==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/SIGNALING PROTEIN 16-OCT-09 3K9P . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 K; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.B.KANG,S.KO,S.M.SONG,W.LEE,S.H.EOM . 271 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14015.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 21 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.6 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 1 0 0 1 0 1 1 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 5 1 0 1 2 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 2 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 M 0 0 205 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 72.6 18.8 -24.2 6.3 2 2 A A + 0 0 54 1,-0.0 2,-1.3 63,-0.0 0, 0.0 0.180 360.0 125.7 -96.5 17.0 17.3 -22.3 3.3 3 3 A N - 0 0 21 1,-0.2 3,-0.5 62,-0.1 61,-0.1 -0.638 44.3-164.0 -83.1 94.7 19.6 -19.3 3.6 4 4 A I S S+ 0 0 99 -2,-1.3 2,-1.2 60,-0.6 -1,-0.2 0.901 72.1 29.6 -35.7 -88.2 21.1 -19.0 0.1 5 5 A A > + 0 0 25 59,-0.2 4,-1.0 1,-0.2 -1,-0.2 -0.603 53.8 149.5 -90.0 80.1 24.1 -16.7 0.4 6 6 A V H > S+ 0 0 41 -2,-1.2 4,-0.6 -3,-0.5 2,-0.6 0.495 75.4 71.7 -79.9 -4.4 25.6 -17.0 3.9 7 7 A Q H 4 S+ 0 0 164 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.0 -0.647 96.9 40.1-111.7 68.9 28.7 -16.2 1.8 8 8 A R H > S+ 0 0 32 -2,-0.6 4,-5.0 -3,-0.2 5,-0.4 -0.046 106.0 60.4-173.4 -45.8 28.0 -12.6 1.1 9 9 A I H X S+ 0 0 0 -4,-1.0 4,-1.3 1,-0.2 -2,-0.1 0.902 108.8 50.1 -60.2 -38.5 26.7 -11.5 4.4 10 10 A K H X S+ 0 0 96 -4,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.908 114.5 41.7 -65.4 -45.4 30.1 -12.7 5.5 11 11 A R H > S+ 0 0 130 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.957 117.6 45.9 -68.5 -48.8 31.8 -10.6 2.8 12 12 A E H X S+ 0 0 0 -4,-5.0 4,-1.6 1,-0.2 -1,-0.2 0.722 110.1 57.5 -65.8 -19.6 29.5 -7.6 3.4 13 13 A F H X S+ 0 0 33 -4,-1.3 4,-1.8 -5,-0.4 -1,-0.2 0.904 108.0 44.2 -76.4 -43.2 30.1 -8.1 7.1 14 14 A K H X S+ 0 0 111 -4,-2.0 4,-2.9 1,-0.2 3,-0.4 0.995 109.9 58.7 -58.3 -59.2 33.9 -7.8 6.6 15 15 A E H < S+ 0 0 51 -4,-2.7 4,-0.2 1,-0.3 -2,-0.2 0.798 106.3 46.5 -34.0 -52.5 33.2 -4.8 4.4 16 16 A V H >< S+ 0 0 1 -4,-1.6 3,-1.5 2,-0.2 6,-0.4 0.943 113.5 47.6 -63.0 -49.1 31.4 -2.9 7.1 17 17 A L H 3< S+ 0 0 80 -4,-1.8 -2,-0.2 -3,-0.4 -1,-0.2 0.884 114.5 47.1 -60.2 -40.7 34.0 -3.6 9.8 18 18 A K T 3< S+ 