==== 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 11-AUG-05 2ANI . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE BETA SUBUNIT . SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDIA TRACHOMATIS; . AUTHOR M.HOGBOM,P.STENMARK,P.NORDLUND . 317 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 75.1 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 . 0 0.0 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 . 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 . 10 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 56.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.5 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 2 1 0 0 1 0 0 0 2 0 1 1 0 0 1 0 0 0 0 0 0 1 0 1 1 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A Q 0 0 229 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.0 44.1 -4.1 -97.1 2 3 A A - 0 0 56 1,-0.2 3,-0.2 2,-0.1 4,-0.0 -0.087 360.0-161.3 -43.0 134.4 46.8 -5.7 -99.2 3 4 A D S S+ 0 0 155 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.321 89.8 56.7-104.4 6.6 46.2 -9.4 -99.6 4 5 A I S > S- 0 0 119 1,-0.1 3,-1.3 2,-0.0 4,-0.4 -0.854 75.3-172.9-127.8 89.7 49.9 -9.9 -100.6 5 6 A L G > S+ 0 0 130 -2,-0.4 3,-1.3 1,-0.3 4,-0.2 0.870 79.4 59.3 -55.0 -39.7 51.5 -8.4 -97.4 6 7 A D G > S+ 0 0 88 1,-0.2 3,-2.0 2,-0.2 4,-0.3 0.790 88.3 77.3 -62.9 -25.3 55.0 -8.6 -98.8 7 8 A G G X S+ 0 0 31 -3,-1.3 3,-2.5 1,-0.3 -1,-0.2 0.811 77.1 72.3 -54.5 -32.5 53.9 -6.4 -101.7 8 9 A K G X S+ 0 0 146 -3,-1.3 3,-1.0 -4,-0.4 -1,-0.3 0.723 87.5 64.4 -56.5 -22.8 54.0 -3.3 -99.4 9 10 A Q G < S+ 0 0 157 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.642 91.7 65.9 -76.8 -13.6 57.8 -3.5 -99.5 10 11 A K G < + 0 0 123 -3,-2.5 16,-0.3 -4,-0.3 -1,-0.2 0.424 67.3 121.4 -87.6 -0.8 57.8 -2.8 -103.2 11 12 A R S < S- 0 0 178 -3,-1.0 2,-0.3 -4,-0.2 -3,-0.0 -0.439 74.2-104.6 -62.8 140.3 56.4 0.7 -102.9 12 13 A V - 0 0 17 19,-0.3 2,-0.6 14,-0.1 -1,-0.1 -0.494 23.5-139.4 -75.6 131.8 59.0 2.9 -104.6 13 14 A N >> - 0 0 94 -2,-0.3 3,-2.2 1,-0.2 4,-0.6 -0.791 12.2-138.7 -89.2 123.9 61.4 5.1 -102.5 14 15 A L G >4 S+ 0 0 67 -2,-0.6 3,-1.5 1,-0.3 -1,-0.2 0.888 100.1 55.3 -45.1 -48.1 61.8 8.5 -104.1 15 16 A N G 34 S+ 0 0 112 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.519 98.5 61.0 -72.7 -2.9 65.5 8.6 -103.3 16 17 A S G <4 S+ 0 0 14 -3,-2.2 -1,-0.3 2,-0.0 8,-0.2 0.598 80.7 106.2 -95.6 -10.8 66.2 5.3 -105.1 17 18 A K << + 0 0 6 -3,-1.5 2,-0.3 -4,-0.6 88,-0.1 -0.430 44.7 174.0 -72.4 141.3 65.0 6.7 -108.5 18 19 A R - 0 0 106 86,-0.5 4,-0.2 -2,-0.1 222,-0.1 -0.957 39.0-122.2-141.9 156.9 67.7 7.5 -111.1 19 20 A L S S+ 0 0 0 -2,-0.3 85,-1.1 220,-0.1 2,-0.3 0.867 94.0 21.0 -72.0 -37.5 67.6 8.5 -114.8 20 21 A V S S+ 0 0 4 83,-0.2 83,-0.1 1,-0.1 3,-0.1 -0.874 120.3 16.7-129.7 164.7 69.7 5.6 -116.1 21 22 A N S S+ 0 0 53 81,-0.5 2,-1.2 -2,-0.3 -1,-0.1 0.676 74.1 149.3 53.2 25.6 70.6 2.1 -114.9 22 23 A C + 0 0 12 -4,-0.2 -1,-0.2 1,-0.2 5,-0.1 -0.698 6.4 136.6 -93.9 92.3 67.8 2.1 -112.3 23 24 A N + 0 0 140 -2,-1.2 -1,-0.2 1,-0.1 -2,-0.1 0.192 55.6 78.0-118.5 14.0 66.8 -1.5 -112.0 24 25 A Q S S+ 0 0 152 -8,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.587 93.4 53.9 -95.3 -14.3 66.5 -1.7 -108.3 25 26 