==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 11-MAY-07 2PWQ . COMPND 2 MOLECULE: UBIQUITIN CONJUGATING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM YOELII; . AUTHOR W.QIU,A.DONG,A.HASSANALI,L.LIN,S.BROKX,S.ALTAMENTOVA, . 154 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 64.9 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 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0.6 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 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 1 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 . 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 -2 A F 0 0 187 0, 0.0 10,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0-101.3 -8.8 9.2 33.6 2 -1 A Q + 0 0 189 1,-0.1 2,-0.3 6,-0.0 0, 0.0 0.245 360.0 93.2 -42.0 142.2 -11.6 9.1 36.1 3 0 A G S S- 0 0 40 1,-0.1 5,-0.1 0, 0.0 -1,-0.1 -0.964 70.7 -10.9 162.3-164.7 -14.4 11.7 35.7 4 1 A S > - 0 0 63 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 0.078 63.2-106.3 -58.3 166.1 -17.9 12.0 34.1 5 2 A K H > S+ 0 0 136 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.849 123.3 51.7 -57.3 -40.1 -19.6 9.6 31.7 6 3 A E H > S+ 0 0 36 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.910 109.2 49.1 -63.7 -45.9 -18.9 12.2 28.9 7 4 A L H > S+ 0 0 47 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.912 111.1 49.0 -63.2 -42.8 -15.2 12.4 29.8 8 5 A L H X S+ 0 0 84 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.919 111.5 51.2 -61.7 -41.6 -14.8 8.6 29.8 9 6 A R H X S+ 0 0 55 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.928 110.9 46.6 -61.2 -52.3 -16.6 8.5 26.4 10 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.869 110.3 54.3 -56.7 -38.0 -14.3 11.1 24.9 11 8 A Q H X S+ 0 0 22 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.891 109.2 47.3 -65.6 -41.4 -11.3 9.4 26.3 12 9 A K H X S+ 0 0 129 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.921 109.5 53.4 -63.4 -48.1 -12.3 6.1 24.7 13 10 A E H X S+ 0 0 10 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.932 110.9 47.6 -52.3 -48.0 -12.9 7.7 21.3 14 11 A L H X S+ 0 0 25 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.896 111.3 48.5 -63.6 -43.9 -9.5 9.3 21.4 15 12 A K H X S+ 0 0 105 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.888 113.7 48.3 -63.2 -37.8 -7.7 6.1 22.3 16 13 A D H X S+ 0 0 70 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.909 111.0 49.0 -69.8 -41.9 -9.6 4.1 19.6 17 14 A I H < S+ 0 0 3 -4,-2.6 3,-0.2 1,-0.2 -1,-0.2 0.919 110.5 52.5 -59.6 -44.8 -8.8 6.8 16.9 18 15 A E H < S+ 0 0 127 