==== 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 REPLICATION,OXIDOREDUCTASE 02-APR-04 1SYY . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE BETA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDIA TRACHOMATIS; . AUTHOR M.HOGBOM,P.STENMARK,N.VOEVODSKAYA,G.MCCLARTY,A.GRASLUND,P.NO . 317 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 76.3 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 . 2 0.6 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 . 1 0.3 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 . 9 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.3 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 . 13 4.1 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 3 0 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 . 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 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 0 237 0, 0.0 4,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 167.3 44.0 -4.1 -97.7 2 3 A A - 0 0 42 1,-0.1 3,-0.1 3,-0.1 4,-0.0 -0.375 360.0-164.3 -59.8 137.4 46.8 -5.9 -99.6 3 4 A D S S+ 0 0 157 1,-0.2 2,-0.5 2,-0.0 -1,-0.1 0.410 87.8 56.4-102.6 0.5 46.2 -9.7 -100.0 4 5 A I S > S- 0 0 119 1,-0.1 3,-1.3 2,-0.0 4,-0.4 -0.916 76.4-170.9-122.0 99.2 49.9 -10.2 -100.9 5 6 A L G > S+ 0 0 118 -2,-0.5 3,-1.2 1,-0.3 4,-0.3 0.845 78.3 59.0 -67.2 -30.7 51.5 -8.7 -97.9 6 7 A D G > S+ 0 0 100 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.726 86.8 80.3 -69.7 -17.7 55.0 -8.8 -99.1 7 8 A G G X S+ 0 0 32 -3,-1.3 3,-2.0 1,-0.3 -1,-0.3 0.830 78.0 69.4 -61.6 -28.3 54.0 -6.5 -102.0 8 9 A K G X S+ 0 0 85 -3,-1.2 3,-1.2 -4,-0.4 -1,-0.3 0.828 89.8 63.3 -61.3 -27.6 54.1 -3.5 -99.7 9 10 A Q G < S+ 0 0 141 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.648 93.5 64.9 -68.1 -13.8 57.9 -3.8 -99.6 10 11 A K G < + 0 0 133 -3,-2.0 16,-0.2 -4,-0.3 -1,-0.2 0.403 66.2 124.7 -91.2 -3.0 58.0 -3.2 -103.4 11 12 A R S < S- 0 0 182 -3,-1.2 2,-0.2 -4,-0.2 -3,-0.0 -0.427 72.4-103.7 -58.2 143.0 56.7 0.5 -103.4 12 13 A V - 0 0 23 19,-0.3 2,-0.5 14,-0.1 -1,-0.1 -0.447 24.8-138.0 -78.0 131.8 59.3 2.6 -105.2 13 14 A N >> - 0 0 90 -2,-0.2 3,-1.7 1,-0.1 4,-0.5 -0.789 12.3-137.4 -83.7 127.8 61.7 4.8 -103.1 14 15 A L G >4 S+ 0 0 72 -2,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.894 101.7 55.5 -51.3 -40.6 62.1 8.3 -104.7 15 16 A N G 34 S+ 0 0 110 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.652 97.4 60.9 -76.8 -9.7 65.9 8.2 -104.0 16 17 A S G <4 S+ 0 0 41 -3,-1.7 -1,-0.3 2,-0.0 -2,-0.2 0.611 81.5 103.4 -87.6 -10.3 66.5 5.0 -105.8 17 18 A K << + 0 0 6 -3,-1.5 2,-0.3 -4,-0.5 88,-0.1 -0.417 45.5 173.5 -76.5 146.3 65.3 6.4 -109.2 18 19 A R - 0 0 107 86,-0.5 4,-0.2 -2,-0.1 222,-0.1 -0.974 39.2-120.4-145.2 161.9 68.0 7.2 -111.8 19 20 A L S S+ 0 0 0 -2,-0.3 85,-1.2 220,-0.1 2,-0.3 0.819 93.3 19.4 -79.6 -35.1 67.9 8.3 -115.4 20 21 A V S S+ 0 0 5 83,-0.2 83,-0.1 84,-0.1 3,-0.1 -0.958 119.9 18.2-129.8 164.5 69.9 5.4 -116.8 21 22 A N S S+ 0 0 60 81,-0.5 2,-1.2 -2,-0.3 3,-0.2 0.715 74.1 145.2 53.9 29.4 70.9 1.9 -115.7 22 23 A C + 0 0 11 -4,-0.2 -1,-0.2 1,-0.2 -4,-0.1 -0.762 8.3 134.8 -97.5 93.3 68.2 1.8 -113.1 23 24 A N + 0 0 149 -2,-1.2 -1,-0.2 -3,-0.1 4,-0.1 0.454 52.9 75.6-120.5 3.0 67.2 -1.8 -113.1 24 25 A Q S S+ 0 0 183 -3,-0.2 2,-0.3 -8,-0.2 -1,-0.1 0.388 95.0 58.8 -90.4 0.3 67.0 -2.5 -109.4 25 26 A V S S- 0 0 26 -9,-0.1 2,-0.6 -13,-0.1 -13,-0.0 -0.955 97.9 -95.0-133.1 151.6 63.7 -0.6 -109.1 26 27 A D > - 0 0 74 -2,-0.3 3,-0.6 -16,-0.2 -2,-0.1 -0.480 34.6-175.6 -62.7 112.1 60.3 -1.0 -110.8 27 28 A V T 3 S+ 0 0 26 -2,-0.6 -1,-0.2 1,-0.2 78,-0.0 0.502 71.8 72.8 -96.4 5.8 60.4 1.3 -113.8 28 29 A N T 3 S+ 0 0 154 77,-0.0 2,-0.7 78,-0.0 -1,-0.2 0.525 79.6 81.9 -89.0 -15.2 56.7 0.6 -114.8 29 30 A Q < - 0 0 73 -3,-0.6 0, 0.0 1,-0.2 0, 0.0 -0.861 66.8-157.5 -93.8 127.4 55.2 2.6 -111.8 30 31 A L + 0 0 51 -2,-0.7 77,-0.2 76,-0.1 -1,-0.2 0.892 52.8 116.0 -67.5 -40.3 55.2 6.3 -112.6 31 32 A V + 0 0 87 1,-0.1 -19,-0.3 2,-0.1 2,-0.1 -0.563 53.7 34.9 -93.6 153.5 55.1 7.3 -109.0 32 33 A P S S- 0 0 46 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.547 85.3-143.7 -80.4 135.8 56.7 8.8 -107.0 33 34 A I + 0 0 48 1,-0.2 3,-0.2 -2,-0.1 -2,-0.1 -0.513 25.9 173.0 -69.2 136.0 57.9 11.2 -109.7 34 35 A K + 0 0 63 -2,-0.2 2,-1.7 1,-0.2 3,-0.2 0.767 68.0 56.8-104.8 -48.6 61.5 12.2 -109.2 35 36 A Y >> + 0 0 13 1,-0.2 4,-1.3 2,-0.1 3,-1.1 -0.604 60.7 173.1 -91.9 83.6 62.4 14.2 -112.3 36 37 A K H 3> S+ 0 0 117 -2,-1.7 4,-2.5 1,-0.3 5,-0.2 0.824 72.1 67.8 -63.1 -28.2 59.7 16.8 -112.2 37 38 A W H 3> S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.870 99.4 51.3 -60.7 -31.2 61.3 18.7 -115.1 38 39 A A H <> S+ 0 0 0 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.904 109.2 48.8 -70.4 -41.2 60.3 15.7 -117.3 39 40 A W H X S+ 0 0 53 -4,-1.3 4,-2.8 1,-0.2 -2,-0.2 0.892 111.5 51.2 -63.5 -40.4 56.7 15.8 -116.1 40 41 A E H X S+ 0 0 78 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.918 109.2 48.4 -65.5 -41.9 56.6 19.6 -116.7 41 42 A H H X S+ 0 0 21 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.877 111.1 53.1 -65.0 -34.4 57.9 19.3 -120.3 42 43 A Y H X S+ 0 0 58 