==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 17-AUG-11 3TGD . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 D2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.C.PAGE,J.AMICK,S.MISRA . 152 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 61.2 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 . 23 15.1 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 . 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 . 4 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 30.3 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 1 0 0 0 0 1 0 0 0 1 0 2 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 . 2 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 0 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 -4 A G > 0 0 87 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-160.3 7.8 -36.1 -21.4 2 -3 A A T 4 + 0 0 90 1,-0.2 7,-0.1 2,-0.2 4,-0.1 0.874 360.0 45.4 -55.7 -38.1 5.0 -33.6 -22.5 3 -2 A M T >4 S+ 0 0 146 1,-0.2 3,-1.6 2,-0.2 4,-0.3 0.948 113.0 49.2 -68.8 -47.7 4.1 -33.0 -18.8 4 -1 A G T 34 S+ 0 0 70 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.787 112.6 49.0 -61.6 -29.0 7.8 -32.6 -17.8 5 0 A S T 3X S+ 0 0 38 -4,-2.0 4,-2.8 1,-0.2 -1,-0.3 0.331 80.1 103.2 -92.9 3.5 8.4 -30.2 -20.6 6 1 A M H <> S+ 0 0 72 -3,-1.6 4,-2.5 1,-0.2 5,-0.2 0.917 81.7 46.6 -54.8 -50.2 5.3 -28.0 -19.9 7 2 A A H > S+ 0 0 7 -4,-0.3 4,-2.6 56,-0.3 -1,-0.2 0.949 113.5 48.6 -57.3 -52.3 7.3 -25.2 -18.2 8 3 A L H > S+ 0 0 59 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.922 112.8 47.3 -54.5 -50.5 9.9 -25.1 -21.0 9 4 A K H X S+ 0 0 115 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.903 111.7 50.7 -62.3 -40.2 7.3 -25.1 -23.8 10 5 A R H X S+ 0 0 54 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.910 108.6 51.6 -63.9 -41.7 5.3 -22.3 -22.0 11 6 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.907 109.8 50.5 -62.0 -39.2 8.4 -20.2 -21.6 12 7 A H H X S+ 0 0 81 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.905 109.1 51.3 -63.5 -41.7 9.1 -20.6 -25.4 13 8 A K H X S+ 0 0 145 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.907 110.6 48.6 -63.2 -42.6 5.6 -19.5 -26.2 14 9 A E H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.906 110.0 51.5 -64.0 -41.8 5.9 -16.4 -24.0 15 10 A L H X S+ 0 0 40 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.925 109.9 49.8 -61.2 -43.3 9.2 -15.5 -25.6 16 11 A N H X S+ 0 0 79 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.882 111.2 48.9 -62.8 -39.8 7.7 -15.8 -29.1 17 12 A D H X S+ 0 0 110 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.918 