==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 06-JUL-07 2Z5D . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 H; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.BOCHKAREV,H.CUI,J.R.WALKER,E.M.NEWMAN,F.MACKENZIE,K.P.BATT . 303 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 66.3 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 . 50 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 11 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 2 1 1 4 0 2 0 0 0 0 1 3 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 . 6 0 0 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 23 A P 0 0 143 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.0 45.8 58.5 7.0 2 24 A S > - 0 0 67 1,-0.1 4,-3.0 4,-0.0 5,-0.2 -0.114 360.0-109.7 -59.3 157.7 43.4 58.2 10.0 3 25 A P H > S+ 0 0 104 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.879 123.1 53.3 -52.2 -39.5 39.7 59.1 9.8 4 26 A G H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.891 110.3 45.7 -63.0 -41.2 40.7 62.1 12.1 5 27 A K H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.901 110.7 52.2 -71.9 -42.3 43.4 63.2 9.7 6 28 A R H X S+ 0 0 173 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.910 110.9 49.6 -59.2 -41.9 41.1 62.9 6.7 7 29 A R H X S+ 0 0 63 -4,-2.1 4,-3.4 -5,-0.2 5,-0.3 0.911 107.0 54.8 -63.0 -44.9 38.6 65.0 8.5 8 30 A M H X S+ 0 0 16 -4,-2.3 4,-2.8 50,-0.2 5,-0.2 0.948 112.6 42.2 -48.9 -55.7 41.2 67.7 9.3 9 31 A D H X S+ 0 0 47 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.921 117.9 45.1 -63.5 -44.3 42.2 68.1 5.7 10 32 A T H X S+ 0 0 67 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.913 115.4 48.2 -63.3 -47.8 38.6 68.0 4.4 11 33 A D H X S+ 0 0 11 -4,-3.4 4,-2.1 -5,-0.2 -2,-0.2 0.928 113.7 45.9 -58.6 -49.5 37.4 70.4 7.1 12 34 A V H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.3 -2,-0.2 0.900 112.8 48.8 -67.7 -40.6 40.3 72.9 6.6 13 35 A I H X S+ 0 0 85 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.917 110.6 52.5 -62.6 -42.2 39.9 72.9 2.8 14 36 A K H X S+ 0 0 107 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.910 111.1 46.9 -57.7 -44.1 36.2 73.4 3.3 15 37 A L H >< S+ 0 0 0 -4,-2.1 3,-0.6 2,-0.2 5,-0.4 0.930 110.4 52.1 -65.2 -44.8 37.0 76.4 5.5 16 38 A I H 3< S+ 0 0 67 -4,-3.0 6,-0.2 1,-0.2 -2,-0.2 0.902 110.5 48.9 -56.9 -42.5 39.6 77.8 3.0 17 39 A E H 3< S+ 0 0 156 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.695 97.6 90.5 -73.9 -20.3 36.9 77.6 0.2 18 40 A S S << S- 0 0 29 -4,-1.1 -3,-0.0 -3,-0.6 0, 0.0 -0.055 101.6 -92.8 -63.6 174.7 34.3 79.4 2.4 19 41 A K S S+ 0 0 160 2,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.597 98.0 104.1 -66.7 -10.1 33.8 83.1 2.4 20 42 A H S S- 0 0 27 -5,-0.4 2,-0.7 1,-0.1 15,-0.1 -0.563 76.9-124.9 -82.1 138.8 36.2 83.3 5.4 21 43 A E - 0 0 99 13,-0.5 13,-1.8 -2,-0.2 2,-0.4 -0.759 33.1-165.4 -90.8 