A V S S- 0 0 29 -9,-0.1 2,-0.7 -13,-0.1 -14,-0.1 -0.904 100.0 -95.0-122.8 149.6 63.2 0.1 -108.3 26 27 A D > - 0 0 63 -2,-0.3 3,-1.0 -16,-0.3 -14,-0.1 -0.473 33.2-167.5 -64.3 106.4 59.9 -0.7 -110.1 27 28 A V T 3 S+ 0 0 37 -2,-0.7 -1,-0.2 1,-0.2 -4,-0.0 0.647 77.9 70.0 -70.6 -17.8 60.1 1.4 -113.3 28 29 A N T 3 S+ 0 0 141 77,-0.1 2,-0.7 78,-0.0 -1,-0.2 0.601 80.7 83.5 -75.2 -17.6 56.4 0.8 -114.1 29 30 A Q < - 0 0 68 -3,-1.0 -1,-0.0 1,-0.2 0, 0.0 -0.825 63.7-159.5 -94.0 119.5 55.1 2.8 -111.2 30 31 A L + 0 0 52 -2,-0.7 77,-0.3 76,-0.1 -1,-0.2 0.889 52.6 116.7 -59.8 -41.6 54.9 6.5 -112.0 31 32 A V + 0 0 89 1,-0.1 -19,-0.3 2,-0.1 2,-0.1 -0.509 54.9 32.9 -93.4 153.5 54.8 7.6 -108.3 32 33 A P S S- 0 0 49 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.579 85.6-142.5 -82.2 141.9 56.4 9.1 -106.4 33 34 A I + 0 0 49 1,-0.2 3,-0.2 -2,-0.1 -2,-0.1 -0.479 26.2 172.3 -69.4 133.1 57.6 11.5 -109.1 34 35 A K + 0 0 65 -2,-0.2 2,-1.6 1,-0.2 3,-0.2 0.782 66.6 57.9-108.2 -48.1 61.1 12.5 -108.7 35 36 A Y >> + 0 0 13 1,-0.2 4,-1.3 2,-0.1 3,-0.9 -0.636 60.9 173.6 -88.7 87.0 62.1 14.4 -111.8 36 37 A K H 3> S+ 0 0 120 -2,-1.6 4,-2.6 1,-0.3 -1,-0.2 0.828 73.1 66.0 -65.7 -29.9 59.4 17.1 -111.7 37 38 A W H 3> S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.878 100.9 50.9 -60.1 -32.0 61.0 18.9 -114.6 38 39 A A H <> S+ 0 0 0 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.931 109.5 48.4 -71.6 -41.1 60.0 15.9 -116.8 39 40 A W H X S+ 0 0 51 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.900 111.5 52.0 -63.5 -37.9 56.5 15.9 -115.6 40 41 A E H X S+ 0 0 83 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.926 108.2 49.5 -65.5 -44.6 56.4 19.7 -116.3 41 42 A H H X S+ 0 0 21 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.901 111.5 52.0 -59.9 -37.1 57.7 19.3 -119.8 42 43 A Y H X S+ 0 0 57 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.963 111.2 44.1 -62.9 -54.0 55.0 16.6 -120.3 43 44 A L H X S+ 0 0 71 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.903 114.4 50.8 -58.5 -41.3 52.1 18.8 -119.1 44 45 A N H X S+ 0 0 75 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.901 110.9 48.7 -65.0 -40.8 53.5 21.8 -121.2 45 46 A G H >< S+ 0 0 0 -4,-2.6 3,-0.8 -5,-0.2 -2,-0.2 0.933 110.6 50.2 -62.8 -46.7 53.6 19.5 -124.3 46 47 A C H >< S+ 0 0 46 -4,-2.7 3,-1.3 1,-0.3 -2,-0.2 0.873 107.7 54.5 -57.9 -39.8 50.1 18.3 -123.7 47 48 A A H 3< S+ 0 0 81 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.728 101.7 60.5 -66.8 -22.2 48.9 21.9 -123.3 48 49 A N T << S+ 0 0 23 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.288 74.8 149.4 -89.7 10.5 50.5 22.7 -126.7 49 50 A N < + 0 0 87 -3,-1.3 2,-0.3 -4,-0.1 -3,-0.1 -0.118 15.9 161.4 -50.5 136.6 48.3 20.2 -128.6 50 51 A W - 0 0 13 171,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.984 34.0-134.1-154.8 158.5 47.5 21.2 -132.2 51 52 A L > - 0 0 71 -2,-0.3 3,-2.2 1,-0.1 4,-0.3 -0.979 14.4-142.2-122.0 121.9 46.4 19.7 -135.5 52 53 A P G > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.871 99.3 57.3 -47.7 -45.7 48.2 20.6 -138.7 53 54 A T G 3 S+ 0 0 73 1,-0.3 4,-0.1 -3,-0.1 72,-0.0 0.462 87.1 74.3 -75.6 1.9 44.9 20.6 -140.7 54 55 A E G < S+ 0 0 140 -3,-2.2 -1,-0.3 2,-0.1 0, 