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.951 111.2 45.1 -63.8 -47.4 55.2 16.5 -120.8 43 44 A L H X S+ 0 0 71 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.909 113.8 50.0 -63.5 -37.8 52.4 18.8 -119.5 44 45 A N H X S+ 0 0 82 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.880 110.5 49.4 -69.1 -39.0 53.7 21.7 -121.6 45 46 A G H >< S+ 0 0 0 -4,-2.4 3,-1.2 -5,-0.2 -1,-0.2 0.933 108.9 51.8 -63.9 -46.2 53.9 19.6 -124.7 46 47 A C H >< S+ 0 0 47 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.888 107.1 55.2 -57.0 -34.6 50.3 18.3 -124.2 47 48 A A H 3< S+ 0 0 82 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.685 100.5 60.5 -74.1 -18.4 49.1 21.9 -123.9 48 49 A N T << S+ 0 0 24 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.290 75.1 150.1 -91.1 13.0 50.7 22.7 -127.3 49 50 A N < + 0 0 86 -3,-1.4 2,-0.3 -4,-0.1 -3,-0.1 -0.112 12.5 152.8 -53.8 134.2 48.6 20.3 -129.2 50 51 A W - 0 0 12 171,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.964 34.2-139.5-153.8 162.3 47.8 21.2 -132.9 51 52 A L > - 0 0 86 -2,-0.3 3,-1.8 1,-0.1 4,-0.2 -0.996 19.0-133.8-129.1 136.7 47.0 19.5 -136.2 52 53 A P G > S+ 0 0 1 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.794 100.2 63.3 -57.0 -33.2 48.5 20.7 -139.5 53 54 A T G 3 S+ 0 0 72 1,-0.3 4,-0.1 -3,-0.1 72,-0.0 0.490 83.9 72.0 -80.9 1.4 45.3 20.6 -141.3 54 55 A E G < S+ 0 0 129 -3,-1.8 -1,-0.3 2,-0.1 0, 0.0 0.575 84.8 85.1 -77.4 -8.5 43.6 23.2 -139.2 55 56 A I S < S- 0 0 7 -3,-1.9 2,-0.1 -4,-0.2 159,-0.0 -0.808 86.3-125.2 -96.0 121.5 46.0 25.7 -141.0 56 57 A P - 0 0 98 0, 0.0 4,-0.1 0, 0.0 -2,-0.1 -0.397 23.4-174.2 -65.8 142.2 44.6 26.8 -144.3 57 58 A M > + 0 0 7 -4,-0.1 4,-2.5 1,-0.1 3,-0.3 0.372 55.5 102.3-112.7 1.0 46.8 26.4 -147.4 58 59 A G H > S+ 0 0 49 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.869 84.2 45.8 -55.0 -46.4 44.6 28.2 -150.0 59 60 A K H > S+ 0 0 156 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.857 114.4 49.7 -64.6 -35.3 46.6 31.4 -150.1 60 61 A D H > S+ 0 0 2 -3,-0.3 4,-3.0 2,-0.2 -2,-0.2 0.876 109.9 51.0 -68.3 -38.8 49.9 29.4 -150.3 61 62 A I H X S+ 0 0 53 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.927 110.5 48.5 -66.2 -41.6 48.5 27.2 -153.1 62 63 A E H X S+ 0 0 99 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.929 115.9 43.7 -68.4 -41.8 47.5 30.3 -155.1 63 64 A L H >< S+ 0 0 20 -4,-2.2 3,-1.0 1,-0.2 6,-0.4 0.954 112.5 51.7 -65.4 -44.5 50.9 31.9 -154.6 64 65 A W H 3< S+ 0 0 20 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.900 114.2 44.1 -61.0 -35.9 52.9 28.8 -155.2 65 66 A K H 3< S+ 0 0 140 