113.7 39.8 84.5 4.5 22 44 A V E -A 33 0A 32 -2,-0.7 2,-0.5 -6,-0.2 11,-0.2 -0.848 18.8-168.6-112.1 131.7 42.3 81.9 5.7 23 45 A T E -A 32 0A 93 9,-3.2 9,-2.8 -2,-0.4 2,-0.4 -0.967 20.1-143.6-113.2 125.8 46.1 82.1 6.2 24 46 A I E -A 31 0A 77 -2,-0.5 7,-0.2 7,-0.2 4,-0.1 -0.725 17.8-175.4 -92.9 134.6 47.8 78.7 6.7 25 47 A L E - 0 0 82 5,-3.0 -1,-0.1 2,-0.6 6,-0.1 0.631 68.6 -13.4 -95.3-109.1 50.8 78.6 9.2 26 48 A G E S- 0 0 68 1,-0.1 2,-0.3 2,-0.0 5,-0.1 0.763 125.4 -48.5 -64.0 -26.6 52.9 75.5 9.7 27 49 A G E > S-A 30 0A 26 3,-0.6 3,-1.7 0, 0.0 -2,-0.6 -0.940 84.7 -51.0 173.0-169.7 50.4 73.2 8.0 28 50 A L T 3 S+ 0 0 46 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.650 123.9 68.5 -70.5 -11.6 46.6 72.6 8.0 29 51 A N T 3 S+ 0 0 54 1,-0.2 25,-2.6 24,-0.1 2,-0.3 0.412 103.6 45.2 -82.7 4.4 46.6 72.1 11.8 30 52 A E E < +AB 27 53A 67 -3,-1.7 -5,-3.0 23,-0.2 -3,-0.6 -0.903 69.9 145.3-148.8 114.9 47.3 75.9 12.3 31 53 A F E -AB 24 52A 0 21,-2.3 21,-3.0 -2,-0.3 2,-0.4 -0.943 33.7-137.1-144.3 167.9 45.7 78.7 10.4 32 54 A V E -AB 23 51A 21 -9,-2.8 -9,-3.2 -2,-0.3 2,-0.4 -0.979 15.1-161.0-130.7 140.2 44.5 82.3 11.0 33 55 A V E -AB 22 50A 0 17,-2.6 17,-2.5 -2,-0.4 2,-0.4 -0.974 21.8-123.5-124.7 134.4 41.2 83.7 9.8 34 56 A K E - B 0 49A 48 -13,-1.8 -13,-0.5 -2,-0.4 2,-0.4 -0.649 36.5-169.5 -72.7 125.7 40.3 87.4 9.4 35 57 A F E - B 0 48A 10 13,-2.8 13,-2.6 -2,-0.4 2,-0.4 -0.979 12.1-148.9-129.1 133.5 37.2 87.9 11.6 36 58 A Y E - B 0 47A 108 -2,-0.4 11,-0.2 11,-0.2 8,-0.1 -0.848 29.5-105.3-106.6 133.5 34.9 90.9 11.7 37 59 A G - 0 0 10 9,-2.4 8,-0.5 -2,-0.4 2,-0.1 -0.258 47.1-101.2 -56.9 136.5 33.1 92.1 14.8 38 60 A P > - 0 0 24 0, 0.0 3,-1.1 0, 0.0 6,-0.4 -0.382 39.0-104.5 -68.1 140.9 29.3 91.2 14.6 39 61 A Q T 3 S+ 0 0 171 1,-0.2 4,-0.1 4,-0.1 72,-0.0 -0.285 102.6 26.6 -63.5 142.7 26.9 94.0 13.7 40 62 A G T 3 S+ 0 0 72 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 0.671 103.2 97.0 78.6 17.2 24.8 95.4 16.4 41 63 A T S X S- 0 0 18 -3,-1.1 3,-1.7 -4,-0.0 -1,-0.3 -0.860 91.7-105.3-124.1 163.9 27.4 94.5 19.1 42 64 A P T 3 S+ 0 0 18 0, 0.0 -5,-0.1 0, 0.0 69,-0.1 0.760 119.7 64.2 -60.2 -21.9 30.1 96.7 20.7 43 65 A Y T > S+ 0 0 0 -5,-0.2 3,-2.7 67,-0.1 -6,-0.4 0.553 72.3 122.5 -73.9 -11.4 32.6 94.7 18.5 44 66 A E T < S+ 0 0 87 -3,-1.7 3,-0.1 -6,-0.4 -5,-0.1 -0.270 74.0 27.9 -56.1 135.8 31.0 96.0 15.3 45 67 A G T 3 S+ 0 0 65 -8,-0.5 -1,-0.3 1,-0.3 2,-0.1 0.109 96.0 120.3 96.6 -23.4 33.8 97.7 13.3 46 68 A G < - 0 0 1 -3,-2.7 -9,-2.4 -8,-0.1 2,-0.4 -0.414 45.4-160.5 -77.9 153.9 36.5 95.6 14.8 47 69 A V E +B 36 0A 6 99,-2.1 2,-0.3 -11,-0.2 -11,-0.2 -0.999 14.3 180.0-133.0 132.8 38.8 93.3 12.8 48 70 A W E -B 35 0A 4 -13,-2.6 -13,-2.8 -2,-0.4 2,-0.6 -0.950 30.7-132.8-133.1 154.9 40.8 90.5 14.3 49 71 A K E -B 34 0A 86 -2,-0.3 19,-3.5 -15,-0.2 2,-0.6 -0.954 29.4-164.1-104.6 114.8 43.2 87.8 13.3 50 72 