112.4 48.6 -64.4 -43.8 4.7 -13.6 -28.1 18 13 A L H < S+ 0 0 7 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.895 114.9 43.8 -61.5 -44.5 7.1 -11.0 -26.6 19 14 A A H < S+ 0 0 71 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.840 114.4 49.8 -72.9 -36.0 9.3 -11.0 -29.7 20 15 A R H < S+ 0 0 187 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.788 126.1 25.5 -68.5 -35.1 6.4 -10.9 -32.1 21 16 A D S < S- 0 0 131 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.671 92.7-146.8-132.0 71.0 4.6 -8.1 -30.4 22 17 A P - 0 0 91 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 -0.157 17.3-120.1 -52.3 124.7 7.4 -6.2 -28.7 23 18 A P > - 0 0 35 0, 0.0 3,-1.8 0, 0.0 2,-0.1 -0.411 41.9 -89.8 -66.9 137.5 6.2 -4.7 -25.4 24 19 A A T 3 S- 0 0 90 1,-0.3 19,-0.1 -2,-0.1 3,-0.1 -0.243 98.6 -16.6 -59.5 124.1 6.6 -1.0 -25.4 25 20 A Q T 3 S+ 0 0 83 1,-0.2 18,-1.5 17,-0.1 2,-0.3 0.537 116.6 97.8 66.2 10.5 10.0 0.2 -24.1 26 21 A C E < -A 42 0A 19 -3,-1.8 2,-0.3 16,-0.2 16,-0.2 -0.907 47.7-170.9-126.2 157.2 10.8 -3.2 -22.5 27 22 A S E +A 41 0A 59 14,-2.0 14,-2.6 -2,-0.3 2,-0.3 -0.974 8.2 169.2-139.9 153.8 12.8 -6.2 -23.5 28 23 A A E +A 40 0A 17 -2,-0.3 12,-0.2 12,-0.3 -2,-0.0 -0.922 12.5 131.9-163.9 141.6 13.2 -9.7 -21.9 29 24 A G E -A 39 0A 17 10,-2.0 10,-2.5 -2,-0.3 30,-0.1 -0.967 55.8 -58.9-178.9 167.7 14.8 -13.0 -23.0 30 25 A P E -A 38 0A 37 0, 0.0 8,-0.3 0, 0.0 5,-0.1 -0.280 37.3-139.3 -63.5 143.7 17.0 -15.9 -22.0 31 26 A V S S- 0 0 92 6,-2.0 7,-0.1 3,-0.4 4,-0.1 0.935 77.3 -31.8 -68.6 -48.0 20.6 -15.0 -21.1 32 27 A G S S- 0 0 49 5,-0.4 5,-0.0 2,-0.4 0, 0.0 -0.008 109.0 -35.0-136.2-119.6 22.1 -17.9 -22.9 33 28 A D S S+ 0 0 166 -2,-0.1 2,-0.9 1,-0.0 3,-0.0 0.531 106.2 94.6 -93.9 -9.1 20.8 -21.4 -23.6 34 29 A D > - 0 0 85 1,-0.2 3,-1.5 3,-0.1 -3,-0.4 -0.738 56.8-165.9 -88.6 106.7 19.0 -21.8 -20.3 35 30 A M T 3 S+ 0 0 23 -2,-0.9 -1,-0.2 1,-0.3 26,-0.1 0.667 82.7 65.2 -66.5 -15.8 15.4 -20.8 -21.0 36 31 A F T 3 S+ 0 0 43 1,-0.1 25,-2.6 24,-0.1 2,-0.5 0.524 94.5 64.8 -86.6 -5.0 14.7 -20.6 -17.2 37 32 A H E < + B 0 60A 67 -3,-1.5 -6,-2.0 23,-0.2 -5,-0.4 -0.967 67.4 168.5-121.9 118.7 17.0 -17.7 -16.7 38 33 A W E -AB 30 59A 0 21,-3.0 21,-3.0 -2,-0.5 2,-0.4 -0.839 25.9-145.7-126.2 160.0 16.2 -14.3 -18.4 39 34 A Q E -AB 29 58A 90 -10,-2.5 -10,-2.0 -2,-0.3 2,-0.3 -0.931 20.6-172.5-117.3 149.5 17.3 -10.7 -18.4 40 35 A A E -AB 28 57A 0 17,-2.3 17,-2.5 -2,-0.4 2,-0.4 -0.936 11.6-151.9-137.0 159.8 14.9 -7.9 -19.0 41 36 A T E -AB 27 56A 28 -14,-2.6 -14,-2.0 -2,-0.3 2,-0.4 -0.995 6.4-169.7-131.6 143.7 15.1 -4.1 -19.4 42 37 A I E -AB 