==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-AUG-05 2AQ6 . COMPND 2 MOLECULE: PYRIDOXINE 5'-PHOSPHATE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR B.K.BISWAL,M.M.CHERNEY,M.WANG,C.GAREN,M.N.JAMES,TB STRUCTURA . 286 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 29.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 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 . 21 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 2 0 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 2 4 0 1 1 6 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 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 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 V >> 0 0 131 0, 0.0 3,-1.9 0, 0.0 4,-1.0 0.000 360.0 360.0 360.0 161.9 36.3 44.1 33.6 2 6 A F H >> + 0 0 72 1,-0.3 4,-1.5 2,-0.2 3,-0.8 0.833 360.0 57.7 -45.2 -44.1 35.7 43.0 37.2 3 7 A D H 3> S+ 0 0 75 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.811 98.8 60.8 -61.3 -28.1 31.9 42.9 36.7 4 8 A D H <> S+ 0 0 97 -3,-1.9 4,-1.9 2,-0.2 -1,-0.3 0.858 102.5 52.2 -65.8 -35.1 32.4 40.4 33.9 5 9 A K H < S+ 0 0 0 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.908 111.7 52.7 -64.6 -41.7 26.1 34.0 38.0 11 15 A S H 3< S+ 0 0 74 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.799 104.4 57.9 -65.2 -28.3 26.0 32.6 34.5 12 16 A G T 3< S+ 0 0 66 -4,-1.5 2,-0.3 -3,-0.2 -1,-0.3 0.242 104.5 52.4 -89.5 14.9 27.7 29.3 35.6 13 17 A N < - 0 0 56 -3,-1.3 23,-0.2 1,-0.0 3,-0.1 -0.894 52.3-159.6-141.9 171.3 25.2 28.3 38.2 14 18 A S S S+ 0 0 62 -2,-0.3 20,-2.0 1,-0.1 2,-0.4 0.202 75.2 64.7-136.6 10.0 21.5 27.7 38.7 15 19 A I E +A 33 0A 52 18,-0.2 53,-0.4 53,-0.1 2,-0.3 -0.995 56.0 156.4-136.9 143.0 21.1 27.9 42.5 16 20 A G E -A 32 0A 6 16,-2.1 16,-2.8 -2,-0.4 2,-0.7 -0.971 44.2 -97.7-156.9 169.8 21.6 30.8 44.8 17 21 A V E -AB 31 66A 9 49,-2.5 49,-2.3 -2,-0.3 2,-0.4 -0.869 35.9-154.1 -99.2 114.8 20.7 32.3 48.1 18 22 A L E -AB 30 65A 0 12,-3.0 12,-2.0 -2,-0.7 2,-0.6 -0.752 3.9-158.6 -90.1 129.8 17.9 34.9 47.8 19 23 A A E +AB 29 64A 0 45,-3.3 45,-1.3 -2,-0.4 2,-0.2 -0.943 15.6 173.4-112.4 116.3 17.8 37.6 50.5 20 24 A T E -A 28 0A 0 8,-2.1 8,-2.7 -2,-0.6 2,-0.5 -0.700 32.4-111.2-111.9 169.4 14.5 39.4 51.0 21 25 A I E -A 27 0A 4 39,-0.4 39,-0.2 41,-0.4 38,-0.1 -0.909 26.9-139.5-109.7 124.9 13.6 41.9 53.7 22 26 A K > - 0 0 27 4,-3.1 3,-2.0 -2,-0.5 6,-0.0 -0.171 32.8 -96.8 -72.8 170.3 11.2 41.0 56.4 23 27 A H T 3 S+ 0 0 142 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.880 126.5 49.6 -53.3 -43.0 8.5 43.3 57.9 24 28 A D T 3 S- 0 0 72 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.372 122.0-105.2 -82.0 