A V E -BC 33 67A 0 -17,-2.5 -17,-2.6 -2,-0.6 2,-0.4 -0.915 3.8-153.2-108.5 117.6 41.9 84.6 14.9 51 73 A R E -BC 32 66A 101 15,-3.0 15,-2.6 -2,-0.6 2,-0.4 -0.790 8.3-166.5 -93.2 133.2 44.3 81.8 15.1 52 74 A V E -BC 31 65A 0 -21,-3.0 -21,-2.3 -2,-0.4 2,-0.4 -0.985 2.8-170.3-119.5 128.0 43.0 78.2 15.2 53 75 A D E -BC 30 64A 38 11,-1.8 11,-2.2 -2,-0.4 -23,-0.2 -0.971 12.8-146.6-114.8 133.0 45.1 75.2 16.2 54 76 A L - 0 0 8 -25,-2.6 8,-0.1 -2,-0.4 -25,-0.0 -0.881 16.9-131.1-100.0 126.9 43.8 71.7 15.7 55 77 A P > - 0 0 34 0, 0.0 3,-2.0 0, 0.0 6,-0.1 -0.330 26.0-109.1 -68.4 155.3 44.9 69.1 18.2 56 78 A D T 3 S+ 0 0 148 1,-0.3 -52,-0.0 3,-0.0 -2,-0.0 0.811 121.0 57.5 -50.6 -31.2 46.3 65.7 17.0 57 79 A K T >> S+ 0 0 134 5,-0.1 3,-1.4 2,-0.1 4,-1.3 0.269 90.9 171.3 -88.4 12.0 43.0 64.2 18.3 58 80 A Y T <4 + 0 0 2 -3,-2.0 -50,-0.2 1,-0.3 -51,-0.1 -0.366 55.0 22.0 -56.4 143.5 40.8 66.4 16.2 59 81 A P T 34 S+ 0 0 7 0, 0.0 -1,-0.3 0, 0.0 37,-0.2 -0.959 123.8 53.4 -92.3 7.6 37.8 66.3 15.7 60 82 A F T <4 S+ 0 0 157 -3,-1.4 2,-0.4 34,-0.1 -2,-0.2 0.859 114.6 49.3 -63.4 -41.3 37.2 64.3 18.9 61 83 A K S < S- 0 0 111 -4,-1.3 32,-0.1 -6,-0.1 -1,-0.0 -0.864 99.4-116.4 -98.0 138.4 39.1 67.1 20.7 62 84 A S - 0 0 11 -2,-0.4 -5,-0.1 1,-0.1 27,-0.1 -0.283 28.4-103.0 -68.5 154.1 38.0 70.7 19.9 63 85 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.322 31.8-123.4 -64.3 157.3 40.2 73.3 18.2 64 86 A S E -C 53 0A 53 -11,-2.2 -11,-1.8 24,-0.0 2,-0.4 -0.844 25.8-155.9 -97.9 148.9 41.8 75.9 20.3 65 87 A I E +C 52 0A 4 18,-0.4 18,-3.2 -2,-0.4 2,-0.4 -0.993 14.2 175.6-133.8 128.7 41.0 79.5 19.3 66 88 A G E -CD 51 82A 7 -15,-2.6 -15,-3.0 -2,-0.4 2,-0.6 -0.998 28.9-132.4-137.2 140.1 43.0 82.7 20.0 67 89 A F E -C 50 0A 3 14,-2.6 -17,-0.2 -2,-0.4 4,-0.2 -0.836 15.5-161.0 -90.2 123.3 42.7 86.3 19.0 68 90 A M S S+ 0 0 81 -19,-3.5 2,-0.3 -2,-0.6 -1,-0.2 0.817 78.7 50.9 -82.1 -29.2 46.1 87.4 17.9 69 91 A N S S- 0 0 20 -20,-0.6 77,-0.1 1,-0.1 76,-0.1 -0.806 110.4 -79.8-105.4 150.2 45.3 91.0 18.3 70 92 A K + 0 0 60 -2,-0.3 2,-0.3 75,-0.1 75,-0.1 -0.094 48.2 178.7 -62.2 140.5 43.8 92.2 21.6 71 93 A I - 0 0 1 7,-0.3 2,-0.6 -4,-0.2 10,-0.1 -0.994 23.0-141.4-137.9 147.8 40.2 91.8 22.5 72 94 A F + 0 0 1 -2,-0.3 5,-0.1 66,-0.1 3,-0.0 -0.928 45.8 132.7-110.3 111.7 38.2 92.7 25.6 73 95 A H B > -E 76 0B 0 -2,-0.6 3,-1.7 3,-0.5 50,-0.2 -0.959 61.1-120.3-160.7 140.9 35.6 90.1 26.4 74 96 A P T 3 S+ 0 0 0 0, 0.0 46,-2.3 0, 0.0 45,-2.3 0.792 112.0 41.3 -56.8 -31.0 34.6 88.2 29.5 75 97 A N T 3 S+ 0 0 4 43,-0.2 9,-2.6 44,-0.2 2,-0.5 0.143 100.9 79.8-108.1 19.9 35.4 84.7 28.1 76 98 A I B < S-EF 73 83B 0 -3,-1.7 -3,-0.5 7,-0.2 2,-0.4 -0.991 83.3-122.9-128.8 119.9 38.7 85.5 26.3 77 99 A D > - 0 0 58 5,-2.4 4,-2.9 -2,-0.5 5,-0.4 -0.499 24.2-148.9 -58.8 115.1 41.9 85.8 28.3 78 100 A E T 4 S+ 0 0 46 -2,-0.4 -7,-0.3 41,-0.3 -1,-0.2 0.895 87.9 48.0 -58.4 -49.4 43.0 89.3 27.5 79 101 A A T 4 S+ 0 0 91 1,-0.2 -1,-0.2 -9,-0.1 -2,-0.1 0.835 126.8 26.0 -66.5 -36.5 46.8 88.9 27.6 80 102 A S T 4 S- 0 0 57 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.707 94.3-132.4 -97.5 -27.0 46.9 85.7 25.5 81 103 A G < + 0 0 2 -4,-2.9 -14,-2.6 1,-0.3 2,-0.3 0.460 51.8 154.4 83.4 3.7 43.8 86.2 23.4 82 104 A T B -D 66 0A 66 -5,-0.4 -5,-2.4 -16,-0.3 2,-0.3 -0.508 42.0-131.4 -76.2 126.9 42.8 82.6 24.1 83 105 A V B -F 76 0B 2 -18,-3.2 -18,-0.4 -2,-0.3 -7,-0.2 -0.569 38.4 -92.4 -74.3 132.1 39.1 81.7 24.0 84 106 A C > - 0 0 19 -9,-2.6 4,-2.2 -2,-0.3 3,-0.2 -0.242 30.7-149.3 -47.5 118.5 37.8 79.7 27.1 85 107 A L H > S+ 0 0 90 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.848 96.0 58.3 -67.2 -37.1 38.1 76.0 26.2 86 108 A D H > S+ 0 0 113 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.902 108.0 47.4 -56.2 -40.5 35.1 75.1 28.4 87 109 A V H >> S+ 0 0 18 -3,-0.2 4,-0.6 2,-0.2 3,-0.6 0.941 112.0 48.6 -68.8 -44.5 33.0 77.5 26.3 88 110 A I H >X S+ 0 0 6 -4,-2.2 4,-2.7 1,-0.2 3,-1.6 0.947 110.1 53.8 -58.4 -45.3 34.3 76.1 23.0 89 111 A N H 3< S+ 0 0 77 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.727 96.7 64.4 -64.5 -23.2 33.6 72.6 24.3 90 112 A Q H << S+ 0 0 112 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.698 117.7 28.2 -68.5 -21.3 30.0 73.4 25.1 91 113 A T H << S+ 0 0 55 -3,-1.6 -2,-0.2 -4,-0.6 -1,-0.2 0.719 101.2 96.0-107.2 -36.5 29.5 73.9 21.3 92 114 A W < + 0 0 22 -4,-2.7 2,-0.3 -5,-0.2 -30,-0.1 -0.280 42.3 165.9 -68.1 139.5 32.0 71.6 19.8 93 115 A T > - 0 0 73 -32,-0.1 3,-1.3 -34,-0.0 -32,-0.1 -0.936 51.7-100.3-136.7 170.6 31.2 68.1 18.6 94 116 A A T 3 S+ 0 0 38 -2,-0.3 -34,-0.1 1,-0.3 -33,-0.1 0.599 125.0 39.3 -64.1 -13.3 33.0 65.5 16.4 95 117 A L T 3 S+ 0 0 145 -35,-0.1 -1,-0.3 2,-0.1 -35,-0.1 0.353 83.9 129.9-117.3 0.6 30.8 66.5 13.5 96 118 A Y < - 0 0 37 -3,-1.3 2,-0.7 -37,-0.2 -4,-0.1 -0.270 65.3-112.4 -59.8 139.0 30.6 70.3 14.1 97 119 A D > - 0 0 66 1,-0.2 3,-2.0 2,-0.0 4,-0.5 -0.648 15.0-147.2 -81.5 112.1 31.4 72.3 11.0 98 120 A L T > S+ 0 0 0 -2,-0.7 3,-1.3 1,-0.3 4,-0.5 0.797 98.7 61.6 -42.0 -40.2 34.7 74.2 11.4 99 121 A T T >> S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 3,-1.1 0.830 93.3 65.9 -60.0 -32.8 33.3 77.1 9.2 100 122 A N H <>>S+ 0 0 58 -3,-2.0 5,-3.0 1,-0.3 4,-2.2 0.648 83.1 73.5 -67.8 -17.6 30.6 77.6 11.9 101 123 A I H <4>S+ 0 0 4 -3,-1.3 5,-3.0 -4,-0.5 -1,-0.3 0.914 111.6 29.2 -53.3 -42.2 33.3 78.7 14.4 102 124 A F H <45S+ 0 0 4 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.831 126.7 43.2 -91.4 -33.3 33.4 81.9 12.4 103 125 A E H <5S+ 0 0 83 -4,-2.0 -3,-0.2 3,-0.1 -2,-0.2 0.777 136.6 0.2 -79.7 -33.3 29.8 82.0 11.2 104 126 A S T X5S+ 0 0 32 -4,-2.2 4,-2.0 -5,-0.2 5,-0.2 0.684 123.3 51.9-127.4 -57.4 28.1 81.0 14.3 105 127 A F H > S+ 0 0 28 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.914 