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.804 111.8 46.6 -60.9 -30.8 -5.2 6.5 18.1 19 16 A N H < S+ 0 0 128 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.722 107.0 69.0 -87.0 -24.5 -5.4 2.8 17.6 20 17 A E S < S- 0 0 108 -4,-2.0 2,-1.3 -3,-0.2 3,-0.1 0.122 111.5 -54.6 -75.6-165.5 -7.1 3.0 14.2 21 18 A N >> + 0 0 72 1,-0.2 4,-2.1 2,-0.1 3,-1.2 -0.635 53.0 177.2 -81.6 92.3 -5.6 4.2 10.8 22 19 A V T 34 S+ 0 0 42 -2,-1.3 -1,-0.2 1,-0.3 -4,-0.0 0.533 73.7 71.2 -78.1 -6.2 -4.3 7.6 11.8 23 20 A Q T 34 S+ 0 0 135 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.793 111.6 30.8 -75.5 -25.5 -2.9 8.1 8.3 24 21 A E T <4 S+ 0 0 52 -3,-1.2 18,-2.5 1,-0.3 2,-0.4 0.889 136.0 10.0 -94.0 -52.5 -6.5 8.4 7.1 25 22 A I E < +A 41 0A 0 -4,-2.1 -1,-0.3 16,-0.2 2,-0.3 -0.996 69.4 163.5-138.8 124.9 -8.3 9.9 10.0 26 23 A D E +A 40 0A 50 14,-2.0 14,-2.6 -2,-0.4 2,-0.3 -0.900 7.0 175.0-134.4 162.4 -6.8 11.4 13.1 27 24 A A E +A 39 0A 7 -2,-0.3 2,-0.3 12,-0.3 12,-0.2 -0.885 2.6 168.3-163.3 143.8 -8.0 13.7 16.0 28 25 A H E -A 38 0A 107 10,-1.9 10,-2.2 -2,-0.3 2,-0.1 -0.929 48.4 -74.5-145.2 168.9 -6.5 15.0 19.2 29 26 A I E -A 37 0A 41 -2,-0.3 8,-0.2 8,-0.2 5,-0.1 -0.480 37.8-142.5 -63.9 138.0 -7.4 17.7 21.8 30 27 A K - 0 0 137 6,-2.2 -1,-0.1 3,-0.4 7,-0.1 0.973 68.5 -41.3 -65.9 -59.1 -6.6 21.1 20.4 31 28 A D S S- 0 0 137 5,-0.4 -2,-0.1 2,-0.3 3,-0.0 0.277 108.2 -29.2-135.4 -97.4 -5.3 22.8 23.6 32 29 A S S S+ 0 0 113 1,-0.0 2,-0.6 3,-0.0 -3,-0.0 0.355 105.2 91.1-123.0 1.1 -6.8 22.4 27.1 33 30 A N > - 0 0 88 3,-0.2 3,-1.8 1,-0.1 -3,-0.4 -0.920 56.7-158.7-106.9 114.7 -10.5 21.7 26.4 34 31 A F T 3 S+ 0 0 72 -2,-0.6 -1,-0.1 1,-0.3 3,-0.0 0.617 93.8 61.6 -65.1 -12.5 -11.5 18.0 26.1 35 32 A F T 3 S+ 0 0 45 1,-0.1 25,-2.9 24,-0.1 2,-0.4 0.229 95.8 67.5 -99.0 11.5 -14.6 19.2 24.2 36 33 A E E < + B 0 59A 44 -3,-1.8 -6,-2.2 23,-0.2 -5,-0.4 -0.942 64.3 171.7-137.7 111.4 -12.6 20.9 21.4 37 34 A W E -AB 29 58A 0 21,-2.7 21,-3.0 -2,-0.4 2,-0.5 -0.792 29.9-135.2-116.7 164.2 -10.6 18.8 19.0 38 35 A V E -AB 28 57A 33 -10,-2.2 -10,-1.9 -2,-0.3 2,-0.3 -0.971 28.1-156.7-109.0 129.1 -8.6 19.2 15.9 39 36 A G E -AB 27 56A 1 17,-2.1 17,-2.6 -2,-0.5 2,-0.4 -0.811 5.9-152.4-107.0 148.0 -9.3 16.6 13.2 40 37 A F E -AB 26 55A 44 -14,-2.6 -14,-2.0 -2,-0.3 2,-0.4 -0.987 10.1-175.3-113.2 133.1 -7.2 15.4 10.3 41 38 A I E -AB 25 54A 0 13,-2.5 13,-2.5 -2,-0.4 2,-0.4 -0.991 21.2-134.9-125.1 127.7 -8.6 13.9 7.1 42 39 A K E - B 0 53A 49 -18,-2.5 11,-0.2 -2,-0.4 8,-0.1 -0.621 26.6-117.3 -74.6 129.1 -6.4 12.5 4.3 43 40 A G - 0 0 0 9,-2.4 8,-0.8 -2,-0.4 9,-0.1 -0.546 42.1-107.7 -64.8 124.5 -7.4 13.6 0.9 44 41 