==== 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 20-FEB-07 2OXQ . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2D 1; . SOURCE 2 ORGANISM_SCIENTIFIC: DANIO RERIO; . AUTHOR Z.XU,J.C.NIX,K.I.DEVLIN,S.MISRA . 442 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22050.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 68.1 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 . 74 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 1 0.2 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 . 34 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 2 0 2 0 1 4 0 2 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 . 11 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 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 G > 0 0 102 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -48.4 54.0 -28.7 32.4 2 0 A S T 3> + 0 0 89 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.248 360.0 96.6 -85.7 11.1 51.0 -26.7 31.3 3 1 A M H 3> S+ 0 0 48 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.823 74.3 67.3 -65.3 -31.0 53.3 -23.7 31.3 4 2 A A H <> S+ 0 0 2 -3,-1.0 4,-3.2 1,-0.2 5,-0.3 0.967 100.0 45.6 -51.1 -59.4 53.6 -24.6 27.6 5 3 A L H > S+ 0 0 53 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.869 112.2 51.3 -54.4 -41.2 49.9 -23.7 27.1 6 4 A K H X S+ 0 0 106 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.951 113.8 44.4 -62.7 -46.3 50.4 -20.5 29.0 7 5 A R H X S+ 0 0 2 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.916 110.3 53.3 -62.5 -48.7 53.4 -19.5 27.0 8 6 A I H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.892 108.4 53.9 -54.9 -39.4 51.9 -20.4 23.6 9 7 A Q H X S+ 0 0 68 -4,-1.9 4,-2.8 -5,-0.3 -1,-0.2 0.905 106.1 48.9 -65.1 -42.8 49.0 -18.2 24.6 10 8 A K H X S+ 0 0 36 -4,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.930 110.5 52.8 -63.2 -41.6 51.1 -15.1 25.3 11 9 A E H X S+ 0 0 9 -4,-2.4 4,-4.3 1,-0.2 -1,-0.2 0.913 111.0 46.3 -58.0 -44.5 52.8 -15.6 22.0 12 10 A L H X S+ 0 0 15 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.927 112.2 49.8 -64.3 -45.3 49.5 -15.7 20.2 13 11 A Q H < S+ 0 0 113 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.894 118.5 41.4 -59.9 -38.5 48.2 -12.7 22.1 14 12 A D H >X S+ 0 0 104 -4,-2.9 4,-2.1 -5,-0.2 3,-1.2 0.959 112.9 52.0 -72.3 -53.8 51.5 -11.0 21.1 15 13 A L H 3< S+ 0 0 8 -4,-4.3 3,-0.2 1,-0.3 -2,-0.2 0.926 111.0 45.9 -48.9 -57.3 51.6 -12.3 17.5 16 14 A Q T 3< S+ 0 0 106 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.628 109.1 58.6 -66.2 -12.4 48.1 -11.2 16.6 17 15 A R T <4 S+ 0 0 190 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.915 