5.0 10.9 44.2 60.7 25 29 A G S < S+ 0 0 22 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.284 78.9 128.9 92.6 -12.4 13.8 45.0 58.4 26 30 A R - 0 0 28 -5,-0.1 -4,-3.1 1,-0.1 -1,-0.3 -0.475 63.5-107.5 -76.5 148.1 15.8 41.8 59.1 27 31 A P E -A 21 0A 0 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.471 24.8-152.5 -75.8 148.4 17.0 39.8 56.1 28 32 A Q E -A 20 0A 28 -8,-2.7 -8,-2.1 -2,-0.1 2,-0.4 -0.982 11.9-149.7-118.1 132.7 15.3 36.4 55.3 29 33 A L E +A 19 0A 0 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.894 22.1 163.9-111.1 134.7 17.5 33.9 53.5 30 34 A S E -A 18 0A 4 -12,-2.0 -12,-3.0 -2,-0.4 2,-0.4 -0.974 33.3-126.0-140.5 150.2 16.2 31.2 51.1 31 35 A N E -A 17 0A 21 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.829 36.4-178.0 -99.0 141.3 17.8 29.0 48.5 32 36 A V E -A 16 0A 11 -16,-2.8 -16,-2.1 -2,-0.4 2,-0.4 -0.957 29.4-123.4-139.8 157.9 16.3 29.3 45.0 33 37 A Q E +A 15 0A 95 -2,-0.3 13,-0.4 13,-0.2 2,-0.3 -0.802 42.0 175.5 -96.4 139.2 16.6 27.8 41.5 34 38 A Y - 0 0 3 -20,-2.0 2,-0.4 -2,-0.4 11,-0.2 -0.936 31.6-139.9-144.2 167.7 17.2 30.4 38.8 35 39 A H E -E 44 0B 41 9,-1.8 9,-2.7 -2,-0.3 2,-0.5 -0.994 20.7-145.0-126.3 133.2 17.8 31.2 35.2 36 40 A F E -E 43 0B 24 -2,-0.4 7,-0.2 7,-0.2 -2,-0.0 -0.892 5.7-155.7-102.9 125.3 20.2 33.9 34.1 37 41 A D E >> -E 42 0B 25 5,-3.0 5,-1.8 -2,-0.5 4,-1.0 -0.879 7.3-172.1-100.9 108.3 19.4 35.9 31.0 38 42 A P T 45S+ 0 0 91 0, 0.0 -1,-0.2 0, 0.0 5,-0.0 0.812 79.8 66.5 -68.3 -29.5 22.5 37.4 29.5 39 43 A R T 45S+ 0 0 189 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.953 122.6 13.3 -56.5 -53.8 20.6 39.4 26.9 40 44 A K T 45S- 0 0 123 -3,-0.1 -1,-0.2 2,-0.1 92,-0.2 0.332 103.8-117.4-106.9 6.4 18.9 41.6 29.5 41 45 A L T <5 + 0 0 70 -4,-1.0 91,-2.2 1,-0.2 2,-0.3 0.982 63.3 149.5 53.9 62.5 21.1 40.7 32.5 42 46 A L E < -EF 37 131B 21 -5,-1.8 -5,-3.0 89,-0.2 2,-0.5 -0.904 44.4-148.2-126.5 153.5 18.2 39.3 34.5 43 47 A I E -EF 36 130B 0 87,-1.6 87,-2.9 -2,-0.3 2,-0.4 -0.994 22.4-164.7-120.4 120.9 17.8 36.6 37.1 44 48 A Q E +EF 35 129B 35 -9,-2.7 -9,-1.8 -2,-0.5 2,-0.3 -0.920 11.2 172.5-114.0 134.7 14.4 34.8 36.9 45 49 A V E - F 0 128B 2 83,-2.5 83,-3.3 -2,-0.4 2,-0.6 -0.976 28.7-128.6-139.6 151.1 12.9 32.6 39.5 46 50 A S E + F 0 127B 38 -13,-0.4 2,-0.3 -2,-0.3 -13,-0.2 -0.884 35.9 169.0-101.6 123.1 9.6 30.9 40.2 47 51 A I E - F 0 126B 2 79,-2.7 79,-3.3 -2,-0.6 2,-0.4 -0.873 31.3-117.4-130.7 164.0 8.0 31.5 43.6 48 52 A A E > - F 0 125B 7 -2,-0.3 3,-1.7 77,-0.2 6,-0.3 -0.883 18.4-131.7-107.0 134.4 4.7 30.9 45.3 49 53 A E T 3 S+ 0 0 47 75,-2.3 6,-0.1 -2,-0.4 -1,-0.1 0.824 103.0 56.5 -50.0 -41.5 2.5 33.8 46.5 50 54 