0.0 0.566 83.0 85.2 -82.0 -9.5 43.3 23.2 -138.5 55 56 A I S < S- 0 0 7 -3,-1.8 2,-0.1 -4,-0.3 159,-0.0 -0.825 87.5-125.1 -96.2 119.7 45.7 25.6 -140.3 56 57 A P - 0 0 98 0, 0.0 4,-0.1 0, 0.0 3,-0.1 -0.320 24.3-175.7 -63.8 137.0 44.2 26.9 -143.6 57 58 A M > + 0 0 7 -4,-0.1 4,-2.5 1,-0.1 5,-0.2 0.364 54.6 104.4-112.5 3.3 46.4 26.4 -146.7 58 59 A G H > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.895 83.8 43.2 -52.3 -47.5 44.1 28.2 -149.2 59 60 A K H > S+ 0 0 157 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.871 114.0 53.0 -67.9 -34.3 46.2 31.4 -149.5 60 61 A D H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.867 108.4 49.7 -66.4 -39.5 49.4 29.3 -149.7 61 62 A I H X S+ 0 0 52 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.927 111.3 48.6 -65.7 -43.2 48.1 27.2 -152.5 62 63 A E H X S+ 0 0 106 -4,-2.0 4,-0.8 -5,-0.2 -2,-0.2 0.957 116.2 43.1 -62.4 -48.5 47.1 30.3 -154.5 63 64 A L H >< S+ 0 0 16 -4,-2.5 3,-1.2 1,-0.2 5,-0.4 0.945 113.6 51.2 -61.8 -51.9 50.5 31.9 -153.9 64 65 A W H 3< S+ 0 0 22 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.885 113.8 43.9 -55.0 -41.4 52.4 28.7 -154.6 65 66 A K H 3< S+ 0 0 137 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.516 102.9 80.2 -85.2 -3.5 50.6 28.1 -157.9 66 67 A S S << S- 0 0 27 -3,-1.2 3,-0.3 -4,-0.8 -3,-0.1 -0.164 91.0-110.9 -87.3-171.9 50.8 31.7 -159.1 67 68 A D S S+ 0 0 147 1,-0.2 -3,-0.1 -2,-0.1 -4,-0.1 0.114 92.5 97.4-106.8 19.0 53.8 33.3 -160.7 68 69 A R + 0 0 146 -5,-0.4 2,-0.4 2,-0.1 -1,-0.2 0.577 65.4 76.3 -87.0 -10.9 54.5 35.5 -157.7 69 70 A L S S- 0 0 11 -6,-0.3 2,-0.2 -3,-0.3 3,-0.0 -0.792 79.4-127.7 -98.3 145.9 57.2 33.4 -156.1 70 71 A S > - 0 0 51 -2,-0.4 4,-2.6 1,-0.1 3,-0.4 -0.533 23.9-112.7 -85.0 161.8 60.7 33.3 -157.4 71 72 A E H > S+ 0 0 158 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.868 120.7 55.8 -60.4 -36.6 62.4 30.0 -158.2 72 73 A D H > S+ 0 0 23 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.843 106.8 49.4 -66.4 -32.6 64.8 30.8 -155.3 73 74 A E H > S+ 0 0 15 -3,-0.4 4,-1.7 2,-0.2 3,-0.2 0.949 110.7 48.9 -72.7 -44.7 61.8 31.2 -153.0 74 75 A R H X S+ 0 0 57 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.888 106.2 59.3 -56.9 -39.7 60.3 27.9 -154.1 75 76 A R H X S+ 0 0 59 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.908 102.6 51.4 -56.6 -43.5 63.7 26.3 -153.6 76 77 A V H X S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.2 5,-0.2 0.930 112.1 46.4 -62.2 -43.6 63.8 27.2 -149.9 77 78 A I H X S+ 0 0 1 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.942 114.6 46.9 -64.2 -44.8 60.4 25.8 -149.3 78 79 A L H X S+ 0 0 59 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.885 111.9 49.2 -65.4 -42.5 61.1 22.6 -151.2 79 80 A L H X S+ 0 0 18 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.915 113.0 46.6 -65.2 -43.2 64.5 21.9 -149.5 80 81 A N H X S+ 0 0 0 -4,-2.0 4,-3.0 -5,-0.3 5,-0.3 0.898 111.8 49.4 -67.9 -41.6 63.3 22.4 -146.0 81 82 A L H X S+ 0 0 2 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.922 110.6 54.0 -62.0 -38.1 60.2 20.2 -146.5 82 83 A G H X S+ 0 0 0 -4,-2.0 4,-0.5 -5,-0.2 62,-0.4 0.921 114.9 38.0 -60.8 -44.8 62.6 17.7 -148.0 83 84 A F H >X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.1 