127.7 10.8 -80.4 -46.0 48.8 -7.8 18.2 18 16 A D S < S- 0 0 120 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 -0.668 85.4-156.5-136.5 79.8 51.8 -7.1 15.9 19 17 A P - 0 0 70 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.134 27.7-102.3 -54.4 142.2 52.0 -9.7 13.1 20 18 A P > - 0 0 9 0, 0.0 3,-2.3 0, 0.0 83,-0.0 -0.414 56.3 -80.9 -67.1 146.2 55.3 -10.3 11.3 21 19 A A T 3 S+ 0 0 73 1,-0.3 3,-0.1 -3,-0.1 88,-0.1 -0.215 115.3 3.3 -50.3 129.5 55.5 -8.5 8.0 22 20 A Q T 3 S+ 0 0 98 1,-0.2 18,-2.1 -3,-0.1 -1,-0.3 0.278 116.7 100.0 78.0 -10.7 53.7 -10.5 5.3 23 21 A C E < -A 39 0A 11 -3,-2.3 2,-0.3 16,-0.2 -1,-0.2 -0.631 44.2-178.7-111.0 167.2 52.5 -13.1 7.8 24 22 A S E +A 38 0A 61 14,-1.6 14,-2.6 -2,-0.2 2,-0.3 -0.960 6.6 176.3-159.3 141.8 49.5 -14.0 9.8 25 23 A A E +A 37 0A 8 -2,-0.3 12,-0.2 12,-0.3 10,-0.0 -0.943 7.2 153.3-145.4 164.6 48.8 -16.8 12.3 26 24 A G E -A 36 0A 13 10,-1.9 10,-3.0 -2,-0.3 -2,-0.0 -0.915 48.1 -67.0 178.0 161.0 46.0 -17.9 14.5 27 25 A P E -A 35 0A 52 0, 0.0 2,-0.8 0, 0.0 8,-0.3 -0.228 35.3-134.2 -63.4 153.2 44.6 -21.1 16.2 28 26 A V S S- 0 0 76 6,-1.9 2,-1.0 3,-0.3 7,-0.1 -0.718 71.2 -56.6-108.4 75.4 43.1 -23.9 14.1 29 27 A G S S- 0 0 65 -2,-0.8 3,-0.1 1,-0.1 6,-0.0 -0.761 109.1 -14.3 96.2 -98.6 40.0 -24.5 16.1 30 28 A D S S+ 0 0 138 -2,-1.0 4,-0.3 1,-0.2 -2,-0.2 0.313 104.6 57.0-110.8-124.4 40.8 -25.4 19.7 31 29 A D > - 0 0 84 1,-0.2 3,-2.0 2,-0.1 -3,-0.3 0.317 67.1-138.1 -15.4 111.9 44.1 -26.3 21.5 32 30 A L T 3 S+ 0 0 28 1,-0.3 -1,-0.2 -5,-0.1 26,-0.1 0.501 93.8 91.3 -61.5 1.2 46.5 -23.5 20.8 33 31 A F T 3 S+ 0 0 47 1,-0.1 25,-2.3 24,-0.1 2,-0.4 0.509 86.2 55.1 -73.2 -2.8 48.9 -26.4 20.3 34 32 A H E < S+ B 0 57A 71 -3,-2.0 -6,-1.9 -4,-0.3 2,-0.3 -0.990 71.0 173.9-134.8 122.4 47.8 -26.2 16.7 35 33 A W E -AB 27 56A 1 21,-2.9 21,-1.9 -2,-0.4 2,-0.4 -0.836 22.6-143.6-125.8 165.2 48.0 -23.0 14.6 36 34 A Q E -AB 26 55A 61 -10,-3.0 -10,-1.9 -2,-0.3 2,-0.3 -0.922 23.1-178.9-123.1 145.7 47.4 -22.0 11.0 37 35 A A E -AB 25 54A 0 17,-1.9 17,-3.1 -2,-0.4 2,-0.4 -0.995 12.4-158.0-148.9 144.7 49.6 -19.4 9.4 38 36 A T E -AB 24 53A 34 -14,-2.6 -14,-1.6 -2,-0.3 2,-0.4 -0.950 3.9-162.8-125.7 147.6 49.8 -17.8 6.0 39 37 A I E -AB 23 52A 0 13,-2.4 13,-2.9 -2,-0.4 2,-0.4 -0.998 13.4-139.6-130.4 131.0 52.7 -16.0 4.3 40 38 A M E - B 0 51A 73 -18,-2.1 11,-0.2 -2,-0.4 8,-0.1 -0.749 42.9 -84.6 -90.5 137.7 52.5 -13.7 1.3 41 39 A G - 0 0 2 9,-3.3 2,-2.1 -2,-0.4 8,-0.6 -0.218 45.9-106.7 -46.5 103.8 55.1 -14.0 -1.4 42 40 A P > > - 0 0 7 0, 0.0 3,-4.7 0, 0.0 6,-0.7 -0.256 24.6-146.2 -15.7 66.3 58.3 -12.2 -0.7 43 41 A S B 3 5S+E 46 0B 76 -2,-2.1 70,-0.1 1,-0.3 -3,-0.0 -0.497 100.9 53.1 -16.2 106.0 57.9 -9.5 -3.0 44 42 A D T 3 5S+ 0 0 130 1,-0.6 -1,-0.3 -2,-0.3 -3,-0.0 -0.017 106.6 70.9 106.8 -24.8 61.7 -9.5 -3.4 45 43 A S T X 5S- 0 0 10 -3,-4.7 3,-1.0 -4,-0.1 -1,-0.6 -0.693 95.6-111.1-111.4 173.7 61.4 -13.3 -4.2 46 44 A P B 3 5S+E 43 0B 22 0, 0.0 98,-0.2 0, 0.0 -3,-0.1 0.307 111.7 75.9 -83.4 8.9 60.0 -15.1 -7.2 47 45 A Y T > < + 0 0 0 -5,-0.6 3,-1.3 97,-0.1 -6,-0.4 0.453 68.2 133.9 -96.3 -4.7 57.3 -16.2 -4.8 48 46 A Q T < + 0 0 118 -3,-1.0 3,-0.1 -6,-0.7 96,-0.0 -0.069 64.5 26.1 -49.0 140.2 55.6 -12.8 -5.0 49 47 A G T 3 S+ 0 0 35 -8,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.518 100.4 116.6 81.5 3.6 51.9 -12.6 -5.5 50 48 A G < - 0 0 0 -3,-1.3 -9,-3.3 2,-0.0 2,-0.5 -0.746 54.8-150.4-105.9 153.0 51.6 -16.1 -3.9 51 49 A V E -B 40 0A 52 97,-2.3 2,-0.4 -2,-0.3 -11,-0.2 -0.993 15.9-166.5-123.3 126.3 49.9 -17.0 -0.7 52 50 A F E -B 39 0A 1 -13,-2.9 -13,-2.4 -2,-0.5 2,-0.4 -0.938 7.2-150.6-119.1 139.5 51.3 -19.9 1.3 53 51 A F E -B 38 0A 85 -2,-0.4 19,-3.2 -15,-0.2 20,-1.4 -0.877 15.9-179.9-110.4 137.4 49.7 -21.8 4.1 54 52 A L E -BC 37 71A 0 -17,-3.1 -17,-1.9 -2,-0.4 2,-0.5 -0.936 20.7-135.5-132.4 155.9 51.6 -23.5 6.9 55 53 A T E -BC 36 70A 41 15,-2.7 15,-1.9 -2,-0.3 2,-0.6 -0.946 12.6-159.2-114.8 131.9 50.7 -25.5 10.0 56 54 A I E -BC 35 69A 0 -21,-1.9 -21,-2.9 -2,-0.5 2,-0.6 -0.946 7.6-173.2-111.2 121.2 52.4 -24.9 13.3 57 55 A H E -BC 34 68A 46 11,-2.6 11,-3.0 -2,-0.6 -23,-0.2 -0.960 13.5-148.6-117.3 114.2 52.2 -27.8 15.8 58 56 A F - 0 0 10 -25,-2.3 -2,-0.0 -2,-0.6 -25,-0.0 -0.685 15.7-136.4 -82.3 128.1 53.5 -27.0 19.3 59 57 A P - 0 0 36 0, 0.0 3,-0.4 0, 0.0 6,-0.1 -0.077 25.8-106.1 -70.5-178.4 55.1 -30.0 21.1 60 58 A T S S+ 0 0 112 1,-0.2 -56,-0.2 3,-0.0 -55,-0.1 0.685 120.1 55.6 -85.2 -16.1 54.3 -30.7 24.7 61 59 A D S > S+ 0 0 62 5,-0.1 3,-3.5 2,-0.1 -1,-0.2 0.435 90.2 170.8 -90.3 -2.4 57.8 -29.5 25.8 62 60 A Y T 3 + 0 0 0 -3,-0.4 -55,-0.1 1,-0.4 -54,-0.1 -0.266 62.6 23.2 -51.1 138.4 57.3 -26.2 24.1 63 61 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.4 0, 0.0 36,-0.2 -0.947 123.1 57.4 -88.4 12.9 59.2 -23.9 24.4 64 62 A F S < S+ 0 0 6 -3,-3.5 -2,-0.2 1,-0.1 31,-0.0 0.643 112.8 45.3 -77.4 -11.7 61.9 -26.4 25.3 65 63 A K S S- 0 0 92 -4,-0.2 -1,-0.1 31,-0.1 31,-0.0 -0.993 99.5-106.1-129.4 136.2 61.4 -28.1 22.0 66 64 A P - 0 0 39 0, 0.0 -5,-0.1 0, 0.0 25,-0.1 -0.155 40.2 -99.8 -60.1 153.7 61.0 -26.2 18.7 67 65 A P - 0 0 5 0, 0.0 2,-0.8 0, 0.0 -9,-0.2 -0.358 31.2-116.9 -71.1 157.1 57.6 -26.0 17.1 68 66 A K E -C 57 0A 144 -11,-3.0 -11,-2.6 -2,-0.0 2,-0.5 -0.862 42.3-180.0 -98.0 105.5 56.8 -28.3 14.2 69 67 A V E +C 56 