==== 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 12-JUL-07 2QL8 . COMPND 2 MOLECULE: PUTATIVE REDOX PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 282 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 19.9 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 6 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 2 0 0 2 0 0 0 0 2 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 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 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 1 A X 0 0 111 0, 0.0 6,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -80.7 31.0 19.6 9.6 2 2 A Q + 0 0 130 1,-0.1 2,-1.1 2,-0.1 3,-0.0 0.923 360.0 68.3 -53.9 -45.9 31.0 23.4 8.8 3 3 A D S > S- 0 0 43 1,-0.2 3,-1.9 2,-0.1 -1,-0.1 -0.676 76.1-164.0 -81.7 102.7 32.1 23.7 12.4 4 4 A E G > S+ 0 0 144 -2,-1.1 3,-2.1 1,-0.3 4,-0.3 0.574 75.5 88.4 -70.7 -4.1 35.6 22.1 12.4 5 5 A R G 3 S+ 0 0 86 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.664 84.1 60.2 -63.1 -16.2 35.5 21.8 16.1 6 6 A W G < S+ 0 0 47 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.465 78.5 95.4 -82.5 -1.6 33.8 18.5 15.3 7 7 A N S < S+ 0 0 110 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.796 102.1 0.3 -69.3 -32.0 36.9 17.2 13.4 8 8 A H S S- 0 0 174 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 -0.428 78.4-176.9-154.6 72.2 38.7 15.3 16.1 9 9 A P - 0 0 30 0, 0.0 217,-0.2 0, 0.0 3,-0.1 -0.198 35.7-124.3 -70.3 165.5 36.9 15.2 19.5 10 10 A L S S- 0 0 73 215,-2.3 2,-0.3 1,-0.3 216,-0.2 0.817 94.4 -7.6 -67.1 -34.6 38.2 13.6 22.7 11 11 A Y E -A 225 0A 44 214,-1.3 214,-2.8 2,-0.0 2,-0.3 -0.960 63.1-166.3-163.0 143.0 34.9 11.7 22.9 12 12 A T E +A 224 0A 81 -2,-0.3 2,-0.3 212,-0.2 212,-0.2 -0.981 9.5 172.1-134.0 151.4 31.6 11.5 21.2 13 13 A T E -A 223 0A 15 210,-2.2 210,-2.3 -2,-0.3 2,-0.3 -0.914 16.8-142.5-144.1 170.9 28.3 9.8 22.0 14 14 A T E -A 222 0A 35 -2,-0.3 2,-0.3 208,-0.2 208,-0.2 -0.978 6.3-163.6-136.9 153.7 24.8 9.7 20.6 15 15 A A E -A 221 0A 0 206,-2.2 206,-3.0 -2,-0.3 2,-0.4 -0.993 9.3-163.4-136.4 139.6 21.3 9.6 22.2 16 16 A I E -AB 220 26A 15 10,-2.9 10,-2.5 -2,-0.3 2,-0.4 -0.968 14.8-179.7-125.8 140.9 18.0 8.7 20.5 17 17 A N E +A 219 0A 4 202,-2.4 202,-2.0 -2,-0.4 8,-0.1 -0.942 17.1 154.3-133.2 117.6 14.3 9.2 21.3 18 18 A D + 0 0 72 -2,-0.4 2,-0.2 6,-0.3 7,-0.1 0.133 48.8 88.3-125.5 26.2 11.9 7.8 18.7 19 19 A E S S- 0 0 52 5,-0.5 4,-0.2 1,-0.2 197,-0.0 -0.530 79.4 -83.3-120.1 172.5 8.9 7.1 20.9 20 20 A E - 0 0 125 2,-0.4 4,-0.2 -2,-0.2 -1,-0.2 -0.236 58.1 -88.1 -65.8 168.8 5.7 8.8 22.2 21 21 A L S S+ 0 0 68 1,-0.2 2,-1.2 181,-0.1 181,-0.1 0.882 130.6 57.0 -50.9 -44.3 5.8 11.0 