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.538 101.8 82.1 -89.8 -5.2 51.1 28.2 -158.6 66 67 A S S << S- 0 0 21 -3,-1.0 3,-0.4 -4,-0.8 -3,-0.0 -0.199 90.6-114.4 -84.5 179.9 51.3 31.8 -159.7 67 68 A D S S+ 0 0 149 1,-0.2 -3,-0.1 -2,-0.1 -4,-0.1 0.224 91.3 100.3-102.0 23.5 54.3 33.3 -161.4 68 69 A R + 0 0 133 -5,-0.4 2,-0.4 2,-0.1 -1,-0.2 0.653 64.7 73.1 -86.0 -17.9 54.9 35.6 -158.4 69 70 A L S S- 0 0 11 -6,-0.4 2,-0.1 -3,-0.4 3,-0.0 -0.775 80.4-127.4 -91.6 145.1 57.6 33.6 -156.7 70 71 A S > - 0 0 53 -2,-0.4 4,-2.3 1,-0.1 3,-0.3 -0.401 25.0-110.2 -79.9 166.9 61.1 33.5 -158.1 71 72 A E H > S+ 0 0 143 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.893 121.3 56.0 -61.7 -35.7 63.0 30.3 -158.8 72 73 A D H > S+ 0 0 24 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.825 106.5 48.6 -66.8 -33.8 65.3 31.2 -155.9 73 74 A E H > S+ 0 0 14 -3,-0.3 4,-1.6 2,-0.2 3,-0.2 0.910 111.2 50.7 -73.6 -39.1 62.3 31.5 -153.5 74 75 A R H X S+ 0 0 41 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.876 104.4 57.8 -63.5 -37.5 60.9 28.2 -154.6 75 76 A R H X S+ 0 0 70 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.904 103.6 52.5 -60.3 -36.2 64.2 26.4 -154.1 76 77 A V H X S+ 0 0 1 -4,-1.1 4,-2.1 -3,-0.2 -1,-0.2 0.934 112.7 45.2 -66.2 -44.7 64.3 27.4 -150.4 77 78 A I H X S+ 0 0 1 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.952 114.8 47.0 -62.6 -46.6 60.9 26.0 -149.9 78 79 A L H X S+ 0 0 60 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.883 111.8 48.7 -67.5 -42.6 61.6 22.8 -151.8 79 80 A L H X S+ 0 0 17 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.921 113.1 48.0 -66.3 -39.2 65.0 22.1 -150.1 80 81 A N H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.3 5,-0.3 0.909 112.1 48.2 -67.8 -40.6 63.5 22.6 -146.6 81 82 A L H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.929 111.8 52.3 -62.8 -41.3 60.5 20.4 -147.3 82 83 A G H X S+ 0 0 0 -4,-2.4 4,-0.7 -5,-0.2 62,-0.3 0.907 115.2 39.7 -58.4 -43.9 63.0 17.8 -148.7 83 84 A F H >X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 3,-0.6 0.938 119.1 44.3 -73.1 -49.1 65.2 17.8 -145.6 84 85 A F H 3X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 5,-0.2 0.859 99.3 71.0 -67.6 -33.9 62.4 18.1 -143.0 85 86 A S H 3< S+ 0 0 0 -4,-2.4 4,-0.3 -5,-0.3 -1,-0.2 0.823 115.3 22.5 -54.4 -37.1 60.1 15.4 -144.5 86 87 A T H S+ 0 0 46 -4,-0.3 4,-2.9 -5,-0.2 5,-0.2 0.858 107.4 55.3 -62.8 -41.3 61.1 10.4 -139.0 90 91 A L H X S+ 0 0 28 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.917 112.3 43.9 -54.6 -47.9 64.8 10.0 -138.2 91 92 A V