A P > - 0 0 15 0, 0.0 3,-0.8 0, 0.0 5,-0.3 -0.264 29.9-105.6 -63.7 138.9 -8.4 10.4 -1.0 45 42 A E T 3 S+ 0 0 119 1,-0.2 4,-0.1 4,-0.1 -3,-0.0 -0.170 103.3 26.3 -57.8 154.5 -6.2 8.9 -3.8 46 43 A G T 3 S+ 0 0 73 1,-0.2 -1,-0.2 2,-0.0 0, 0.0 0.767 105.0 96.7 52.3 33.1 -7.5 9.4 -7.4 47 44 A T S X S- 0 0 24 -3,-0.8 3,-1.6 -4,-0.1 -1,-0.2 -0.881 93.7-102.0-131.8 169.9 -9.4 12.6 -6.4 48 45 A P T 3 S+ 0 0 29 0, 0.0 99,-0.2 0, 0.0 -3,-0.1 0.599 120.5 63.5 -68.8 -1.0 -8.4 16.2 -6.8 49 46 A Y T > S+ 0 0 0 -5,-0.3 3,-1.9 66,-0.1 -6,-0.3 0.358 72.4 134.7-100.7 8.2 -7.7 16.1 -3.0 50 47 A E T < S+ 0 0 81 -3,-1.6 3,-0.1 1,-0.3 -5,-0.1 -0.320 72.1 16.3 -70.2 134.9 -5.0 13.5 -3.3 51 48 A G T 3 S+ 0 0 46 -8,-0.8 -1,-0.3 1,-0.3 2,-0.3 0.461 98.3 131.6 79.4 3.0 -1.8 14.3 -1.3 52 49 A G < - 0 0 0 -3,-1.9 -9,-2.4 -9,-0.1 2,-0.5 -0.618 45.8-158.2 -85.5 148.5 -3.9 16.8 0.8 53 50 A H E -B 42 0A 65 98,-1.8 2,-0.5 -2,-0.3 -11,-0.2 -0.981 16.9-160.7-128.3 110.0 -3.9 16.9 4.6 54 51 A F E -B 41 0A 0 -13,-2.5 -13,-2.5 -2,-0.5 2,-0.4 -0.869 6.0-155.7-107.1 122.7 -7.0 18.6 5.8 55 52 A T E -B 40 0A 52 -2,-0.5 19,-3.4 -15,-0.2 20,-2.2 -0.764 14.4-174.1 -93.8 137.1 -7.4 20.1 9.3 56 53 A L E -BC 39 73A 0 -17,-2.6 -17,-2.1 -2,-0.4 2,-0.5 -0.881 23.1-127.2-126.7 160.9 -10.9 20.4 10.8 57 54 A A E -BC 38 72A 13 15,-2.8 15,-1.5 -2,-0.3 2,-0.6 -0.953 23.5-166.2-110.1 124.8 -12.2 22.0 14.0 58 55 A I E -BC 37 71A 0 -21,-3.0 -21,-2.7 -2,-0.5 2,-0.7 -0.925 5.6-171.1-116.7 106.6 -14.4 19.7 16.1 59 56 A T E -BC 36 70A 59 11,-2.5 11,-2.5 -2,-0.6 -23,-0.2 -0.884 12.1-157.1-102.4 118.2 -16.5 21.2 18.9 60 57 A I - 0 0 8 -25,-2.9 -2,-0.0 -2,-0.7 11,-0.0 -0.791 16.9-122.2 -98.1 128.6 -18.1 18.5 21.0 61 58 A P > - 0 0 31 0, 0.0 3,-1.6 0, 0.0 6,-0.1 -0.286 20.5-114.7 -71.7 159.2 -21.3 19.3 23.0 62 59 A N T 3 S+ 0 0 135 1,-0.3 -56,-0.1 3,-0.1 -2,-0.0 0.653 115.0 51.1 -68.8 -16.4 -21.4 18.9 26.8 63 60 A D T > S+ 0 0 65 -57,-0.1 3,-2.2 2,-0.0 -1,-0.3 0.321 91.8 175.2 -99.3 4.2 -24.0 16.2 26.6 64 61 A Y T < + 0 0 0 -3,-1.6 -55,-0.1 1,-0.3 -54,-0.1 -0.206 58.7 35.2 -44.3 139.2 -22.1 14.1 24.0 65 62 A P T 3 S+ 0 0 16 0, 0.0 -1,-0.3 0, 0.0 37,-0.2 -0.884 115.1 62.1 -92.6 23.6 -22.9 11.3 22.9 66 63 A Y S < S+ 0 0 142 -3,-2.2 -2,-0.2 33,-0.1 32,-0.0 0.521 111.0 38.9 -89.9 -10.1 -26.5 12.4 23.0 67 64 A N S S- 0 0 84 -6,-0.1 32,-0.1 32,-0.1 28,-0.1 -0.970 91.8-105.9-133.7 152.3 -25.9 15.3 20.6 68 65 A P - 0 0 26 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 -0.328 33.7-108.6 -72.0 156.2 -23.7 15.5 17.5 69 66 A P - 0 0 4 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.387 27.2-123.5 -69.7 159.0 -20.3 17.3 17.2 70 67 A K E -C 59 0A 155 -11,-2.5 -11,-2.5 -2,-0.1 2,-0.4 -0.929 34.8-174.0 -99.0 135.0 -20.1 20.5 15.2 71 68 A I E +C 58 0A 9 -2,-0.5 18,-0.5 -13,-0.2 2,-0.3 -0.993 14.2 164.8-133.4 137.8 -17.4 20.2 12.5 72 69 A K E -CD 57 88A 99 -15,-1.5 -15,-2.8 -2,-0.4 16,-0.2 -0.978 39.2-106.4-144.5 153.3 -15.9 22.7 10.0 73 70 A F E -C 56 0A 2 14,-3.4 -17,-0.3 -2,-0.3 4,-0.1 -0.508 22.5-173.4 -78.5 151.8 -12.8 22.6 7.9 74 71 A V S S+ 0 0 91 -19,-3.4 -18,-0.2 -2,-0.1 -1,-0.2 0.708 70.5 77.3-101.6 -49.5 -9.9 24.8 8.9 75 72 A T S S- 0 0 17 -20,-2.2 2,-0.2 1,-0.1 76,-0.1 -0.337 94.6-113.9 -61.7 133.6 -7.8 24.0 5.9 76 73 A K + 0 0 79 74,-0.2 2,-0.3 70,-0.1 74,-0.1 -0.567 44.5 176.3 -73.2 142.5 -9.1 25.9 2.9 77 74 A I - 0 0 4 6,-0.3 2,-0.7 -2,-0.2 10,-0.2 -0.992 34.1-133.0-156.0 141.0 -10.6 23.6 0.2 78 75 A W + 0 0 24 -2,-0.3 5,-0.1 65,-0.2 69,-0.1 -0.903 53.6 130.8-103.6 104.7 -12.4 23.9 -3.1 79 76 A H B > -E 82 0B 0 -2,-0.7 3,-1.9 3,-0.6 50,-0.2 -0.979 61.3-126.6-159.2 134.1 -15.5 21.5 -2.9 80 77 A P T 3 S+ 0 0 0 0, 0.0 44,-3.4 0, 0.0 45,-1.6 0.764 110.9 50.6 -61.0 -24.4 -19.2 22.0 -3.8 81 78 A N T 3 S+ 0 0 11 42,-0.2 9,-0.7 43,-0.2 2,-0.3 0.276 105.9 60.5 -97.3 16.3 -20.2 20.8 -0.3 82 79 A I B < S-EF 79 89B 2 -3,-1.9 -3,-0.6 7,-0.2 2,-0.2 -0.999 89.8-106.4-145.8 129.6 -17.9 23.1 1.7 83 80 A S > - 0 0 21 5,-2.2 4,-1.9 -2,-0.3 -6,-0.3 -0.423 22.2-148.8 -58.2 119.8 -17.7 26.9 2.0 84 81 A S T 4 S+ 0 0 9 -2,-0.2 -1,-0.2 1,-0.2 41,-0.0 0.566 97.4 38.3 -65.2 -10.1 -14.6 27.9 0.0 85 82 A Q T 4 S+ 0 0 148 -9,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.713 130.2 20.4-114.3 -30.1 -14.3 30.8 2.5 86 83 A T T 4 S- 0 0 89 2,-0.1 -2,-0.1 -10,-0.0 -10,-0.0 0.497 88.6-124.9-121.1 -9.2 -15.3 29.5 5.9 87 84 A G < + 0 0 7 -4,-1.9 -14,-3.4 1,-0.2 -3,-0.1 0.524 55.2 154.3 74.8 5.6 -14.9 25.7 5.8 88 85 A A B -D 72 0A 33 -16,-0.2 -5,-2.2 -6,-0.1 2,-0.3 -0.334 22.6-168.3 -64.2 145.7 -18.5 25.1 6.8 89 86 A I B -F 82 0B 20 -18,-0.5 2,-0.8 -7,-0.2 -7,-0.2 -0.934 29.5-104.9-130.7 155.9 -20.3 21.9 5.8 90 87 A C + 0 0 66 -9,-0.7 3,-0.2 -2,-0.3 34,-0.0 -0.746 36.9 172.3 -83.1 114.7 -23.9 20.8 5.9 91 88 A L > + 0 0 37 -2,-0.8 4,-3.0 1,-0.2 -1,-0.1 0.099 39.0 118.8-109.5 23.0 -24.3 18.3 8.8 92 89 A D H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.894 74.4 57.0 -51.6 -43.9 -28.1 18.0 8.6 93 90 A V H > S+ 0 0 109 -3,-0.2 4,-2.0 1,-0.2 5,-0.2 0.970 112.4 36.1 -57.6 -60.9 -27.7 14.4 7.9 94 91 A L H > S+ 0 0 21 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.862 111.4 64.9 -64.1 -31.6 -25.7 13.5 11.0 95 92 A K H >< S+ 0 0 142 -4,-3.0 3,-0.7 1,-0.2 -2,-0.2 