26 55A 0 13,-2.4 13,-2.9 -2,-0.4 2,-0.4 -0.998 16.6-140.2-130.0 130.7 12.6 -1.4 -18.6 43 38 A M E - B 0 54A 82 -18,-1.5 11,-0.2 -2,-0.4 8,-0.1 -0.713 37.9 -99.8 -85.4 134.8 12.9 2.2 -19.7 44 39 A G - 0 0 2 9,-2.7 8,-0.6 6,-0.4 3,-0.1 -0.291 50.5-101.4 -51.6 132.4 11.8 4.7 -17.1 45 40 A P > - 0 0 16 0, 0.0 3,-1.8 0, 0.0 6,-0.3 -0.273 41.4 -98.4 -61.5 144.0 8.2 5.7 -18.0 46 41 A N T 3 S+ 0 0 106 1,-0.3 4,-0.0 5,-0.1 -3,-0.0 -0.355 107.9 16.3 -62.8 138.0 7.8 9.1 -19.7 47 42 A D T 3 S+ 0 0 161 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.627 103.6 111.3 71.8 13.4 6.9 11.9 -17.4 48 43 A S S X S- 0 0 15 -3,-1.8 3,-1.8 -4,-0.1 -1,-0.3 -0.708 87.6-105.8-103.2 169.2 7.8 9.8 -14.4 49 44 A P T 3 S+ 0 0 15 0, 0.0 98,-0.2 0, 0.0 -5,-0.1 0.698 120.7 60.2 -63.7 -19.9 10.8 10.6 -12.2 50 45 A Y T > S+ 0 0 0 -5,-0.2 3,-2.3 65,-0.1 -6,-0.4 0.417 73.6 136.3 -91.4 2.5 12.5 7.7 -13.8 51 46 A Q T < S+ 0 0 92 -3,-1.8 3,-0.1 -6,-0.3 -5,-0.1 -0.192 70.5 21.1 -58.6 136.6 12.3 9.0 -17.4 52 47 A G T 3 S+ 0 0 55 -8,-0.6 -1,-0.3 1,-0.4 2,-0.2 0.260 99.4 116.2 89.4 -9.9 15.5 8.6 -19.3 53 48 A G < - 0 0 1 -3,-2.3 -9,-2.7 -8,-0.1 2,-0.5 -0.568 54.0-150.0 -87.3 152.9 16.7 5.8 -17.1 54 49 A V E -B 43 0A 59 97,-2.6 2,-0.5 -11,-0.2 -11,-0.2 -0.996 14.0-161.3-122.5 125.0 17.2 2.2 -18.2 55 50 A F E -B 42 0A 0 -13,-2.9 -13,-2.4 -2,-0.5 2,-0.3 -0.927 3.5-150.8-115.4 129.3 16.7 -0.5 -15.6 56 51 A F E -B 41 0A 76 -2,-0.5 19,-3.3 -15,-0.2 20,-1.0 -0.745 15.4-175.1 -99.0 141.4 18.0 -4.0 -15.8 57 52 A L E -BC 40 74A 0 -17,-2.5 -17,-2.3 -2,-0.3 2,-0.4 -0.947 18.5-139.0-134.0 156.2 16.3 -7.0 -14.2 58 53 A T E -BC 39 73A 49 15,-2.9 15,-2.2 -2,-0.3 2,-0.4 -0.936 17.9-165.2-115.0 137.8 16.9 -10.7 -13.7 59 54 A I E -BC 38 72A 4 -21,-3.0 -21,-3.0 -2,-0.4 2,-0.5 -0.990 7.1-174.6-125.7 127.0 14.2 -13.3 -14.1 60 55 A H E -BC 37 71A 91 11,-2.5 11,-2.9 -2,-0.4 -23,-0.2 -0.978 14.0-150.0-123.4 122.2 14.3 -16.9 -13.0 61 56 A F - 0 0 1 -25,-2.6 2,-0.1 -2,-0.5 -2,-0.0 -0.663 19.7-122.0 -86.5 139.1 11.4 -19.2 -13.8 62 57 A P > - 0 0 30 0, 0.0 3,-1.8 0, 0.0 6,-0.1 -0.383 23.9-111.2 -77.3 160.3 10.6 -22.0 -11.5 63 58 A T T 3 S+ 0 0 126 1,-0.3 -56,-0.3 -2,-0.1 -55,-0.1 0.793 118.1 51.2 -61.3 -30.2 10.6 -25.6 -12.6 64 59 A D T > S+ 0 0 58 -57,-0.1 3,-2.3 -58,-0.1 -1,-0.3 0.130 92.7 177.2 -96.2 19.4 6.8 -25.7 -12.3 65 60 A Y T < + 0 0 2 -3,-1.8 -55,-0.2 1,-0.3 -54,-0.1 -0.374 58.2 32.9 -63.6 137.2 6.0 -22.6 -14.2 66 61 A P T 3 S+ 0 0 7 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 -0.948 114.8 61.8 -96.0 13.2 3.4 -21.4 -15.0 67 62 A F S < S+ 0 0 127 -3,-2.3 -2,-0.2 33,-0.1 