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.3 0, 0.0 74,-0.1 0.712 83.8 105.4 -69.4 -16.3 1.8 32.2 50.0 51 55 A R S <> S- 0 0 162 -3,-1.7 4,-2.2 1,-0.1 3,-0.4 -0.314 76.7-126.6 -66.7 145.9 5.5 32.0 50.8 52 56 A A H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.907 109.8 55.7 -57.5 -44.7 7.0 34.4 53.3 53 57 A K H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.858 108.4 48.6 -58.6 -34.9 9.8 35.5 50.9 54 58 A T H > S+ 0 0 0 -3,-0.4 4,-1.7 -6,-0.3 -1,-0.2 0.922 110.2 50.0 -71.4 -42.6 7.1 36.3 48.3 55 59 A R H X S+ 0 0 147 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.859 108.9 54.3 -62.1 -34.3 5.1 38.4 50.8 56 60 A N H X S+ 0 0 16 -4,-2.5 4,-2.7 1,-0.2 3,-0.3 0.924 108.4 47.9 -63.5 -45.2 8.4 40.1 51.7 57 61 A L H < S+ 0 0 3 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.766 105.2 59.5 -67.8 -27.2 8.9 41.1 48.1 58 62 A R H < S+ 0 0 103 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.847 114.9 35.5 -69.5 -34.4 5.4 42.3 47.8 59 63 A R H < S+ 0 0 131 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.847 139.1 14.3 -85.6 -38.8 6.0 44.9 50.5 60 64 A D < - 0 0 18 -4,-2.7 -39,-0.4 -39,-0.2 -1,-0.3 -0.872 65.5-166.5-142.0 101.1 9.6 45.6 49.7 61 65 A P + 0 0 49 0, 0.0 21,-3.1 0, 0.0 2,-0.2 0.463 48.9 121.4 -68.8 -3.0 10.8 44.5 46.2 62 66 A R E + C 0 81A 66 19,-0.2 -41,-0.4 -41,-0.0 2,-0.3 -0.465 40.9 172.4 -67.1 128.1 14.5 45.0 46.9 63 67 A A E - C 0 80A 0 17,-2.7 17,-2.5 -2,-0.2 2,-0.3 -0.966 23.5-167.6-141.2 155.0 16.4 41.7 46.5 64 68 A S E -BC 19 79A 0 -45,-1.3 -45,-3.3 -2,-0.3 2,-0.4 -0.980 5.3-163.8-138.4 147.4 19.8 40.2 46.5 65 69 A I E -BC 18 78A 0 13,-1.9 13,-2.6 -2,-0.3 2,-0.5 -0.984 6.7-154.6-137.2 123.3 21.0 36.8 45.4 66 70 A L E -BC 17 77A 3 -49,-2.3 -49,-2.5 -2,-0.4 2,-0.4 -0.844 13.4-169.0 -98.3 132.5 24.4 35.3 46.2 67 71 A V E - C 0 76A 0 9,-3.2 9,-2.2 -2,-0.5 2,-0.2 -0.980 15.2-132.2-124.9 133.4 25.8 32.7 43.8 68 72 A D E - C 0 75A 38 -2,-0.4 7,-0.3 -53,-0.4 -53,-0.1 -0.553 18.2-129.2 -82.8 147.2 28.8 30.4 44.4 69 73 A A > - 0 0 11 5,-2.8 3,-1.9 -2,-0.2 -1,-0.1 -0.263 42.7 -86.3 -81.1 177.0 31.5 29.9 41.8 70 74 A D T 3 S+ 0 0 164 1,-0.3 -1,-0.1 2,-0.1 5,-0.0 0.556 127.3 62.0 -66.6 -5.3 32.6 26.4 40.8 71 75 A D T 3 S- 0 0 84 3,-0.1 -1,-0.3 0, 0.0 4,-0.1 0.567 104.5-129.0 -93.7 -7.5 35.1 26.3 43.7 72 76 A G S < S+ 0 0 29 -3,-1.9 -2,-0.1 2,-0.2 3,-0.1 0.575 94.8 61.4 73.8 11.3 32.3 26.6 46.2 73 77 A W S S+ 0 0 59 1,-0.1 102,-0.2 65,-0.0 65,-0.1 0.567 82.8 74.0-131.8 -46.8 34.0 29.5 48.0 74 78 A S + 0 0 1 69,-0.1 -5,-2.8 63,-0.1 2,-0.3 -0.415 68.5 174.6 -69.0 153.0 34.4 32.4 45.6 75 79 A Y E -CD 68 138A 15 63,-1.9 63,-1.1 -7,-0.3 2,-0.3 -0.970 