0 0 166 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.407 92.4 112.7 -83.0 4.2 36.8 -2.6 7.5 19 19 A S S <> S- 0 0 14 -3,-1.5 4,-1.0 -5,-0.3 3,-0.3 -0.373 75.4-124.4 -77.9 157.6 35.0 0.6 6.4 20 20 A E H > S+ 0 0 145 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.683 109.3 66.4 -71.4 -20.6 36.2 4.1 7.2 21 21 A E H 4>S+ 0 0 38 2,-0.2 5,-2.5 1,-0.2 6,-0.3 0.923 97.9 51.8 -67.4 -42.2 32.8 4.8 8.8 22 22 A T H 45S+ 0 0 27 -6,-0.4 3,-0.4 -3,-0.3 -1,-0.2 0.850 113.0 43.1 -64.2 -36.6 33.5 2.2 11.5 23 23 A S H <5S+ 0 0 92 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.848 112.1 54.3 -75.9 -33.3 36.9 3.8 12.4 24 24 A K T <5S- 0 0 151 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.480 115.4-128.7 -75.1 -1.1 35.1 7.2 12.1 25 25 A N T 5S+ 0 0 104 -3,-0.4 -3,-0.2 2,-0.2 -2,-0.1 0.774 75.6 117.6 57.3 36.1 32.7 5.6 14.6 26 26 A Q S S- 0 0 47 5,-1.1 3,-1.3 1,-0.1 -1,-0.3 -0.861 74.0-123.0-115.4 148.7 23.1 -16.1 15.6 34 34 A E T 3 S+ 0 0 182 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.924 105.9 56.7 -43.8 -66.5 25.5 -18.8 14.4 35 35 A N T 3 S- 0 0 62 1,-0.1 -1,-0.2 2,-0.0 -32,-0.0 0.601 108.0-120.0 -45.1 -24.5 24.0 -19.4 10.9 36 36 A F S < S+ 0 0 29 -3,-1.3 -1,-0.1 2,-0.2 3,-0.1 0.913 77.6 118.6 79.9 46.6 24.4 -15.7 10.0 37 37 A T S S+ 0 0 34 1,-0.2 25,-3.0 -4,-0.1 2,-0.4 0.502 71.4 46.4-116.4 -9.6 20.8 -14.7 9.3 38 38 A E E + B 0 61A 45 -5,-0.3 -6,-1.5 23,-0.2 -5,-1.1 -0.930 63.1 174.4-138.5 113.4 20.4 -12.0 12.0 39 39 A L E -AB 31 60A 1 21,-2.6 21,-2.0 -2,-0.4 2,-0.5 -0.572 26.4-130.7-105.8 174.1 23.0 -9.3 12.7 40 40 A R E -AB 30 59A 97 -10,-3.4 -10,-2.2 -2,-0.2 2,-0.2 -0.980 25.3-166.8-127.9 115.5 22.8 -6.4 15.1 41 41 A G E -AB 29 58A 0 17,-2.5 17,-3.3 -2,-0.5 2,-0.3 -0.658 5.5-168.5-100.8 160.3 23.6 -3.0 13.6 42 42 A E E -AB 28 57A 29 -14,-2.0 -14,-1.9 15,-0.3 2,-0.3 -0.962 5.0-177.6-148.2 129.3 24.3 0.3 15.4 43 43 A I E -AB 27 56A 0 13,-2.2 13,-2.5 -2,-0.3 2,-0.4 -0.883 24.1-120.7-125.8 159.7 24.6 3.7 14.0 44 44 A A E - B 0 55A 14 -18,-2.6 11,-0.2 -2,-0.3 8,-0.1 -0.784 33.7-106.3 -99.8 141.3 25.4 7.1 15.5 45 45 A G - 0 0 5 9,-2.8 8,-0.5 6,-0.4 3,-0.1 -0.433 46.0-109.3 -61.0 136.4 23.0 10.0 15.3 46 46 A P - 0 0 16 0, 0.0 3,-0.5 0, 0.0 6,-0.2 -0.359 38.5-100.2 -66.6 150.3 24.4 12.4 12.7 47 47 A P S S+ 0 0 73 0, 0.0 4,-0.1 0, 0.0 5,-0.0 -0.051 104.3 34.2 -61.6 177.5 25.8 15.6 14.1 48 48 A D S S+ 0 