25.3 22 22 A E S S+ 0 0 72 14,-0.2 -2,-0.4 12,-0.0 14,-0.2 -0.771 99.8 81.1 -84.6 95.7 5.3 7.8 27.3 23 23 A G E S- C 0 35A 3 12,-1.5 12,-2.3 -2,-1.2 2,-0.3 -0.472 74.3 -79.9-157.9-134.0 8.3 6.1 25.9 24 24 A H E - C 0 34A 59 10,-0.3 -5,-0.5 -4,-0.2 -6,-0.3 -0.967 16.1-152.4-153.6 161.0 12.1 5.7 26.3 25 25 A A E - C 0 33A 0 8,-2.1 8,-2.9 -2,-0.3 2,-0.3 -0.962 24.9-177.5-135.3 147.9 15.3 7.4 25.3 26 26 A Y E -BC 16 32A 62 -10,-2.5 -10,-2.9 -2,-0.3 6,-0.2 -0.997 34.3-127.8-150.8 154.9 18.6 5.6 24.8 27 27 A I > - 0 0 6 4,-2.7 3,-3.0 -2,-0.3 -12,-0.2 -0.907 47.0-114.3 -91.9 118.6 22.3 5.7 24.1 28 28 A P T 3 S+ 0 0 57 0, 0.0 -14,-0.2 0, 0.0 3,-0.1 -0.396 104.9 10.8 -55.9 128.9 22.9 3.2 21.3 29 29 A G T 3 S+ 0 0 100 1,-0.3 2,-0.1 -2,-0.1 -3,-0.0 0.421 134.1 48.9 81.6 -2.4 25.1 0.5 22.8 30 30 A G S < S+ 0 0 45 -3,-3.0 -1,-0.3 1,-0.2 156,-0.1 -0.361 93.1 2.8-140.9-145.1 24.4 1.9 26.3 31 31 A L - 0 0 55 -3,-0.1 -4,-2.7 -2,-0.1 2,-0.4 -0.244 46.2-167.9 -62.3 133.5 21.9 3.2 28.8 32 32 A K E -C 26 0A 124 -6,-0.2 2,-0.4 -8,-0.0 -6,-0.2 -0.989 7.3-168.7-119.2 134.5 18.2 3.1 28.1 33 33 A V E -C 25 0A 6 -8,-2.9 -8,-2.1 -2,-0.4 2,-0.3 -0.944 22.9-121.7-122.6 140.9 15.8 5.0 30.3 34 34 A Q E -C 24 0A 102 -2,-0.4 11,-3.0 -10,-0.2 2,-0.3 -0.643 35.1-162.6 -73.4 136.6 12.0 4.9 30.5 35 35 A T E +Cd 23 45A 2 -12,-2.3 -12,-1.5 -2,-0.3 2,-0.3 -0.877 16.3 164.1-122.2 156.7 10.5 8.4 29.9 36 36 A S - 0 0 6 9,-2.5 -14,-0.2 -2,-0.3 8,-0.1 -0.975 47.0 -73.4-161.6 163.5 7.1 10.0 30.6 37 37 A S > - 0 0 18 -2,-0.3 3,-1.3 1,-0.2 5,-0.3 -0.423 32.9-139.0 -61.2 136.9 5.5 13.4 30.8 38 38 A P T 3 S+ 0 0 22 0, 0.0 -1,-0.2 0, 0.0 115,-0.1 0.686 98.3 72.0 -67.7 -15.1 6.5 15.3 34.0 39 39 A X T 3 S+ 0 0 107 113,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.421 97.1 51.4 -84.6 0.7 2.8 16.4 34.2 40 40 A N S < S- 0 0 56 -3,-1.3 -4,-0.1 2,-0.1 0, 0.0 -0.753 85.4-115.1-125.5 179.4 1.5 12.9 35.2 41 41 A D + 0 0 151 -2,-0.2 3,-0.1 2,-0.0 -2,-0.0 0.184 67.4 128.5 -99.7 14.3 2.4 10.3 37.9 42 42 A H - 0 0 90 -5,-0.3 -2,-0.1 1,-0.1 -6,-0.1 -0.328 68.0 -96.4 -68.4 152.7 3.6 7.6 35.5 43 43 A P S S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.292 77.8 75.5 -60.0 153.2 7.0 6.0 36.0 44 44 A G - 0 0 32 -3,-0.1 -9,-0.3 -8,-0.1 -20,-0.1 -0.267 69.1 -93.4 124.2 155.7 9.8 7.4 34.0 45 45 A T B -d 35 0A 3 -11,-3.0 -9,-2.5 -2,-0.1 3,-0.0 -0.106 31.8-157.3 -89.0-172.8 12.3 10.2 33.7 46 46 A N > - 0 0 4 -11,-0.2 4,-2.5 -9,-0.1 5,-0.2 -0.936 38.0 -87.1-160.9 167.8 12.0 13.4 31.6 47 47 A P H > S+ 0 0 12 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.831 122.6 56.2 -58.7 -32.0 14.2 16.1 30.0 48 48 A E H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.950 