==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 21-AUG-12 4GPR . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTAMOEBA HISTOLYTICA; . AUTHOR D.E.BOSCH,D.P.SIDEROVSKI . 150 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8702.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 97 64.7 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 . 25 16.7 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 7 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 0 1 0 0 0 1 0 1 1 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 . 3 0 0 1 1 0 1 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 1 0 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 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 A > 0 0 107 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -39.8 -8.2 6.8 -18.1 2 0 A A H > + 0 0 78 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.805 360.0 39.7 -66.8 -49.8 -12.0 7.2 -17.7 3 1 A M H > S+ 0 0 148 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.895 117.8 52.9 -67.9 -36.7 -13.4 4.4 -15.6 4 2 A A H > S+ 0 0 4 56,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.925 108.6 48.7 -61.0 -47.1 -10.3 4.6 -13.4 5 3 A M H X S+ 0 0 84 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.923 110.3 50.6 -64.0 -39.4 -10.8 8.3 -12.8 6 4 A R H X S+ 0 0 172 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.904 111.6 48.7 -67.4 -36.7 -14.4 7.9 -11.9 7 5 A R H X S+ 0 0 49 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.907 112.0 47.4 -66.4 -42.8 -13.6 5.2 -9.4 8 6 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.905 110.5 52.6 -68.4 -36.8 -10.8 7.2 -7.8 9 7 A Q H X S+ 0 0 82 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.904 109.2 50.7 -60.9 -40.9 -13.1 10.3 -7.5 10 8 A K H X S+ 0 0 99 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.932 110.1 48.6 -62.8 -47.3 -15.7 8.1 -5.9 11 9 A E H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.873 108.9 53.9 -60.3 -38.5 -13.2 6.8 -3.4 12 10 A L H X S+ 0 0 48 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.895 107.5 50.2 -64.5 -37.6 -12.0 10.3 -2.6 13 11 A R H X S+ 0 0 139 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.898 109.7 52.1 -62.3 -38.2 -15.6 11.4 -1.9 14 12 A E H X S+ 0 0 74 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.869 106.2 52.4 -70.8 -34.3 -15.9 8.4 0.4 15 13 A I H < S+ 0 0 16 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.907 114.7 43.6 -62.8 -41.3 -12.7 9.5 2.3 16 14 A Q H < S+ 