34,-0.1 0.595 110.3 38.8 -81.0 -9.0 1.9 -22.6 -11.7 68 63 A K S S- 0 0 116 -4,-0.1 27,-0.1 -6,-0.1 31,-0.1 -0.972 95.6-103.4-133.0 150.6 4.4 -20.6 -9.6 69 64 A P - 0 0 36 0, 0.0 2,-0.1 0, 0.0 25,-0.1 -0.245 34.1-104.1 -73.3 158.6 5.6 -17.0 -10.3 70 65 A P - 0 0 3 0, 0.0 2,-0.6 0, 0.0 -9,-0.2 -0.454 32.6-117.2 -70.4 155.2 9.0 -16.1 -11.7 71 66 A K E -C 60 0A 166 -11,-2.9 -11,-2.5 -2,-0.1 2,-0.4 -0.867 39.2-171.1 -94.6 124.7 11.5 -14.6 -9.3 72 67 A V E +C 59 0A 13 -2,-0.6 17,-0.6 -13,-0.2 2,-0.4 -0.962 10.8 172.2-124.4 132.7 12.3 -11.1 -10.5 73 68 A A E -CD 58 88A 23 -15,-2.2 -15,-2.9 -2,-0.4 2,-0.3 -0.999 29.5-126.0-140.4 138.6 14.9 -8.7 -9.2 74 69 A F E -C 57 0A 6 13,-2.5 -17,-0.3 -2,-0.4 4,-0.1 -0.593 15.3-173.0 -71.6 140.3 16.2 -5.3 -10.3 75 70 A T + 0 0 86 -19,-3.3 2,-0.4 -2,-0.3 -18,-0.2 0.357 69.7 76.5-111.6 -1.5 20.0 -5.2 -10.9 76 71 A T S S- 0 0 19 -20,-1.0 75,-0.1 11,-0.1 2,-0.1 -0.911 92.9-111.1-103.1 136.2 19.9 -1.4 -11.4 77 72 A R + 0 0 127 -2,-0.4 2,-0.3 73,-0.3 73,-0.1 -0.389 42.6 177.3 -64.9 142.0 19.6 0.8 -8.3 78 73 A I - 0 0 12 6,-0.2 2,-0.8 5,-0.1 9,-0.1 -0.992 32.3-129.3-148.6 143.8 16.2 2.6 -8.1 79 74 A Y + 0 0 19 -2,-0.3 5,-0.1 64,-0.3 68,-0.1 -0.830 56.2 128.3 -96.9 105.7 14.5 4.9 -5.6 80 75 A H > - 0 0 0 -2,-0.8 3,-1.4 3,-0.5 49,-0.1 -0.969 62.9-125.6-162.7 138.0 11.1 3.4 -5.0 81 76 A P T 3 S+ 0 0 0 0, 0.0 43,-3.4 0, 0.0 44,-1.9 0.751 110.4 44.2 -60.4 -26.8 9.0 2.4 -1.9 82 77 A N T 3 S+ 0 0 0 41,-0.3 8,-2.8 42,-0.2 2,-0.4 0.243 102.0 70.3-107.4 11.1 8.4 -1.1 -3.2 83 78 A I B < -E 89 0B 3 -3,-1.4 -3,-0.5 6,-0.2 6,-0.2 -0.990 68.3-152.9-132.9 121.4 11.9 -2.1 -4.4 84 79 A N > - 0 0 42 4,-1.9 3,-2.2 -2,-0.4 -6,-0.2 -0.228 35.4 -91.4 -88.2 178.7 14.8 -2.7 -2.0 85 80 A S T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 40,-0.0 0.746 126.8 54.8 -60.5 -25.8 18.6 -2.4 -2.2 86 81 A N T 3 S- 0 0 122 2,-0.1 -1,-0.3 -9,-0.0 3,-0.1 0.428 119.7-111.6 -86.8 -2.5 18.8 -6.0 -3.3 87 82 A G < + 0 0 5 -3,-2.2 -13,-2.5 1,-0.3 -2,-0.1 0.522 65.3 152.7 82.1 6.5 16.4 -5.2 -6.1 88 83 A S B -D 73 0A 55 -15,-0.2 -4,-1.9 36,-0.0 2,-0.5 -0.418 34.1-143.3 -67.7 142.0 13.6 -7.3 -4.6 89 84 A I B -E 83 0B 21 -17,-0.6 2,-1.0 -6,-0.2 -6,-0.2 -0.938 9.4-147.0-116.3 129.3 10.1 -6.1 -5.6 90 85 A C + 0 0 27 -8,-2.8 2,-0.3 -2,-0.5 29,-0.2 -0.828 44.5 145.8 -93.1 103.9 7.0 -6.1 -3.4 91 86 A L >> - 0 0 14 -2,-1.0 3,-1.8 1,-0.1 4,-0.8 -0.982 50.4-134.4-145.9 128.4 4.4 -6.8 -6.1 92 87 A D H >>>S+ 0 0 92 -2,-0.3 5,-2.7 1,-0.3 3,-1.0 0.844 102.8 53.4 -58.5 -41.0 1.2 -8.8 -5.5 93 88 A I H 345S+ 0 0 24 1,-0.3 -1,-0.3 4,-0.2 6,-0.1 0.681 102.8 