112.2 41.2 -64.1 -50.1 14.2 18.2 33.2 49 49 A Q H > S+ 0 0 21 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.911 114.6 51.7 -61.8 -47.3 15.6 15.3 35.3 50 50 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.905 110.2 49.5 -62.2 -41.6 18.0 14.3 32.6 51 51 A L H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.922 110.8 49.6 -60.7 -45.3 19.4 17.8 32.4 52 52 A G H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.907 110.8 49.7 -60.9 -42.4 19.8 18.0 36.1 53 53 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.906 112.6 48.9 -61.4 -42.3 21.6 14.7 36.1 54 54 A S H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.959 116.1 40.4 -60.9 -54.8 23.9 15.9 33.4 55 55 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.913 114.3 51.3 -65.5 -46.4 24.7 19.3 35.0 56 56 A S H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.922 114.0 45.8 -56.7 -43.7 25.1 18.0 38.5 57 57 A T H X S+ 0 0 7 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.906 114.4 47.1 -66.3 -42.9 27.5 15.3 37.3 58 58 A C H X S+ 0 0 5 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.929 114.0 46.6 -66.6 -43.5 29.5 17.7 35.1 59 59 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.917 112.8 50.3 -61.8 -43.5 29.8 20.3 37.9 60 60 A E H X S+ 0 0 2 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.902 111.1 48.5 -63.9 -42.4 30.8 17.6 40.4 61 61 A A H X S+ 0 0 32 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.898 112.9 48.3 -62.1 -42.2 33.5 16.2 38.0 62 62 A T H X S+ 0 0 16 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.931 110.9 50.7 -65.2 -42.0 34.8 19.7 37.5 63 63 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.903 107.5 53.4 -62.8 -41.8 34.8 20.3 41.2 64 64 A E H X S+ 0 0 18 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.916 109.0 49.6 -60.8 -41.1 36.7 17.1 41.8 65 65 A A H X S+ 0 0 40 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.934 112.1 47.9 -63.3 -43.8 39.4 18.3 39.3 66 66 A V H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.932 110.2 51.6 -62.1 -46.5 39.6 21.7 41.1 67 67 A E H ><>S+ 0 0 2 -4,-2.9 5,-2.6 1,-0.2 3,-0.5 0.926 110.5 49.2 -55.5 -46.8 39.9 20.0 44.4 68 68 A K H ><5S+ 0 0 141 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.890 105.7 55.5 -64.6 -39.3 42.8 17.8 43.1 69 69 A E H 3<5S+ 0 0 85 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.791 110.1 48.6 -61.4 -29.1 44.6 20.8 41.6 70 70 A H T <<5S- 0 0 96 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.322 119.3-112.7 -90.0 3.4 44.5 22.3 45.2 71 71 A G T < 5S+ 0 0 69 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.729 72.7 134.9 74.0 23.5 