113.5 45.4 -59.1 -40.0 29.6 85.9 16.6 108 130 A Q H X S+ 0 0 121 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.859 111.4 52.1 -71.1 -35.3 27.3 84.5 19.2 109 131 A L H < S+ 0 0 12 -4,-2.1 -1,-0.2 -5,-0.2 -3,-0.2 0.933 112.7 45.0 -64.9 -45.7 30.0 84.5 21.9 110 132 A L H < S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.881 116.5 45.7 -66.1 -37.0 30.9 88.2 21.3 111 133 A A H < S+ 0 0 28 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.893 128.6 24.1 -71.5 -40.6 27.2 89.2 21.2 112 134 A Y S < S- 0 0 152 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.1 -0.827 79.1-172.8-131.4 85.6 26.3 87.2 24.3 113 135 A P - 0 0 8 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.333 27.7-125.2 -70.0 165.0 29.1 86.5 26.7 114 136 A N - 0 0 28 1,-0.1 10,-0.1 2,-0.1 -27,-0.0 -0.922 25.0-173.0-106.0 100.0 28.9 84.3 29.8 115 137 A P + 0 0 12 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.479 57.3 93.9 -78.7 -0.5 30.1 86.6 32.6 116 138 A I S S+ 0 0 50 1,-0.2 -2,-0.1 115,-0.1 5,-0.0 -0.771 99.7 5.2 -91.2 129.3 30.0 83.8 35.2 117 139 A D S S- 0 0 143 -2,-0.4 -1,-0.2 1,-0.1 -3,-0.1 0.943 97.5-174.0 63.3 47.0 33.4 82.1 35.7 118 140 A P - 0 0 43 0, 0.0 -43,-0.2 0, 0.0 3,-0.2 -0.270 38.0-146.8 -76.4 159.3 35.1 84.6 33.3 119 141 A L S S+ 0 0 70 -45,-2.3 2,-0.4 1,-0.2 -41,-0.3 0.553 102.3 46.7 -90.7 -19.0 38.6 84.6 31.9 120 142 A N > + 0 0 10 -46,-2.3 4,-2.3 -43,-0.2 -1,-0.2 -0.867 68.3 179.0-123.4 93.1 38.5 88.4 31.9 121 143 A G H > S+ 0 0 44 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.847 82.7 55.5 -61.0 -40.6 37.0 89.5 35.3 122 144 A D H > S+ 0 0 70 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 110.3 44.2 -55.2 -52.6 37.3 93.2 34.4 123 145 A A H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.898 113.2 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29.2-123.6 -67.9 163.0 18.6 93.9 35.7 215 86 B S E -I 204 0C 30 -11,-2.2 -11,-2.0 -87,-0.2 2,-0.4 -0.821 28.3-158.3-105.4 151.8 20.3 90.9 34.1 216 87 B I E +I 203 0C 4 18,-0.4 18,-2.9 -2,-0.3 2,-0.4 -0.999 12.4 179.1-139.2 128.7 19.1 87.6 35.5 217 88 B G E -IJ 202 233C 8 -15,-2.6 -15,-2.9 -2,-0.4 2,-0.6 -0.999 27.5-130.7-135.9 140.7 20.8 84.2 35.4 218 89 B F E -I 201 0C 4 14,-3.0 -17,-0.2 -2,-0.4 4,-0.1 -0.785 16.4-162.8 -87.2 119.0 19.9 80.8 36.7 219 90 B M S S+ 0 0 71 -19,-3.4 2,-0.3 -2,-0.6 -1,-0.1 0.773 76.8 47.5 -81.6 -25.3 22.9 79.5 38.7 220 91 B N S S- 0 0 20 -20,-0.6 77,-0.1 1,-0.1 76,-0.1 -0.859 110.6 -78.9-111.0 154.3 21.7 75.8 38.7 221 92 B K + 0 0 64 -2,-0.3 2,-0.3 75,-0.1 75,-0.1 -0.090 49.4 176.3 -66.8 145.5 20.6 74.3 35.4 222 93 B I - 0 0 2 7,-0.3 2,-0.7 -4,-0.1 10,-0.1 -0.992 25.1-138.6-141.8 147.2 17.1 74.9 34.0 223 94 B F + 0 0 2 -2,-0.3 5,-0.1 66,-0.1 70,-0.0 -0.913 47.4 132.3-108.8 108.4 15.5 73.8 30.7 224 95 B H B > -K 227 0D 0 -2,-0.7 3,-1.6 3,-0.5 50,-0.2 -0.968 