0 0 154 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.906 125.1 33.0 -66.3 -42.8 -14.2 12.9 2.8 17 15 A Q H < S+ 0 0 147 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.794 138.6 5.2 -89.5 -31.2 -17.7 11.6 3.7 18 16 A D S < S+ 0 0 132 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 -0.434 77.0 177.3-156.3 66.4 -17.0 8.3 5.6 19 17 A P - 0 0 56 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 -0.285 40.9 -94.3 -74.3 162.4 -13.3 7.7 6.1 20 18 A P > - 0 0 15 0, 0.0 3,-1.3 0, 0.0 83,-0.0 -0.483 58.4 -92.7 -66.4 146.9 -11.9 4.7 8.0 21 19 A C T 3 S+ 0 0 110 1,-0.2 3,-0.1 -2,-0.1 -3,-0.0 -0.317 108.0 14.2 -63.2 146.8 -11.2 5.8 11.6 22 20 A N T 3 S+ 0 0 109 1,-0.2 18,-1.6 17,-0.1 2,-0.3 0.702 108.8 103.7 65.5 21.3 -7.8 7.1 12.3 23 21 A C E < -A 39 0A 21 -3,-1.3 2,-0.3 16,-0.2 16,-0.2 -0.953 43.1-178.3-130.9 154.6 -6.9 7.5 8.6 24 22 A S E +A 38 0A 61 14,-1.7 14,-3.0 -2,-0.3 2,-0.3 -0.975 9.7 166.6-143.8 157.8 -6.7 10.3 6.1 25 23 A A E +A 37 0A 17 -2,-0.3 12,-0.2 12,-0.3 -2,-0.0 -0.951 5.2 142.0-166.5 147.7 -5.9 10.3 2.4 26 24 A G E -A 36 0A 20 10,-1.8 10,-2.3 -2,-0.3 -2,-0.0 -0.948 51.0 -60.6-177.2 169.4 -6.0 12.5 -0.7 27 25 A P E -A 35 0A 44 0, 0.0 8,-0.3 0, 0.0 5,-0.1 -0.197 36.9-133.8 -59.8 144.0 -4.2 13.5 -3.9 28 26 A V S S- 0 0 84 6,-2.7 7,-0.1 3,-0.5 2,-0.1 0.934 79.5 -37.9 -60.4 -48.0 -0.7 15.0 -3.7 29 27 A G S S- 0 0 48 5,-0.4 5,-0.1 2,-0.3 0, 0.0 -0.248 110.0 -28.9-147.5-124.9 -1.6 17.9 -6.1 30 28 A D S S+ 0 0 179 -2,-0.1 2,-0.8 1,-0.1 3,-0.1 0.364 107.8 92.7 -93.4 8.6 -3.7 17.9 -9.2 31 29 A D > - 0 0 87 3,-0.2 3,-2.0 1,-0.1 -3,-0.5 -0.850 55.6-166.3-104.0 106.6 -3.1 14.3 -10.2 32 30 A I T 3 S+ 0 0 21 -2,-0.8 -1,-0.1 1,-0.3 26,-0.1 0.664 84.7 66.9 -68.2 -9.6 -5.9 12.1 -8.7 33 31 A F T 3 S+ 0 0 39 1,-0.1 25,-2.7 24,-0.1 2,-0.5 0.520 96.0 63.9 -84.5 -1.2 -3.8 8.9 -9.5 34 32 A H E < + B 0 57A 52 -3,-2.0 -6,-2.7 23,-0.2 -5,-0.4 -0.958 67.2 165.1-131.1 114.1 -1.2 10.0 -6.9 35 33 A W E -AB 27 56A 0 21,-2.6 21,-2.6 -2,-0.5 2,-0.4 -0.832 30.8-143.0-123.9 157.7 -2.1 10.3 -3.1 36 34 A T E -AB 26 55A 47 -10,-2.3 -10,-1.8 -2,-0.3 2,-0.3 -0.977 27.7-176.1-109.8 137.5 -0.6 10.5 0.3 37 35 A A E -AB 25 54A 0 17,-2.7 17,-3.0 -2,-0.4 2,-0.4 -0.888 11.1-153.3-126.5 159.2 -2.3 8.7 3.1 38 36 A T E -AB 24 53A 17 -14,-3.0 -14,-1.7 -2,-0.3 2,-0.4 -0.993 7.1-173.8-127.0 148.1 -1.9 8.4 6.8 39 37 A I E -AB 23 52A 1 13,-2.2 13,-3.0 -2,-0.4 2,-0.4 -0.987 23.1-131.4-128.0 145.9 -2.7 5.8 9.4 40 38 A T E - B 0 51A 42 -18,-1.6 11,-0.2 -2,-0.4 