59.1 -70.3 -14.7 1.4 -10.9 -8.6 94 89 A L H <45S+ 0 0 25 -3,-1.8 -1,-0.3 4,-0.1 -2,-0.2 0.717 124.0 15.2 -82.7 -19.5 4.9 -12.0 -7.8 95 90 A R H <<5S- 0 0 216 -3,-1.0 3,-0.2 -4,-0.8 -2,-0.2 0.761 135.3 -1.0-114.3 -79.7 3.6 -13.5 -4.5 96 91 A S T <5S+ 0 0 85 -4,-0.7 -3,-0.2 1,-0.2 -4,-0.1 0.666 125.9 54.8-100.6 -21.3 0.0 -14.2 -3.4 97 92 A Q S - 0 0 47 -6,-0.1 3,-2.4 -2,-0.1 -31,-0.1 -0.987 40.6-119.1-142.2 148.7 -2.0 -17.1 -11.6 100 95 A P T 3 S+ 0 0 55 0, 0.0 -33,-0.1 0, 0.0 -32,-0.1 0.624 113.4 67.9 -63.6 -10.6 -0.9 -19.5 -14.4 101 96 A A T 3 S+ 0 0 60 -34,-0.1 2,-0.1 2,-0.1 -34,-0.1 0.641 83.7 93.8 -79.4 -16.1 -2.8 -17.0 -16.7 102 97 A L < - 0 0 29 -3,-2.4 2,-0.3 -36,-0.2 3,-0.0 -0.421 58.2-169.8 -75.5 154.0 -0.1 -14.4 -16.0 103 98 A T > - 0 0 33 -2,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.849 40.1 -99.4-138.4 171.2 2.9 -14.0 -18.3 104 99 A I H > S+ 0 0 1 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.893 123.7 55.6 -61.9 -37.9 6.3 -12.3 -18.4 105 100 A S H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.927 108.4 47.2 -61.6 -43.5 4.7 -9.6 -20.6 106 101 A K H > S+ 0 0 98 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.888 110.5 52.9 -63.5 -39.9 2.0 -9.0 -17.9 107 102 A V H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.927 109.0 48.8 -62.1 -44.9 4.7 -8.9 -15.2 108 103 A L H X S+ 0 0 4 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.925 111.8 49.3 -61.4 -43.2 6.7 -6.2 -17.1 109 104 A L H X S+ 0 0 131 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.903 110.9 50.8 -59.1 -43.6 3.5 -4.2 -17.5 110 105 A S H X S+ 0 0 26 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.888 110.2 48.9 -63.2 -41.2 2.8 -4.6 -13.8 111 106 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.910 110.2 51.3 -67.9 -38.7 6.2 -3.4 -12.9 112 107 A C H X S+ 0 0 27 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.935 111.1 48.2 -62.4 -42.4 5.9 -0.4 -15.3 113 108 A S H X S+ 0 0 71 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.908 109.3 54.0 -62.1 -41.0 2.6 0.4 -13.6 114 109 A L H < S+ 0 0 5 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.888 105.9 52.0 -61.8 -39.2 4.3 0.0 -10.2 115 110 A L H < S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.877 114.5 43.4 -63.0 -38.2 7.0 2.5 -11.2 116 111 A C H < S+ 0 0 81 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.708 128.6 26.6 -78.2 -26.5 4.2 5.0 -12.2 117 112 A D S < S- 0 0 90 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.654 79.0-160.7-142.9 81.5 2.1 4.3 -9.1 118 113 A P - 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