60.5-119.9-157.4 142.3 13.5 76.7 29.2 225 96 B P T 3 S+ 0 0 3 0, 0.0 46,-2.1 0, 0.0 45,-2.1 0.737 111.9 42.2 -54.7 -32.9 13.2 78.2 25.7 226 97 B N T 3 S+ 0 0 0 43,-0.2 9,-2.9 44,-0.2 2,-0.5 0.229 101.5 81.1-105.2 13.6 14.2 81.8 26.8 227 98 B I B < S-KL 224 234D 0 -3,-1.6 -3,-0.5 7,-0.2 2,-0.3 -0.978 81.4-124.6-124.3 122.8 17.0 80.7 29.1 228 99 B D > - 0 0 55 5,-2.6 4,-2.4 -2,-0.5 5,-0.2 -0.480 21.4-148.1 -64.0 120.1 20.5 79.8 27.8 229 100 B E T 4 S+ 0 0 49 41,-0.4 -7,-0.3 -2,-0.3 -1,-0.2 0.915 89.3 45.8 -62.5 -44.3 21.1 76.3 29.2 230 101 B A T 4 S+ 0 0 45 1,-0.2 -1,-0.2 -9,-0.1 -2,-0.1 0.887 127.0 25.3 -68.2 -41.9 24.9 76.5 29.6 231 102 B S T 4 S- 0 0 15 2,-0.1 -1,-0.2 -118,-0.0 -2,-0.2 0.637 94.6-129.5 -99.1 -17.9 25.1 79.9 31.3 232 103 B G < + 0 0 5 -4,-2.4 -14,-3.0 1,-0.2 2,-0.2 0.507 50.8 159.7 81.0 2.9 21.6 80.1 32.8 233 104 B T B -J 217 0C 47 -16,-0.3 -5,-2.6 -5,-0.2 2,-0.4 -0.436 36.6-137.7 -68.7 126.3 21.2 83.6 31.3 234 105 B V B -L 227 0D 2 -18,-2.9 -18,-0.4 -7,-0.2 -7,-0.2 -0.694 39.0 -92.8 -78.7 129.9 17.6 84.8 30.9 235 106 B C > - 0 0 10 -9,-2.9 4,-2.6 -2,-0.4 5,-0.2 -0.168 30.9-151.4 -43.8 116.6 17.0 86.5 27.5 236 107 B L H > S+ 0 0 76 1,-0.2 4,-3.0 2,-0.2 -1,-0.1 0.862 95.7 56.3 -67.7 -34.6 17.6 90.2 28.0 237 108 B D H > S+ 0 0 91 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.894 108.7 47.5 -58.6 -44.4 15.1 91.1 25.2 238 109 B V H > S+ 0 0 4 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.936 112.5 49.6 -62.5 -47.2 12.4 89.1 27.1 239 110 B I H >X S+ 0 0 5 -4,-2.6 4,-2.8 1,-0.2 3,-1.2 0.952 108.6 53.3 -51.0 -51.7 13.3 90.9 30.3 240 111 B N H 3< S+ 0 0 79 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.811 99.3 62.3 -60.2 -31.6 13.2 94.3 28.6 241 112 B Q H 3< S+ 0 0 128 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.805 117.4 29.5 -60.4 -32.4 9.6 93.6 27.3 242 113 B T H << S+ 0 0 56 -3,-1.2 -2,-0.2 -4,-0.9 -1,-0.2 0.771 101.0 96.9 -96.0 -31.9 8.4 93.4 31.0 243 114 B W < + 0 0 24 -4,-2.8 2,-0.3 -5,-0.2 -30,-0.1 -0.315 44.7 167.9 -60.7 136.2 10.9 95.8 32.7 244 115 B T > - 0 0 76 -32,-0.1 3,-1.1 -2,-0.1 -32,-0.1 -0.909 51.0-101.3-135.5 173.7 9.9 99.4 33.3 245 116 B A T 3 S+ 0 0 35 -2,-0.3 -34,-0.1 1,-0.3 -33,-0.1 0.655 124.5 46.9 -67.7 -16.6 11.5 102.1 35.4 246 117 B L T 3 S+ 0 0 148 -35,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.416 85.9 107.9-104.3 -2.9 8.8 101.5 38.1 247 118 B Y < - 0 0 40 -3,-1.1 2,-0.2 -37,-0.2 -4,-0.0 -0.475 56.8-157.7 -68.0 143.8 9.2 97.7 38.1 248 119 B D > - 0 0 41 -2,-0.1 4,-0.5 1,-0.1 -2,-0.1 -0.690 26.5-103.7-120.7-176.9 10.9 96.4 41.2 249 120 B L H >> S+ 0 0 1 -2,-0.2 4,-1.1 2,-0.2 3,-0.8 0.824 111.9 61.7 -80.1 -35.8 12.9 93.4 42.3 250 121 B T H >> S+ 0 0 24 1,-0.3 4,-2.1 2,-0.2 3,-0.6 0.912 104.3 53.1 -59.3 -38.8 10.3 91.6 44.4 251 122 B N H 3>>S+ 0 0 50 1,-0.2 5,-2.5 2,-0.2 4,-2.1 0.700 94.3 67.4 -69.4 -20.4 8.2 91.4 41.2 252 123 B I H <<>S+ 0 0 2 -3,-0.8 5,-3.0 -4,-0.5 -1,-0.2 0.936 114.7 32.0 -57.9 -38.7 11.0 89.8 39.2 253 124 B F H <<5S+ 0 0 6 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.798 126.9 39.9 -93.1 -29.1 10.4 86.9 41.6 254 125 B E H <5S+ 0 0 86 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.731 135.4 6.0 -90.3 -26.8 6.6 87.2 42.2 255 126 B S T X5S+ 0 0 48 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.728 123.4 47.5-121.5 -62.7 5.5 88.1 38.7 256 127 B F H > S+ 0 0 23 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.889 113.7 48.6 -62.1 -34.4 6.7 82.7 37.3 259 130 B Q H X S+ 0 0 120 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.898 112.9 48.4 -70.0 -39.0 4.9 84.1 34.3 260 131 B L H < S+ 0 0 10 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.2 0.889 111.0 49.0 -63.4 -40.9 7.8 83.4 32.0 261 132 B L H < S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.862 115.5 45.5 -69.2 -34.9 8.2 79.8 33.3 262 133 B A H < S+ 0 0 27 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.865 128.1 25.2 -68.2 -38.4 4.4 79.3 32.8 263 134 B Y S < S- 0 0 160 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.793 78.5-148.2-136.5 89.6 4.5 80.9 29.3 264 135 B P - 0 0 16 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.241 27.1-114.7 -52.6 146.6 7.7 80.9 27.3 265 136 B N - 0 0 38 1,-0.1 -27,-0.1 3,-0.1 -5,-0.0 -0.653 9.1-134.6 -89.9 137.7 8.1 83.9 25.0 266 137 B P + 0 0 124 0, 0.0 -1,-0.1 0, 0.0 9,-0.0 0.466 67.6 120.9 -75.7 -2.8 8.2 83.5 21.2 267 138 B I S S- 0 0 35 1,-0.2 3,-0.1 -32,-0.0 -32,-0.1 -0.305 92.1 -66.6 -48.3 147.0 11.2 85.7 20.9 268 139 B D S S- 0 0 144 1,-0.1 -1,-0.2 2,-0.1 -3,-0.1 -0.149 70.6-115.1 -44.4 122.9 14.0 83.8 19.2 269 140 B P - 0 0 56 0, 0.0 3,-0.3 0, 0.0 -43,-0.2 -0.308 17.9-153.6 -71.4 150.3 14.9 81.1 21.8 270 141 B L S S+ 0 0 61 -45,-2.1 2,-0.4 1,-0.3 -41,-0.4 0.620 99.8 46.3 -87.4 -20.1 18.1 80.8 23.7 271 142 B N > + 0 0 10 -46,-2.1 4,-2.4 -43,-0.2 -1,-0.3 -0.837 68.0 177.5-124.3 90.3 17.3 77.1 24.1 272 143 B G H > S+ 0 0 44 -2,-0.4 4,-2.6 -3,-0.3 5,-0.2 0.818 82.7 54.1 -56.2 -40.9 16.2 75.8 20.6 273 144 B D H > S+ 0 0 107 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.847 110.9 46.4 -62.7 -41.5 15.8 72.2 21.9 274 145 B A H > S+ 0 0 0 2,-0.2 4,-2.9 -50,-0.2 -2,-0.2 0.903 112.9 50.2 -68.7 -39.9 13.5 73.5 24.6 275 146 B A H X S+ 0 0 14 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.933 110.2 49.0 -63.8 -46.8 11.6 75.7 22.1 276 147 B A H X S+ 0 0 40 -4,-2.6 4,-1.9 1,-0.2 5,-0.5 0.908 115.6 43.4 -60.9 -44.2 11.1 72.8 19.7 277 148 B M H X S+ 0 0 11 -4,-1.8 4,-2.3 2,-0.2 8,-0.4 0.925 111.8 53.6 -66.6 -48.7 9.8 70.4 22.4 278 149 B Y H < S+ 0 0 76 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.905 117.6 37.9 -48.6 -46.3 7.6 73.1 24.0 279 150 B L H < S+ 0 0 112 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.773 