H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.943 115.0 47.2 -65.2 -48.7 64.2 11.8 -134.9 92 93 A G H X S+ 0 0 10 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.918 112.3 50.3 -60.6 -44.8 61.0 9.9 -134.0 93 94 A N H X S+ 0 0 95 -4,-2.9 4,-3.3 1,-0.2 5,-0.3 0.907 110.0 50.4 -60.8 -40.6 62.6 6.6 -134.8 94 95 A N H X>S+ 0 0 5 -4,-1.8 5,-2.3 -5,-0.2 4,-2.1 0.896 106.3 54.9 -65.9 -40.2 65.6 7.3 -132.6 95 96 A I H <>S+ 0 0 2 -4,-2.4 5,-3.2 3,-0.2 6,-0.2 0.954 118.5 34.9 -56.2 -48.4 63.5 8.3 -129.7 96 97 A V H <5S+ 0 0 82 -4,-1.9 5,-0.4 -5,-0.2 -2,-0.2 0.944 125.6 36.1 -71.5 -46.5 61.7 5.0 -129.8 97 98 A L H <5S+ 0 0 102 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.723 134.7 14.3 -84.5 -25.2 64.5 2.6 -130.9 98 99 A A T X5S+ 0 0 0 -4,-2.1 4,-0.9 -5,-0.3 -3,-0.2 0.740 125.9 39.6-114.1 -51.9 67.5 4.1 -129.1 99 100 A I H > - 0 0 1 -2,-1.6 4,-2.2 -86,-0.1 5,-0.2 -0.975 64.1-143.5-155.1 126.1 62.8 6.3 -115.7 106 107 A P H > S+ 0 0 17 0, 0.0 4,-2.1 0, 0.0 -76,-0.1 0.871 98.1 49.7 -66.8 -40.7 59.0 6.4 -116.2 107 108 A E H > S+ 0 0 0 2,-0.2 4,-1.6 -77,-0.2 5,-0.1 0.883 112.4 47.6 -69.2 -31.8 58.4 10.1 -116.1 108 109 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.909 112.6 51.6 -70.2 -37.9 61.2 10.8 -118.6 109 110 A R H X S+ 0 0 58 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.880 103.3 58.4 -64.7 -36.5 59.6 8.0 -120.8 110 111 A Q H X S+ 0 0 53 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.954 108.6 44.9 -56.8 -45.9 56.2 9.7 -120.4 111 112 A Y H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 3,-0.3 0.927 108.6 56.9 -63.2 -46.1 57.7 12.9 -122.0 112 113 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.857 102.9 55.3 -54.4 -39.7 59.5 10.8 -124.7 113 114 A L H X S+ 0 0 99 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.872 110.3 45.5 -60.7 -40.2 56.0 9.3 -125.8 114 115 A R H X S+ 0 0 32 -4,-1.5 4,-2.7 -3,-0.3 -2,-0.2 0.939 113.3 49.8 -67.6 -41.7 54.7 12.9 -126.2 115 116 A Q H X S+ 0 0 1 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.936 110.9 48.6 -63.0 -45.9 57.9 14.0 -128.2 116 117 A A H X S+ 0 0 18 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.909 111.3 50.2 -64.4 -40.2 57.7 10.9 -130.5 117 118 A F H X S+ 0 0 99 -4,-2.1 4,-2.2 1,-0.2 3,-0.2 0.923 108.2 53.7 -63.3 -39.3 54.0 11.6 -131.2 118 119 A E H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.870 105.1 53.7 -62.5 -34.3 54.9 15.3 -132.0 119 120 A E H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.871 105.9 53.1 -67.3 -32.0 57.4 14.1 -134.5 120 121 A A H X S+ 0 0 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