30.5-143.8-156.6 170.7 31.1 34.1 44.9 76 80 A A E -CD 67 137A 0 -9,-2.2 -9,-3.2 -2,-0.3 2,-0.4 -0.971 13.6-152.6-137.7 149.1 29.1 36.9 43.3 77 81 A V E -CD 66 136A 0 59,-2.7 59,-1.8 -2,-0.3 2,-0.5 -0.994 4.9-153.9-128.2 127.8 26.1 38.8 44.6 78 82 A A E -CD 65 135A 0 -13,-2.6 -13,-1.9 -2,-0.4 2,-0.4 -0.872 11.3-165.3-101.9 132.0 23.5 40.4 42.4 79 83 A E E +CD 64 134A 18 55,-3.2 54,-2.3 -2,-0.5 55,-1.8 -0.940 26.9 119.4-118.5 135.8 21.5 43.4 43.8 80 84 A G E -C 63 0A 0 -17,-2.5 -17,-2.7 -2,-0.4 2,-0.6 -0.962 60.1 -83.2-170.6-173.3 18.3 44.8 42.3 81 85 A T E -C 62 0A 63 50,-0.5 -19,-0.2 -2,-0.3 -2,-0.0 -0.958 48.3-127.0-116.4 114.1 14.7 45.6 42.6 82 86 A A - 0 0 8 -21,-3.1 2,-0.5 -2,-0.6 48,-0.2 -0.190 13.0-154.9 -61.5 146.0 12.4 42.7 41.9 83 87 A Q E -G 129 0B 123 46,-2.6 46,-2.9 0, 0.0 2,-0.4 -0.991 17.4-166.4-123.0 117.8 9.6 42.8 39.4 84 88 A L E -G 128 0B 37 -2,-0.5 44,-0.2 44,-0.2 42,-0.0 -0.873 14.3-137.9-111.4 142.1 6.8 40.2 40.1 85 89 A T - 0 0 31 42,-1.4 3,-0.1 -2,-0.4 44,-0.0 -0.403 40.5 -93.5 -83.3 166.2 4.0 39.1 37.9 86 90 A P - 0 0 88 0, 0.0 41,-0.3 0, 0.0 -1,-0.1 -0.423 59.3 -82.8 -74.6 165.2 0.6 38.7 39.5 87 91 A P - 0 0 43 0, 0.0 39,-0.2 0, 0.0 38,-0.1 -0.386 55.5 -87.7 -68.5 150.1 0.1 35.1 40.7 88 92 A A + 0 0 0 37,-2.5 36,-0.2 32,-0.3 37,-0.0 -0.344 53.4 168.2 -54.8 128.6 -1.1 32.6 38.1 89 93 A A + 0 0 70 1,-0.4 -1,-0.2 -3,-0.1 32,-0.0 0.643 62.2 23.8-117.6 -28.1 -5.0 32.8 38.2 90 94 A A S > S- 0 0 33 1,-0.0 3,-2.0 27,-0.0 -1,-0.4 -0.992 79.4-116.0-140.4 143.3 -6.0 30.9 35.1 91 95 A P T 3 S+ 0 0 71 0, 0.0 29,-0.1 0, 0.0 28,-0.1 0.695 114.5 43.0 -52.3 -21.7 -4.2 28.1 33.2 92 96 A D T 3 S+ 0 0 118 4,-0.1 5,-0.0 25,-0.0 -4,-0.0 0.365 87.6 117.8-108.5 4.7 -3.9 30.3 30.1 93 97 A D S <> S- 0 0 36 -3,-2.0 4,-2.1 1,-0.1 3,-0.3 -0.160 78.3-101.9 -73.6 168.0 -3.0 33.7 31.5 94 98 A D H > S+ 0 0 143 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.783 119.1 57.5 -57.4 -32.1 0.2 35.6 30.9 95 99 A T H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.929 107.6 47.5 -66.2 -43.9 1.8 34.6 34.2 96 100 A V H > S+ 0 0 0 -6,-0.3 4,-2.1 -3,-0.3 -2,-0.2 0.924 110.9 51.4 -62.6 -44.2 1.5 31.0 33.3 97 101 A E H X S+ 0 0 80 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.901 109.7 50.1 -60.6 -39.4 2.9 31.6 29.9 98 102 A A H X S+ 0 0 31 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.890 110.7 49.4 -65.9 -37.4 5.9 33.4 31.5 99 103 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.803 107.1 55.5 -71.7 -27.8 6.4 30.5 33.8 100 104 A I H X S+ 0 0 6 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.901 106.9 50.4 -69.6 -39.0 6.3 28.1 30.9 101 105 A A H X S+ 0 0 49 