134.4 16.1 -79.0 -32.9 5.9 73.8 20.7 280 151 B H H < S+ 0 0 145 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.628 131.9 34.5-123.3 -18.6 5.6 70.3 19.2 281 152 B R >X + 0 0 110 -4,-2.3 4,-2.3 -5,-0.5 3,-1.1 -0.439 59.9 165.3-135.7 61.8 6.2 67.8 22.0 282 153 B P H 3> S+ 0 0 61 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.830 76.9 54.9 -53.6 -36.0 4.7 69.3 25.1 283 154 B E H 3> S+ 0 0 164 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.874 109.7 45.8 -64.8 -35.7 4.8 66.0 26.9 284 155 B E H <> S+ 0 0 91 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.860 108.8 58.0 -73.2 -33.4 8.5 65.5 26.3 285 156 B Y H X S+ 0 0 8 -4,-2.3 4,-2.0 -8,-0.4 -2,-0.2 0.960 109.4 44.0 -56.6 -51.0 9.1 69.1 27.3 286 157 B K H X S+ 0 0 97 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.882 113.4 50.9 -64.1 -37.3 7.5 68.4 30.7 287 158 B Q H X S+ 0 0 101 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.924 110.0 49.0 -68.2 -43.2 9.4 65.1 31.2 288 159 B K H X S+ 0 0 49 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.861 110.8 50.4 -66.1 -38.3 12.8 66.7 30.4 289 160 B I H X S+ 0 0 3 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.908 109.7 51.5 -63.3 -43.6 12.0 69.5 32.9 290 161 B K H X S+ 0 0 73 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.877 110.8 48.3 -58.6 -41.8 11.1 66.9 35.5 291 162 B E H X S+ 0 0 102 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.918 111.9 48.6 -67.3 -43.6 14.4 65.2 34.8 292 163 B Y H X>S+ 0 0 33 -4,-2.5 4,-2.7 2,-0.2 5,-0.5 0.809 109.0 53.7 -62.6 -35.9 16.4 68.4 35.0 293 164 B I H X5S+ 0 0 7 -4,-2.3 4,-2.4 3,-0.2 -2,-0.2 0.964 110.8 45.6 -62.7 -50.9 14.7 69.3 38.3 294 165 B Q H <5S+ 0 0 139 -4,-2.1 -2,-0.2 1,-0.2 4,-0.2 0.893 121.4 39.8 -60.4 -39.2 15.6 65.9 39.9 295 166 B K H <5S+ 0 0 137 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.873 136.5 7.6 -75.4 -40.6 19.2 66.3 38.6 296 167 B Y H <5S+ 0 0 71 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.569 121.5 52.7-121.7 -15.2 19.9 70.0 39.1 297 168 B A S < S- 0 0 18 -101,-0.2 4,-1.9 -4,-0.2 5,-0.2 -0.856 81.9-106.7-117.1 163.8 16.2 70.0 44.3 299 170 B E H > S+ 0 0 72 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.878 123.9 52.4 -53.1 -38.1 17.4 71.1 47.8 300 171 B E H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.904 106.8 49.7 -66.9 -45.5 19.6 68.0 47.7 301 172 B A H 4 S+ 0 0 17 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.803 109.6 53.4 -62.4 -33.0 21.2 68.9 44.3 302 173 B L H < S+ 0 0 28 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.819 103.6 55.2 -72.3 -35.3 21.9 72.4 45.6 303 174 B K H < 0 0 169 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.941 360.0 360.0 -58.5 -51.9 23.8 71.1 48.7 304 175 B E < 0 0 193 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.965 360.0 360.0 -66.7 360.0 26.0 69.2 46.3