0 163 1,-0.1 -3,-0.0 -3,-0.1 0, 0.0 0.791 101.2 97.3 43.7 38.7 23.6 18.8 13.9 49 49 A T S > S- 0 0 24 -3,-0.5 3,-3.5 -4,-0.1 -1,-0.1 -0.991 91.4-107.4-148.0 150.4 20.4 16.8 14.4 50 50 A P T 3 S+ 0 0 33 0, 0.0 99,-0.1 0, 0.0 -2,-0.1 0.721 120.8 63.4 -52.4 -14.6 18.2 16.0 17.4 51 51 A Y T > S+ 0 0 4 66,-0.2 3,-2.2 -5,-0.2 -6,-0.4 0.596 75.6 123.7 -84.7 -12.1 19.7 12.5 17.1 52 52 A E T < S+ 0 0 93 -3,-3.5 3,-0.1 1,-0.3 97,-0.0 -0.170 73.8 21.8 -50.4 138.1 23.2 13.8 17.8 53 53 A G T 3 S+ 0 0 42 -8,-0.5 -1,-0.3 1,-0.3 2,-0.1 0.036 99.9 119.6 89.5 -26.0 24.9 12.1 20.7 54 54 A G < - 0 0 1 -3,-2.2 -9,-2.8 -8,-0.1 2,-0.5 -0.421 51.4-154.7 -79.0 150.6 22.6 9.1 20.3 55 55 A R E -B 44 0A 79 98,-1.8 2,-0.4 -11,-0.2 -11,-0.2 -0.976 19.5-163.8-124.5 109.8 23.7 5.5 19.6 56 56 A Y E -B 43 0A 0 -13,-2.5 -13,-2.2 -2,-0.5 2,-0.4 -0.839 8.3-144.3-106.4 133.9 20.9 3.5 18.0 57 57 A Q E -B 42 0A 67 -2,-0.4 19,-3.2 -15,-0.2 20,-1.3 -0.755 12.3-161.0 -99.5 138.2 20.5 -0.3 17.6 58 58 A L E -BC 41 75A 0 -17,-3.3 -17,-2.5 -2,-0.4 2,-0.7 -0.928 15.7-138.6-119.9 138.4 19.0 -2.0 14.6 59 59 A E E -BC 40 74A 55 15,-2.9 15,-2.0 -2,-0.4 2,-0.6 -0.842 24.5-170.6 -93.6 113.5 17.7 -5.5 14.2 60 60 A I E +BC 39 73A 13 -21,-2.0 -21,-2.6 -2,-0.7 2,-0.4 -0.904 8.2 174.4-110.4 107.6 18.9 -6.9 10.8 61 61 A K E -BC 38 72A 91 11,-2.7 11,-1.4 -2,-0.6 -23,-0.2 -0.889 20.9-143.3-113.2 147.0 17.4 -10.1 9.6 62 62 A I - 0 0 11 -25,-3.0 4,-0.1 -2,-0.4 -2,-0.0 -0.925 14.5-148.4-110.0 120.3 17.9 -11.8 6.3 63 63 A P - 0 0 37 0, 0.0 3,-0.3 0, 0.0 6,-0.1 -0.251 29.4-101.1 -79.1 172.6 15.0 -13.6 4.6 64 64 A E S S+ 0 0 128 1,-0.3 2,-2.7 -61,-0.1 -60,-0.6 0.951 119.1 51.9 -61.2 -54.2 15.4 -16.7 2.4 65 65 A T S > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 -0.471 85.2 159.1 -79.6 70.4 15.0 -15.0 -1.0 66 66 A Y T 4 + 0 0 1 -2,-2.7 3,-0.2 -3,-0.3 -1,-0.2 0.984 54.3 40.2 -66.1 -83.7 17.8 -12.7 0.1 67 67 A P T 4 S+ 0 0 19 0, 0.0 37,-0.2 0, 0.0 -1,-0.1 0.822 125.6 41.2 -30.8 -52.0 19.7 -10.9 -2.6 68 68 A F T 4 S+ 0 0 150 2,-0.1 -2,-0.2 35,-0.1 32,-0.1 0.903 117.0 44.0 -68.7 -49.3 16.4 -10.4 -4.5 69 69 A N S < S- 0 0 92 -4,-2.2 29,-0.1 -3,-0.2 32,-0.0 -0.836 99.4-112.3 -95.1 138.4 14.0 -9.5 -1.6 70 70 A P - 0 0 17 0, 0.0 2,-0.2 0, 0.0 26,-0.1 -0.184 31.9 -95.7 -67.7 165.5 15.6 -7.0 0.8 71 71 A P - 0 0 1 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.530 39.5-114.5 -78.8 145.7 