3,-0.1 -0.779 40.7 -96.4 -88.9 141.7 -2.3 6.1 13.1 41 39 A G - 0 0 1 9,-2.6 8,-0.8 -2,-0.4 -1,-0.1 -0.299 50.2 -99.4 -55.8 139.8 -0.6 3.2 14.8 42 40 A P - 0 0 21 0, 0.0 3,-0.4 0, 0.0 5,-0.2 -0.262 40.0-106.1 -64.0 143.4 -3.2 0.7 16.1 43 41 A D S S+ 0 0 116 1,-0.2 4,-0.1 5,-0.1 -3,-0.0 -0.325 102.7 28.9 -66.2 156.4 -3.9 0.9 19.9 44 42 A D S S+ 0 0 150 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.935 104.1 96.3 57.2 46.5 -2.4 -1.9 22.0 45 43 A S S > S- 0 0 14 -3,-0.4 3,-1.7 -4,-0.1 -1,-0.2 -0.952 91.9-100.5-149.6 168.5 0.5 -2.5 19.6 46 44 A P T 3 S+ 0 0 9 0, 0.0 98,-0.2 0, 0.0 -5,-0.1 0.679 121.4 57.8 -67.8 -11.5 4.2 -1.2 19.5 47 45 A Y T > S+ 0 0 0 -5,-0.2 3,-2.0 65,-0.1 -6,-0.4 0.413 75.2 135.4 -97.4 2.7 3.1 1.3 16.9 48 46 A Q T < S+ 0 0 99 -3,-1.7 -5,-0.1 1,-0.2 3,-0.1 -0.125 71.4 16.8 -56.6 139.1 0.4 3.0 19.1 49 47 A G T 3 S+ 0 0 63 -8,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.244 96.8 122.9 86.9 -18.3 0.5 6.8 19.0 50 48 A G < - 0 0 3 -3,-2.0 -9,-2.6 -8,-0.1 2,-0.5 -0.412 56.1-140.6 -75.4 153.7 2.6 6.9 15.8 51 49 A L E -B 40 0A 33 97,-2.9 2,-0.6 -11,-0.2 -11,-0.2 -0.980 19.6-161.8-114.6 113.9 1.5 8.7 12.6 52 50 A F E -B 39 0A 1 -13,-3.0 -13,-2.2 -2,-0.5 2,-0.3 -0.890 3.9-151.1-105.5 121.8 2.5 6.7 9.6 53 51 A F E -B 38 0A 76 -2,-0.6 19,-3.3 -15,-0.2 20,-1.5 -0.702 13.7-167.5 -92.3 134.8 2.6 8.3 6.1 54 52 A L E -BC 37 71A 0 -17,-3.0 -17,-2.7 -2,-0.3 2,-0.5 -0.948 16.0-139.1-125.1 145.5 2.0 6.2 3.0 55 53 A D E -BC 36 70A 34 15,-3.1 15,-2.1 -2,-0.4 2,-0.5 -0.894 21.0-164.4-102.7 130.9 2.6 6.9 -0.7 56 54 A V E -BC 35 69A 0 -21,-2.6 -21,-2.6 -2,-0.5 2,-0.6 -0.968 11.4-177.9-124.4 120.1 -0.2 5.6 -3.0 57 55 A H E -BC 34 68A 81 11,-2.6 11,-2.7 -2,-0.5 -23,-0.2 -0.934 14.0-155.8-116.4 108.9 0.1 5.2 -6.8 58 56 A F - 0 0 12 -25,-2.7 8,-0.1 -2,-0.6 2,-0.1 -0.638 20.1-122.8 -80.0 138.1 -3.1 4.1 -8.6 59 57 A P > - 0 0 32 0, 0.0 3,-1.8 0, 0.0 6,-0.1 -0.318 24.0-107.2 -75.1 163.7 -2.6 2.3 -11.9 60 58 A V T 3 S+ 0 0 114 1,-0.3 -56,-0.3 3,-0.1 -55,-0.1 0.761 119.9 45.8 -64.0 -25.9 -4.1 3.6 -15.1 61 59 A D T > S- 0 0 52 -57,-0.1 3,-2.5 -58,-0.1 -1,-0.3 0.030 93.4-179.7-109.0 24.5 -6.6 0.7 -15.1 62 60 A Y T < + 0 0 3 -3,-1.8 -55,-0.2 1,-0.3 -54,-0.1 -0.384 60.7 32.6 -51.7 140.4 -7.6 0.9 -11.4 63 61 A P T 3 S+ 0 0 15 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 -0.878 111.5 66.5 -95.9 24.5 -9.6 -0.9 -9.9 64 62 A F S < S+ 0 0 157 -3,-2.5 2,-0.3 -5,-0.1 -2,-0.2 0.676 112.3 31.9 -81.1 -16.5 -8.6 -3.9 -12.1 65 63 A K S S- 0 0 