0.978 114.6 28.9 -46.8 -64.0 -27.7 16.0 13.0 96 93 A N H 3< S+ 0 0 118 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.666 123.1 51.3 -82.0 -11.9 -30.9 14.0 12.6 97 94 A E H 3< S+ 0 0 130 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.591 84.7 127.0 -86.6 -11.2 -29.1 10.6 12.3 98 95 A W << + 0 0 31 -4,-1.7 -3,-0.0 -3,-0.7 -4,-0.0 -0.153 24.3 148.5 -62.2 134.2 -27.1 11.2 15.5 99 96 A S > - 0 0 48 -32,-0.1 3,-3.1 4,-0.0 -33,-0.1 -0.962 62.5 -95.9-151.6 155.7 -27.1 8.6 18.3 100 97 A P T 3 S+ 0 0 62 0, 0.0 -34,-0.1 0, 0.0 -2,-0.1 0.590 119.5 69.0 -38.8 -18.1 -24.7 7.4 21.0 101 98 A A T 3 S+ 0 0 84 -36,-0.1 -3,-0.1 2,-0.1 2,-0.0 0.803 85.9 81.3 -78.0 -29.3 -23.8 4.6 18.5 102 99 A L < - 0 0 56 -3,-3.1 2,-0.3 -37,-0.2 3,-0.1 -0.266 66.3-157.7 -72.6 159.9 -22.1 7.1 16.2 103 100 A T > - 0 0 39 1,-0.1 4,-2.4 -90,-0.0 5,-0.2 -0.964 29.7-113.4-136.8 159.5 -18.5 8.3 16.7 104 101 A I H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.936 116.3 54.9 -59.6 -47.2 -16.4 11.2 15.8 105 102 A R H > S+ 0 0 25 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.884 108.9 49.0 -53.5 -37.9 -14.1 9.1 13.6 106 103 A T H > S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 108.6 52.6 -73.7 -34.4 -17.1 7.9 11.7 107 104 A A H X S+ 0 0 5 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.923 113.7 45.4 -57.9 -42.7 -18.3 11.5 11.3 108 105 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 3,-0.2 0.857 108.3 54.5 -69.6 -40.0 -14.9 12.2 9.8 109 106 A L H X S+ 0 0 63 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.877 107.8 51.6 -59.8 -36.3 -14.9 9.1 7.6 110 107 A S H X S+ 0 0 57 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.762 108.2 50.8 -77.2 -19.8 -18.2 10.3 6.1 111 108 A I H X S+ 0 0 6 -4,-0.8 4,-1.6 -3,-0.2 -2,-0.2 0.906 108.9 50.8 -78.6 -42.6 -16.7 13.7 5.4 112 109 A Q H X S+ 0 0 20 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.868 106.0 56.6 -59.3 -36.1 -13.7 12.0 3.7 113 110 A A H X S+ 0 0 55 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.938 102.7 55.2 -57.8 -47.0 -16.3 10.1 1.7 114 111 A L H < S+ 0 0 46 -4,-1.5 3,-0.2 1,-0.2 -2,-0.2 0.862 102.7 55.6 -50.0 -41.4 -17.8 13.4 0.6 115 112 A L H < S+ 0 0 2 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.917 111.8 44.5 -57.7 -44.9 -14.3 14.4 -0.7 116 113 A S H < S+ 0 0 64 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.708 128.2 26.4 -66.9 -25.3 -14.3 11.2 -2.8 117 114 A D S < S- 0 0 105 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.1 -0.620 79.4-156.9-149.1 78.2 -17.8 11.7 -4.0 118 115 A P - 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