16.6 -7.8 4.3 72 72 A K E -C 61 0A 131 -11,-1.4 -11,-2.7 -2,-0.2 2,-0.4 -0.739 37.8-171.9 -85.5 124.2 14.0 -6.8 7.0 73 73 A V E +C 60 0A 13 -2,-0.5 18,-0.7 -13,-0.2 2,-0.3 -0.948 8.7 178.6-122.4 140.4 15.4 -4.1 9.3 74 74 A R E -CD 59 90A 97 -15,-2.0 -15,-2.9 -2,-0.4 2,-0.7 -0.950 32.4-116.4-135.8 154.1 13.9 -2.6 12.5 75 75 A F E -C 58 0A 8 14,-2.1 -17,-0.3 -2,-0.3 4,-0.1 -0.847 25.4-175.2 -92.9 116.9 15.1 -0.0 15.0 76 76 A I + 0 0 73 -19,-3.2 -1,-0.2 -2,-0.7 -18,-0.2 0.952 68.4 68.2 -75.1 -55.5 15.6 -1.7 18.4 77 77 A T S S- 0 0 20 -20,-1.3 2,-0.4 1,-0.1 76,-0.1 -0.460 102.4-102.1 -67.5 134.6 16.4 1.5 20.3 78 78 A K + 0 0 85 -2,-0.2 2,-0.3 74,-0.1 74,-0.2 -0.406 48.9 176.7 -66.5 117.4 13.3 3.7 20.6 79 79 A I - 0 0 2 -2,-0.4 2,-0.7 6,-0.3 10,-0.2 -0.908 27.8-141.5-122.6 147.8 13.5 6.5 18.1 80 80 A W + 0 0 0 -2,-0.3 5,-0.1 65,-0.1 69,-0.1 -0.923 49.2 130.3-110.3 105.8 11.0 9.3 17.3 81 81 A H B > -E 84 0B 2 3,-0.8 3,-2.7 -2,-0.7 50,-0.2 -0.970 65.6-116.1-161.4 138.8 11.0 9.9 13.6 82 82 A P T 3 S+ 0 0 0 0, 0.0 44,-2.3 0, 0.0 45,-2.0 0.815 115.8 44.8 -42.1 -42.2 8.6 10.2 10.7 83 83 A N T 3 S+ 0 0 1 42,-0.2 9,-1.4 43,-0.2 2,-0.4 0.222 105.9 66.9 -94.5 14.3 10.0 7.1 9.0 84 84 A I B < S-EF 81 91B 0 -3,-2.7 -3,-0.8 7,-0.2 7,-0.2 -0.962 88.0-112.0-138.7 122.9 10.2 4.9 12.1 85 85 A S >> - 0 0 17 5,-2.7 4,-1.7 -2,-0.4 3,-1.2 -0.251 21.6-143.8 -49.4 117.5 7.3 3.5 14.1 86 86 A S T 34 S+ 0 0 8 1,-0.2 -1,-0.2 2,-0.1 95,-0.0 0.499 97.9 32.3 -65.5 -1.8 7.5 5.2 17.5 87 87 A V T 34 S+ 0 0 91 3,-0.1 -1,-0.2 -9,-0.0 -2,-0.1 0.241 129.4 25.7-140.6 20.6 6.3 1.9 19.0 88 88 A T T <4 S- 0 0 66 -3,-1.2 -2,-0.1 2,-0.1 3,-0.1 0.404 88.7-122.1-152.9 -21.0 7.6 -1.0 17.0 89 89 A G < + 0 0 7 -4,-1.7 -14,-2.1 1,-0.3 2,-0.2 0.560 54.3 155.8 79.9 7.2 10.7 0.1 15.2 90 90 A A B -D 74 0A 23 -16,-0.2 -5,-2.7 36,-0.1 -1,-0.3 -0.511 30.5-148.1 -68.6 133.3 9.3 -0.7 11.7 91 91 A I B -F 84 0B 15 -18,-0.7 2,-0.4 -2,-0.2 -7,-0.2 -0.657 10.8-154.9-101.8 157.6 11.0 1.4 9.1 92 92 A C + 0 0 25 -9,-1.4 2,-0.3 -2,-0.2 29,-0.1 -0.864 34.3 141.4-135.8 99.2 9.6 2.8 5.8 93 93 A L > - 0 0 29 -2,-0.4 3,-1.0 1,-0.1 4,-0.2 -0.998 53.5-126.4-138.8 137.4 12.2 3.4 3.2 94 94 A D G > >S+ 0 0 78 -2,-0.3 3,-2.1 1,-0.3 5,-0.9 0.942 111.4 47.7 -47.8 -57.0 12.0 2.8 -0.6 95 95 A I G 3 5S+ 0 0 34 1,-0.3 -1,-0.3 4,-0.2 6,-0.2 0.735 107.5 56.5 -61.3 -21.5 15.1 0.6 -0.7 96 96 A L G < 5S+ 0 0 15 -3,-1.0 -1,-0.3 4,-0.1 -2,-0.2 0.313 122.0 25.4 -92.0 9.4 14.0 -1.5 2.3 97 97 A K T < 5S- 0 0 120 -3,-2.1 3,-0.3 -4,-0.2 -3,-0.1 0.179 133.9 -25.7-129.3-107.5 10.8 -2.3 0.4 98 98 A D T 5S+ 0 0 132 1,-0.2 -3,-0.1 -29,-0.1 -4,-0.1 0.854 122.9 65.3 -89.6 -41.0 10.4 -2.4 -3.3 99 99 A Q S - 0 0 39 -6,-0.2 3,-1.0 1,-0.1 -1,-0.1 -0.862 19.8-111.6-133.2 165.5 18.3 -3.7 -5.5 102 102 A A T 3 S+ 0 0 71 -2,-0.3 2,-0.9 1,-0.3 -1,-0.1 0.975 112.2 26.9 -49.6 -77.5 20.5 -6.6 -6.5 103 103 A A T 3 S+ 0 0 78 2,-0.0 2,-0.7 -35,-0.0 -1,-0.3 -0.289 78.8 144.5 -89.6 49.7 23.8 -5.5 -5.2 104 104 A M < - 0 0 36 -3,-1.0 2,-0.1 -2,-0.9 5,-0.0 -0.793 43.0-139.4 -88.0 121.5 22.8 -3.2 -2.4 105 105 A T > - 0 0 29 -2,-0.7 4,-1.3 1,-0.1 3,-0.2 -0.417 15.5-123.0 -79.7 156.1 25.4 -3.6 0.3 106 106 A L H > S+ 0 0 9 1,-0.2 4,-3.0 2,-0.2 3,-0.4 0.901 118.7 56.3 -60.3 -41.9 24.7 -3.7 4.0 107 107 A R H > S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.840 103.9 53.5 -58.1 -33.6 27.1 -0.8 4.3 108 108 A T H > S+ 0 0 53 2,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.807 111.1 47.0 -69.6 -31.7 24.8 1.0 1.8 109 109 A V H X S+ 0 0 8 -4,-1.3 4,-2.5 -3,-0.4 5,-0.2 0.917 111.0 49.0 -76.0 -47.9 21.9 0.3 4.1 110 110 A L H X S+ 0 0 9 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.881 115.6 44.3 -61.7 -38.0 23.5 1.4 7.3 111 111 A L H X S+ 0 0 42 -4,-1.9 4,-2.9 -5,-0.2 -1,-0.2 0.888 110.7 56.0 -72.3 -38.0 24.7 4.6 5.7 112 112 A S H X S+ 0 0 41 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.906 108.9 45.7 -59.0 -46.2 21.3 5.1 4.1 113 113 A L H X S+ 0 0 1 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.868 111.4 52.8 -65.1 -38.0 19.5 4.9 7.5 114 114 A Q H X S+ 0 0 24 -4,-1.6 4,-0.8 -5,-0.2 3,-0.3 0.940 110.2 47.9 -63.0 -44.9 22.1 7.3 9.0 115 115 A A H >X S+ 0 0 60 -4,-2.9 3,-1.3 1,-0.2 4,-1.0 0.903 104.7 60.3 -61.9 -40.9 21.4 9.7 6.2 116 116 A L H >< S+ 0 0 12 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.892 97.1 60.1 -53.4 -40.7 17.7 9.3 6.8 117 117 A L H 3< S+ 0 0 5 -4,-1.7 3,-0.3 -3,-0.3 -1,-0.3 0.822 103.1 52.2 -57.1 -31.5 18.3 10.6 10.3 118 118 A A H << S+ 0 0 62 -3,-1.3 -1,-0.3 -4,-0.8 2,-0.2 0.723 127.1 15.6 -77.7 -23.2 19.6 13.8 8.8 119 119 A A S << S- 0 0 55 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.1 -0.717 77.3-148.2-157.6 100.0 16.5 14.3 6.6 120 120 A A - 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