3,-0.9 0.954 119.1 45.5 -72.3 -50.4 64.8 17.7 -144.9 84 85 A F H 3X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 5,-0.2 0.871 98.5 73.1 -63.8 -33.6 62.1 18.0 -142.2 85 86 A S H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.3 4,-0.2 0.774 114.6 20.1 -52.8 -34.7 59.9 15.4 -143.8 86 87 A T H S+ 0 0 45 -4,-0.2 4,-2.7 -5,-0.2 5,-0.3 0.891 109.2 52.7 -65.6 -41.3 61.0 10.0 -138.3 90 91 A L H X S+ 0 0 28 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.927 114.3 42.4 -58.5 -47.6 64.7 9.8 -137.5 91 92 A V H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.952 115.7 47.9 -65.1 -49.9 64.1 11.6 -134.2 92 93 A G H X S+ 0 0 11 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.911 112.6 48.9 -58.5 -43.5 60.9 9.7 -133.3 93 94 A N H X S+ 0 0 94 -4,-2.7 4,-3.1 -5,-0.2 5,-0.3 0.872 110.9 51.4 -66.6 -36.1 62.5 6.3 -134.1 94 95 A N H X>S+ 0 0 3 -4,-1.7 4,-2.3 -5,-0.3 5,-2.2 0.917 106.9 52.1 -67.4 -44.6 65.5 7.2 -132.0 95 96 A I H <>S+ 0 0 2 -4,-2.6 5,-3.1 3,-0.2 6,-0.2 0.952 120.0 36.3 -52.5 -48.9 63.4 8.2 -129.0 96 97 A V H <5S+ 0 0 81 -4,-2.0 5,-0.4 -5,-0.2 -2,-0.2 0.952 124.9 35.8 -70.9 -52.8 61.6 4.9 -129.2 97 98 A L H <5S+ 0 0 105 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.658 134.7 14.8 -80.2 -18.3 64.4 2.5 -130.3 98 99 A A T X5S+ 0 0 0 -4,-2.3 4,-0.7 -5,-0.3 -3,-0.2 0.747 125.2 37.8-124.0 -46.4 67.3 4.0 -128.4 99 100 A I H >> - 0 0 1 -2,-1.8 4,-2.2 1,-0.1 5,-0.2 -0.935 64.6-144.8-153.5 124.0 62.5 6.4 -115.0 106 107 A P H > S+ 0 0 17 0, 0.0 4,-2.1 0, 0.0 -76,-0.1 0.867 97.7 49.2 -63.6 -39.6 58.7 6.6 -115.6 107 108 A E H > S+ 0 0 0 -77,-0.3 4,-1.6 2,-0.2 5,-0.1 0.890 112.5 49.0 -70.0 -32.6 58.1 10.3 -115.5 108 109 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.928 111.8 50.2 -67.7 -40.4 60.9 10.9 -118.0 109 110 A R H X S+ 0 0 48 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.843 102.8 60.7 -64.0 -35.4 59.4 8.1 -120.2 110 111 A Q H X S+ 0 0 59 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.937 108.8 44.2 -55.4 -46.5 55.9 9.9 -119.9 111 112 A Y H X S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.2 3,-0.4 0.941 107.1 57.5 -66.1 -43.8 57.5 12.9 -121.5 112 113 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.863 104.8 54.0 -54.4 -35.0 59.3 10.8 -124.2 113 114 A L H X S+ 0 0 93 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.874 110.0 45.7 -68.7 -37.7 55.9 9.4 -125.2 114 115 A R H X S+ 0 0 29 -4,-1.4 4,-2.1 -3,-0.4 -2,-0.2 0.910 114.1 50.5 -68.6 -40.5 54.5 12.9 -125.7 115 116 A Q H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.927 110.5 46.9 -65.9 -45.3 57.7 13.9 -127.6 116 117 A A H X S+ 0 0 21 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.880 111.6 51.0 -65.5 -41.4 57.6 11.0 -130.0 117 118 A F H X S+ 0 0 100 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.892 106.5 55.5 -62.8 -39.2 53.9 11.5 -130.7 118 119 A E H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.851 103.0 55.5 -63.0 -29.7 54.6 15.2 -131.4 119 120 A E H X S+ 0 0 2 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.868 105.9 52.2 -68.6 -35.1 57.2 14.1 -134.0 120 121 A A H X S+ 0 0 53 -4,-1.3 4,-2.3 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