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.896 110.9 49.4 -64.5 -39.8 9.1 30.0 29.3 102 106 A L H X S+ 0 0 6 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.929 107.8 52.9 -65.3 -45.5 11.1 29.8 32.5 103 107 A Y H X>S+ 0 0 72 -4,-2.4 4,-3.0 1,-0.2 5,-1.9 0.920 107.9 51.7 -56.8 -43.9 10.5 26.1 32.8 104 108 A R H <5S+ 0 0 128 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.882 111.7 47.5 -60.6 -37.6 11.8 25.6 29.3 105 109 A N H <5S+ 0 0 90 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.832 124.3 30.0 -72.9 -33.0 14.9 27.6 30.2 106 110 A I H <5S+ 0 0 47 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.899 139.1 9.9 -93.4 -48.6 15.6 25.8 33.4 107 111 A A T <5S- 0 0 68 -4,-3.0 2,-0.3 1,-0.3 -3,-0.2 0.652 96.3-125.9-109.3 -20.9 14.3 22.2 33.0 108 112 A G < - 0 0 25 -5,-1.9 2,-0.6 -6,-0.2 -1,-0.3 -0.767 61.8 -4.2 110.8-157.1 13.5 21.8 29.3 109 113 A E S S- 0 0 123 -2,-0.3 -5,-0.0 -5,-0.1 -6,-0.0 -0.674 70.6-133.3 -82.8 116.0 10.3 20.7 27.5 110 114 A H - 0 0 33 -2,-0.6 3,-0.3 -10,-0.1 -1,-0.0 -0.284 8.0-132.7 -64.6 150.2 7.6 19.6 30.0 111 115 A S S S+ 0 0 130 1,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.883 96.4 19.4 -72.2 -41.4 5.8 16.3 29.3 112 116 A D >> - 0 0 82 1,-0.1 4,-1.9 2,-0.0 3,-1.1 -0.778 62.5-176.0-135.6 90.5 2.3 17.7 29.9 113 117 A W H 3> S+ 0 0 41 -3,-0.3 4,-3.0 -2,-0.3 5,-0.2 0.772 86.0 61.3 -56.4 -28.1 2.0 21.5 29.7 114 118 A D H 3> S+ 0 0 117 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.874 105.3 46.9 -68.1 -34.7 -1.6 21.2 30.7 115 119 A D H <> S+ 0 0 84 -3,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.903 113.0 49.8 -70.3 -41.3 -0.6 19.6 34.0 116 120 A Y H X S+ 0 0 20 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.938 109.2 51.2 -61.0 -49.4 2.0 22.3 34.4 117 121 A R H X S+ 0 0 46 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.932 110.8 48.8 -54.1 -49.4 -0.5 25.1 33.8 118 122 A Q H X S+ 0 0 124 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.892 110.4 51.6 -58.4 -42.8 -2.9 23.6 36.3 119 123 A A H X S+ 0 0 30 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.854 105.0 54.7 -64.9 -37.6 -0.1 23.3 38.9 120 124 A M H <>S+ 0 0 14 -4,-2.3 5,-2.8 2,-0.2 -32,-0.3 0.905 112.6 44.3 -63.3 -40.0 1.0 27.0 38.5 121 125 A V H ><5S+ 0 0 23 -4,-1.7 3,-1.5 3,-0.2 -2,-0.2 0.931 111.9 52.3 -68.9 -46.2 -2.5 28.1 39.2 122 126 A T H 3<5S+ 0 0 95 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.887 116.1 40.0 -57.1 -41.4 -3.0 25.7 42.1 123 127 A D T 3<5S- 0 0 76 -4,-2.4 -74,-0.3 -5,-0.1 -1,-0.3 0.279 107.2-124.3 -93.5 11.5 0.2 26.9 43.8 124 128 A R T < 5 - 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