.2 2,-0.2 16,-0.1 18,-0.2 -0.958 78.7-107.4-162.3 172.7 10.6 33.9 7.7 96 32 B l - 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0 0 53 0, 0.0 2,-0.5 0, 0.0 -4,-0.1 -0.179 18.1-148.2 -65.6 157.9 8.1 37.5 14.1 112 48 B K E + K 0 106E 70 -6,-0.8 -6,-2.5 -18,-0.1 2,-0.4 -0.982 24.3 176.5-128.1 113.6 11.1 35.3 14.9 113 49 B n E -JK 93 105E 2 -20,-2.7 -20,-1.4 -2,-0.5 2,-0.3 -0.929 12.1-178.1-125.4 148.2 11.3 32.1 12.8 114 50 B Q E -JK 92 104E 2 -10,-2.6 -10,-2.6 -2,-0.4 2,-0.7 -0.993 30.5-117.4-141.2 145.8 13.8 29.3 12.5 115 51 B m E - K 0 103E 8 -24,-0.5 -26,-0.3 -26,-0.5 -12,-0.2 -0.757 19.3-168.6 -87.6 117.8 13.9 26.2 10.3 116 52 B F + 0 0 16 -14,-2.9 -1,-0.1 -2,-0.7 -13,-0.1 0.466 44.9 125.8 -84.4 -1.7 13.7 23.1 12.4 117 53 B D - 0 0 20 -15,-0.4 -28,-0.4 -28,-0.1 2,-0.4 -0.125 46.2-152.9 -56.8 154.4 14.6 20.8 9.4 118 54 B T + 0 0 70 -30,-0.1 2,-0.3 2,-0.0 -30,-0.2 -0.987 21.3 161.0-132.3 137.0 17.5 18.4 9.7 119 55 B Q B -H 87 0C 44 -32,-2.5 -32,-3.9 -2,-0.4 0, 0.0 -0.945 48.5-112.3-149.2 169.0 19.6 17.2 6.8 120 56 B K S S+ 0 0 74 -2,-0.3 2,-0.3 -34,-0.2 -34,-0.1 0.083 95.1 44.9 -94.6 25.1 23.0 15.6 6.1 121 57 B F S S- 0 0 105 -34,-0.1 2,-0.4 0, 0.0 -2,-0.2 -0.967 77.6-111.4-156.1 171.2 24.3 18.7 4.3 122 58 B j - 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