45.8 19.0 46.8 72 72 A L < - 0 0 63 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.727 57.0-114.2-109.8 150.0 42.5 18.3 48.5 73 73 A P - 0 0 94 0, 0.0 2,-0.8 0, 0.0 30,-0.1 -0.283 47.6 -87.4 -71.2 169.5 40.4 15.2 48.9 74 74 A H + 0 0 47 1,-0.2 -10,-0.1 28,-0.0 87,-0.1 -0.711 66.1 140.8 -87.5 109.1 36.9 15.1 47.3 75 75 A T + 0 0 49 -2,-0.8 27,-2.1 85,-0.0 -1,-0.2 0.208 36.8 115.5-127.6 11.6 34.4 16.5 49.7 76 76 A G E -G 101 0B 4 25,-0.2 2,-0.3 -16,-0.1 25,-0.2 -0.425 38.0-175.7 -85.6 157.7 32.2 18.4 47.2 77 77 A A E -G 100 0B 9 23,-2.1 23,-2.6 -2,-0.1 2,-0.4 -0.984 8.1-155.7-147.9 149.6 28.5 17.8 46.2 78 78 A V E -GH 99 158B 0 80,-2.3 80,-2.6 -2,-0.3 2,-0.4 -0.993 5.9-172.2-131.2 136.2 26.2 19.4 43.7 79 79 A R E -GH 98 157B 63 19,-2.3 19,-2.9 -2,-0.4 2,-0.5 -0.991 8.2-165.4-122.9 132.4 22.4 19.6 43.6 80 80 A V E -GH 97 156B 0 76,-3.1 76,-2.6 -2,-0.4 2,-0.4 -0.980 3.3-160.7-121.4 129.0 20.6 21.0 40.5 81 81 A K E -GH 96 155B 85 15,-3.1 15,-2.7 -2,-0.5 2,-0.4 -0.872 7.6-167.5-104.5 135.6 17.0 22.1 40.5 82 82 A V E -GH 95 154B 0 72,-2.4 72,-2.1 -2,-0.4 2,-0.4 -0.996 1.5-163.8-125.5 130.5 15.2 22.3 37.2 83 83 A A E -GH 94 153B 0 11,-2.3 11,-2.3 -2,-0.4 2,-0.5 -0.905 11.8-145.8-112.5 142.5 11.8 24.0 36.7 84 84 A F E +GH 93 152B 25 68,-2.8 67,-2.2 -2,-0.4 68,-1.3 -0.935 32.9 169.2-104.4 125.3 9.3 23.7 33.8 85 85 A I E +G 92 0B 16 7,-2.6 7,-2.3 -2,-0.5 2,-0.3 -0.889 22.7 34.8-134.1 159.6 7.5 26.9 33.2 86 86 A G E -G 91 0B 47 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.680 68.8 -78.7 111.9-145.5 5.2 28.7 30.6 87 87 A A E > -G 90 0B 45 3,-0.7 3,-2.9 -2,-0.3 -2,-0.1 -0.886 67.8 -36.6-154.4 172.0 2.4 27.6 28.2 88 88 A R T 3 S- 0 0 148 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 -0.086 129.6 -1.7 -42.3 129.0 1.9 26.0 24.7 89 89 A A T 3 S+ 0 0 28 1,-0.1 -1,-0.3 171,-0.0 -3,-0.0 0.472 127.8 73.8 64.3 8.2 4.7 27.1 22.3 90 90 A E E < +G 87 0B 132 -3,-2.9 -3,-0.7 2,-0.0 2,-0.3 -0.254 65.1 138.0-140.7 38.0 6.1 29.3 25.1 91 91 A Y E +G 86 0B 82 169,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.644 23.6 175.5 -92.1 148.1 7.7 26.7 27.5 92 92 A Q E -G 85 0B 61 -7,-2.3 -7,-2.6 -2,-0.3 2,-0.4 -0.959 24.1-132.4-140.5 162.3 11.0 27.1 29.2 93 93 A F E -G 84 0B 3 169,-0.4 2,-0.4 -2,-0.3 -9,-0.2 -0.941 14.5-155.8-109.6 143.0 13.3 25.4 31.7 94 94 A L E -G 83 0B 0 -11,-2.3 -11,-2.3 -2,-0.4 2,-0.4 -0.921 10.4-160.5-110.7 143.6 14.9 27.2 34.6 95 95 A V E +Gi 82 132B 0 36,-2.8 38,-2.2 -2,-0.4 2,-0.4 -0.990 11.7 178.9-132.1 127.1 18.1 25.7 36.1 96 96 A H E -Gi 81 133B 41 -15,-2.7 -15,-3.1 -2,-0.4 2,-0.4 -0.974 9.7-163.0-131.1 118.6 19.6 26.4 39.6 97 97 A A E -Gi 80 134B 0 36,-2.7 38,-2.1 -2,-0.4 2,-0.4 -0.816 2.2-163.4-103.8 143.0 22.8 24.7 40.8 98 98 A Q E -Gi 79 135B 33 -19,-2.9 -19,-2.3 -2,-0.4 2,-0.4 -0.993 7.9-165.0-123.3 131.9 23.9 24.5 44.5 99 99 A V E -Gi 78 136B 0 36,-2.5 38,-2.4 -2,-0.4 2,-0.3 -0.953 7.0-178.5-122.9 130.2 27.5 23.6 45.3 100 100 A X E -G 77 0B 27 -23,-2.6 -23,-2.1 -2,-0.4 2,-0.4 -0.947 12.2-167.2-121.7 147.2 28.9 22.6 48.7 101 101 A V E > -G 76 0B 10 36,-0.4 3,-1.1 -2,-0.3 -25,-0.2 -0.891 6.0-168.9-131.0 104.1 32.5 21.7 49.6 102 102 A K T 3 S+ 0 0 120 -27,-2.1 -26,-0.1 -2,-0.4 -1,-0.1 0.755 76.7 62.1 -65.3 -26.3 32.4 20.0 53.1 103 103 A G T 3 S+ 0 0 56 -30,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.535 100.9 50.3 -80.4 -4.1 36.2 20.1 53.7 104 104 A V S < S- 0 0 39 -3,-1.1 -3,-0.2 1,-0.1 5,-0.0 -0.791 84.9 -80.3-140.8 164.0 36.7 23.9 53.6 105 105 A D >> - 0 0 99 -2,-0.3 4,-2.3 1,-0.1 3,-0.7 -0.260 49.7-110.6 -61.3 150.5 35.9 27.4 54.7 106 106 A F H 3> S+ 0 0 89 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.867 117.4 56.5 -57.4 -38.7 32.9 29.1 53.0 107 107 A D H 3> S+ 0 0 111 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.875 108.5 47.4 -60.8 -36.2 35.1 31.5 51.1 108 108 A T H <> S+ 0 0 39 -3,-0.7 4,-2.8 2,-0.2 5,-0.2 0.907 110.4 52.4 -70.9 -43.8 37.1 28.6 49.6 109 109 A A H X S+ 0 0 4 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.915 111.2 48.1 -57.0 -42.6 33.8 26.9 48.7 110 110 A K H X S+ 0 0 88 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.923 110.9 49.7 -64.7 -43.9 32.7 30.1 47.0 111 111 A A H X S+ 0 0 47 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.910 111.7 48.6 -61.2 -44.1 36.0 30.4 45.1 112 112 A F H X S+ 0 0 5 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.862 109.3 53.9 -65.0 -36.9 35.8 26.8 44.0 113 113 A T H X S+ 0 0 2 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.923 108.9 48.0 -63.2 -44.5 32.2 27.4 42.8 114 114 A N H X S+ 0 0 95 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.888 111.8 51.2 -59.3 -43.0 33.3 30.3 40.7 115 115 A E H X S+ 0 0 55 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.921 113.4 43.1 -59.6 -49.7 36.1 28.2 39.3 116 116 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 3,-0.4 0.861 106.9 60.6 -71.0 -33.9 33.8 25.3 38.3 117 117 A E H < S+ 0 0 73 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.908 110.7 42.5 -56.6 -39.4 31.1 27.7 36.9 118 118 A N H < S+ 0 0 103 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.641 123.0 36.9 -78.6 -24.2 33.7 28.9 34.4 119 119 A R H < S+ 0 0 35 -4,-0.9 113,-0.3 -3,-0.4 -2,-0.2 0.725 85.0 101.7-102.7 -31.2 35.1 25.4 33.5 120 120 A C X - 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