117 -4,-0.2 31,-0.1 -6,-0.1 27,-0.1 -0.926 97.8 -97.5-131.0 158.8 -5.1 -3.8 -10.6 66 64 A A - 0 0 23 -2,-0.3 2,-0.1 26,-0.1 25,-0.1 -0.391 34.7-109.5 -73.5 150.2 -4.0 -2.8 -7.1 67 65 A P - 0 0 2 0, 0.0 2,-0.6 0, 0.0 -9,-0.2 -0.487 33.9-115.5 -65.7 149.0 -2.7 0.6 -6.1 68 66 A R E -C 57 0A 151 -11,-2.7 -11,-2.6 -2,-0.1 2,-0.5 -0.834 40.5-175.2 -84.4 121.7 1.0 0.5 -5.2 69 67 A V E +C 56 0A 7 -2,-0.6 17,-0.5 -13,-0.2 2,-0.3 -0.981 8.8 165.1-126.5 124.7 1.2 1.4 -1.6 70 68 A T E -CD 55 85A 14 -15,-2.1 -15,-3.1 -2,-0.5 2,-0.3 -0.958 36.5-106.3-134.5 155.9 4.4 2.0 0.3 71 69 A F E -C 54 0A 8 13,-2.6 -17,-0.3 -2,-0.3 4,-0.1 -0.588 19.6-175.7 -78.7 138.5 5.4 3.5 3.7 72 70 A M S S+ 0 0 102 -19,-3.3 2,-0.4 -2,-0.3 -18,-0.2 0.548 72.5 77.8 -98.0 -19.2 7.2 6.9 3.7 73 71 A T S S- 0 0 16 -20,-1.5 2,-0.2 11,-0.1 75,-0.1 -0.733 93.5-112.9 -86.2 139.1 7.6 6.5 7.5 74 72 A K + 0 0 89 73,-0.4 2,-0.3 -2,-0.4 73,-0.1 -0.526 44.4 177.5 -67.9 136.2 10.3 4.2 8.8 75 73 A V - 0 0 9 6,-0.2 2,-0.7 -2,-0.2 9,-0.1 -0.998 29.5-134.4-148.7 140.6 8.7 1.3 10.5 76 74 A Y + 0 0 28 -2,-0.3 5,-0.1 64,-0.2 68,-0.1 -0.856 52.8 123.6-100.0 108.5 10.1 -1.9 12.2 77 75 A H B > -E 80 0B 0 -2,-0.7 3,-1.4 3,-0.5 49,-0.2 -0.965 64.5-122.0-166.5 141.4 8.1 -5.0 11.0 78 76 A P T 3 S+ 0 0 0 0, 0.0 44,-2.7 0, 0.0 43,-2.1 0.744 112.1 47.1 -68.2 -18.1 8.9 -8.3 9.4 79 77 A N T 3 S+ 0 0 12 41,-0.2 8,-2.9 42,-0.2 2,-0.4 0.241 103.7 65.4-109.7 17.6 6.5 -7.6 6.4 80 78 A I B < S-EF 77 86B 2 -3,-1.4 -3,-0.5 6,-0.2 6,-0.2 -0.994 74.1-149.5-134.5 127.2 7.7 -4.0 5.6 81 79 A N > - 0 0 40 4,-2.1 3,-2.0 -2,-0.4 -6,-0.2 -0.193 34.1 -89.4 -96.2-173.8 11.2 -3.4 4.3 82 80 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.1 2,-0.1 40,-0.0 0.686 127.4 53.0 -71.1 -16.9 13.7 -0.5 4.6 83 81 A N T 3 S- 0 0 115 2,-0.1 -1,-0.3 -9,-0.0 -9,-0.0 0.295 120.3-108.5 -93.2 4.5 12.2 1.0 1.4 84 82 A G < + 0 0 5 -3,-2.0 -13,-2.6 1,-0.3 2,-0.1 0.563 65.0 155.0 77.6 9.8 8.7 0.9 2.9 85 83 A V B -D 70 0A 45 -15,-0.2 -4,-2.1 1,-0.0 2,-0.5 -0.481 33.2-144.0 -68.1 135.1 7.6 -1.9 0.5 86 84 A I B -F 80 0B 15 -17,-0.5 2,-0.9 -6,-0.2 -6,-0.2 -0.927 8.2-148.4-109.5 129.4 4.7 -3.9 2.1 87 85 A C + 0 0 57 -8,-2.9 2,-0.4 -2,-0.5 34,-0.1 -0.821 42.2 143.6 -95.2 103.3 4.2 -7.6 1.8 88 86 A L > - 0 0 22 -2,-0.9 3,-2.1 1,-0.1 4,-0.3 -0.963 50.0-137.4-147.0 119.3 0.4 -8.0 1.8 89 87 A D G > >S+ 0 0 92 -2,-0.4 5,-2.3 1,-0.3 3,-2.0 0.845 102.0 57.1 -50.2 -42.1 -1.5 -10.5 -0.2 90 88 A I G 3 5S+ 0 0 27 1,-0.3 -1,-0.3 4,-0.2 6,-0.2 0.682 100.9 57.5 -68.6 -14.9 -4.3 -8.1 -1.2 91 89 A L G < 5S+ 0 0 31 -3,-2.1 -1,-0.3 4,-0.1 -2,-0.2 0.445 121.5 23.9 -88.3 -1.6 -1.7 -5.7 -2.8 92 90 A K T X 5S- 0 0 164 -3,-2.0 3,-2.0 -4,-0.3 -26,-0.1 0.031 133.3 -10.0-128.6-117.7 -0.6 -8.5 -5.0 93 91 A D T 3 5S+ 0 0 109 1,-0.3 -3,-0.2 -2,-0.1 -4,-0.1 0.650 127.9 58.0 -70.1 -15.0 -2.3 -11.6 -6.2 94 92 A Q T 3 - 0 0 46 -6,-0.2 3,-2.1 -31,-0.1 -31,-0.1 -0.990 37.3-124.5-138.6 143.5 -10.0 -7.5 -6.0 97 95 A P T 3 S+ 0 0 61 0, 0.0 -33,-0.1 0, 0.0 -32,-0.1 0.640 108.0 71.6 -68.2 -8.7 -11.9 -4.5 -7.4 98 96 A A T 3 S+ 0 0 74 2,-0.1 2,-0.2 -35,-0.0 -3,-0.0 0.654 83.3 88.6 -74.8 -17.6 -14.2 -4.7 -4.3 99 97 A L < - 0 0 18 -3,-2.1 2,-0.3 -36,-0.2 3,-0.0 -0.519 63.5-165.2 -77.8 148.5 -11.3 -3.5 -2.2 100 98 A T > - 0 0 24 -2,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.810 38.7-103.1-122.7 170.0 -10.8 0.3 -1.8 101 99 A L H > S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.909 124.8 56.7 -59.1 -39.1 -7.9 2.3 -0.6 102 100 A S H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.924 107.7 46.8 -56.2 -48.5 -9.8 2.7 2.7 103 101 A R H > S+ 0 0 139 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 110.8 53.0 -63.4 -36.9 -10.0 -1.2 3.0 104 102 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.908 108.0 50.0 -63.0 -43.8 -6.2 -1.4 2.2 105 103 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.914 111.2 49.1 -64.8 -39.4 -5.4 1.1 4.9 106 104 A L H X S+ 0 0 83 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.906 111.2 50.0 -62.1 -40.7 -7.5 -1.0 7.3 107 105 A S H X S+ 0 0 33 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.844 109.5 50.8 -67.3 -34.3 -5.7 -4.1 6.2 108 106 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.916 109.1 50.9 -71.6 -41.1 -2.3 -2.4 6.7 109 107 A S H X S+ 0 0 29 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.909 110.6 49.6 -58.2 -43.3 -3.3 -1.4 10.2 110 108 A S H >X S+ 0 0 74 -4,-2.2 4,-0.9 1,-0.2 3,-0.5 0.918 106.9 55.6 -59.9 -44.9 -4.3 -5.0 10.8 111 109 A L H >< S+ 0 0 22 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.896 102.5 56.1 -55.6 -38.3 -0.9 -6.2 9.5 112 110 A L H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.871 107.4 49.3 -66.8 -29.0 0.8 -4.0 12.1 113 111 A T H << S+ 0 0 85 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.647 113.4 49.5 -81.9 -12.0 -1.1 -5.8 14.8 114 112 A D << + 0 0 111 -4,-0.9 2,-0.5 -3,-0.8 -1,-0.2 -0.555 68.8 178.8-128.4 69.2 -0.1 -9.1 13.4 115 113 A P - 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