0A 11 -2,-0.8 17,-0.6 -13,-0.2 2,-0.3 -0.924 5.9 163.2-115.1 130.9 56.3 -26.0 11.2 70 68 A A E -CD 55 85A 24 -15,-1.9 -15,-2.7 -2,-0.5 15,-0.2 -0.999 35.2-118.3-148.2 148.9 55.4 -27.1 7.6 71 69 A F E -C 54 0A 5 13,-2.5 -17,-0.3 -2,-0.3 4,-0.1 -0.529 17.3-177.2 -77.9 145.0 54.1 -25.8 4.4 72 70 A T + 0 0 89 -19,-3.2 2,-0.3 -2,-0.2 -18,-0.2 0.564 68.5 82.4-110.6 -25.9 50.8 -27.2 3.1 73 71 A T S S- 0 0 18 -20,-1.4 75,-0.1 11,-0.1 2,-0.1 -0.598 93.2-112.6 -78.6 135.0 51.0 -25.1 -0.0 74 72 A K - 0 0 80 -2,-0.3 2,-0.3 73,-0.3 -2,-0.1 -0.427 42.7-179.1 -67.8 144.8 53.2 -26.7 -2.7 75 73 A I - 0 0 12 6,-0.1 2,-1.1 5,-0.1 9,-0.1 -0.966 32.5-133.5-153.6 133.5 56.4 -24.6 -3.3 76 74 A Y + 0 0 12 -2,-0.3 5,-0.1 64,-0.2 68,-0.1 -0.728 57.1 129.1 -85.8 96.8 59.5 -24.9 -5.5 77 75 A H B > -F 80 0C 0 -2,-1.1 3,-1.1 3,-0.6 48,-0.1 -0.992 61.6-130.5-150.6 142.3 62.3 -24.2 -3.1 78 76 A P T 3 S+ 0 0 0 0, 0.0 43,-2.7 0, 0.0 44,-1.3 0.748 108.2 49.0 -68.1 -21.2 65.6 -26.1 -2.4 79 77 A N T 3 S+ 0 0 0 41,-0.2 8,-2.6 42,-0.2 2,-0.4 0.374 103.7 66.0 -99.4 5.3 65.0 -26.0 1.4 80 78 A I B < -FG 77 86C 3 -3,-1.1 -3,-0.6 6,-0.2 6,-0.2 -0.971 69.6-154.2-131.6 116.5 61.4 -27.3 1.3 81 79 A N > - 0 0 38 4,-1.1 3,-2.2 -2,-0.4 4,-0.2 -0.216 41.7 -88.2 -81.1 175.5 60.5 -30.8 0.1 82 80 A S T 3 S+ 0 0 101 1,-0.3 -1,-0.1 2,-0.2 40,-0.0 0.518 124.7 64.9 -63.8 -4.3 57.2 -31.9 -1.4 83 81 A N T 3 S- 0 0 117 2,-0.1 -1,-0.3 -9,-0.0 3,-0.1 0.303 117.7-109.1 -98.9 6.2 55.9 -32.6 2.2 84 82 A G < + 0 0 6 -3,-2.2 -13,-2.5 1,-0.3 2,-0.3 0.721 65.9 157.5 73.9 17.7 56.1 -29.0 3.1 85 83 A S B -D 70 0A 48 -15,-0.2 -4,-1.1 -4,-0.2 2,-0.5 -0.613 31.2-145.9 -78.9 134.3 59.1 -29.8 5.3 86 84 A I B -G 80 0C 21 -17,-0.6 2,-1.7 -2,-0.3 -6,-0.2 -0.894 8.6-147.0-108.9 125.2 61.4 -26.8 6.1 87 85 A C + 0 0 25 -8,-2.6 2,-0.6 -2,-0.5 29,-0.1 -0.581 43.7 153.8 -84.7 76.3 65.1 -27.1 6.5 88 86 A L >> - 0 0 19 -2,-1.7 3,-2.4 2,-0.0 4,-0.8 -0.927 44.6-146.7-117.9 108.8 65.5 -24.3 9.0 89 87 A D T 34 S+ 0 0 69 -2,-0.6 -2,-0.0 1,-0.3 4,-0.0 -0.454 100.9 51.8 -36.8 132.9 68.1 -23.8 11.6 90 88 A I T 34 S+ 0 0 40 -2,-0.1 -1,-0.3 9,-0.0 6,-0.3 0.048 111.3 53.1 93.1 -21.4 66.0 -22.2 14.3 91 89 A L T <4 S+ 0 0 21 -3,-2.4 -2,-0.2 4,-0.1 -22,-0.1 0.520 124.0 18.3-108.4 -17.8 63.7 -25.1 13.7 92 90 A R S >< S- 0 0 203 -4,-0.8 3,-1.5 -5,-0.0 -3,-0.1 0.282 132.9 -4.6-117.4-118.1 66.4 -27.7 14.2 93 91 A S T 3 S+ 0 0 83 1,-0.3 -4,-0.1 -4,-0.0 0, 0.0 0.685 128.5 54.8 -57.8 -23.7 69.9 -27.4 15.9 94 92 A Q T 3 S+ 0 0 83 -6,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.101 77.7 129.3-102.5 24.8 69.6 -23.7 16.5 95 93 A W < + 0 0 11 -3,-1.5 -4,-0.1 244,-0.1 -6,-0.0 -0.420 30.3 178.6 -77.9 154.1 66.4 -23.6 18.4 96 94 A S > - 0 0 2 -6,-0.3 3,-1.6 -2,-0.1 -31,-0.1 -0.983 39.5-125.0-151.8 147.0 66.1 -21.7 21.8 97 95 A P T 3 S+ 0 0 0 0, 0.0 -33,-0.1 0, 0.0 248,-0.1 0.649 111.5 66.0 -68.2 -11.9 63.2 -21.2 24.2 98 96 A A T 3 S+ 0 0 27 246,-0.3 2,-0.1 2,-0.1 247,-0.1 0.687 88.7 84.2 -81.4 -18.8 64.0 -17.5 23.8 99 97 A L < - 0 0 36 -3,-1.6 2,-0.3 -36,-0.2 3,-0.0 -0.353 68.8-148.7 -80.1 164.7 62.9 -17.6 20.2 100 98 A T > - 0 0 25 1,-0.1 4,-2.7 -2,-0.1 5,-0.1 -0.864 28.8-111.2-133.2 166.7 59.3 -17.3 19.1 101 99 A V H > S+ 0 0 2 -2,-0.3 4,-3.2 2,-0.2 5,-0.2 0.926 120.1 57.1 -60.4 -42.7 56.9 -18.5 16.4 102 100 A S H > S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.931 108.0 46.5 -51.1 -51.6 56.9 -14.9 15.1 103 101 A K H > S+ 0 0 112 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.923 109.8 53.9 -58.1 -46.1 60.6 -15.1 14.7 104 102 A V H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.930 107.0 52.2 -56.3 -43.9 60.3 -18.4 13.0 105 103 A L H X S+ 0 0 1 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.886 110.4 46.7 -60.7 -39.4 57.9 -16.9 10.5 106 104 A L H X S+ 0 0 74 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.915 110.4 54.1 -67.3 -40.7 60.3 -14.1 9.7 107 105 A S H X S+ 0 0 32 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.894 107.9 49.7 -58.8 -41.2 63.1 -16.6 9.4 108 106 A I H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.883 109.6 50.6 -66.4 -38.5 60.9 -18.5 6.9 109 107 A C H X S+ 0 0 18 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.925 109.4 51.9 -64.6 -42.3 60.2 -15.4 4.9 110 108 A S H X S+ 0 0 71 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.934 107.3 52.6 -57.4 -46.4 63.9 -14.7 4.8 111 109 A L 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35.4-135.1 -65.1 115.4 72.6 -19.2 27.5 344 250 C P T 4 S+ 0 0 3 0, 0.0 -246,-0.3 0, 0.0 -1,-0.2 0.731 100.2 28.9 -42.3 -31.9 69.2 -19.2 25.8 345 251 C V T 4 S+ 0 0 70 -247,-0.1 -2,-0.0 3,-0.1 -247,-0.0 0.897 132.3 28.0 -97.5 -63.2 69.8 -15.8 24.4 346 252 C T T 4 S- 0 0 69 1,-0.1 -3,-0.0 2,-0.1 -1,-0.0 0.772 89.6-143.2 -71.2 -26.5 73.5 -15.3 23.9 347 253 C R < + 0 0 79 -4,-3.1 3,-0.1 1,-0.2 -1,-0.1 0.516 49.5 143.2 74.8 6.1 74.1 -19.0 23.4 348 254 C S - 0 0 43 1,-0.2 -5,-3.2 -6,-0.1 -1,-0.2 -0.359 66.0 -73.8 -72.3 159.7 77.4 -18.8 25.2 349 255 C P B +Q 342 0H 105 0, 0.0 -7,-0.3 0, 0.0 2,-0.3 -0.215 62.2 172.6 -54.7 142.6 78.3 -21.8 27.4 350 256 C L - 0 0 3 -9,-1.9 2,-0.3 -3,-0.1 -29,-0.0 -0.967 17.5-168.7-157.3 136.8 76.3 -21.9 30.7 351 257 C T > - 0 0 42 -2,-0.3 3,-2.5 1,-0.1 4,-0.4 -0.914 37.5-110.9-126.1 154.0 75.8 -24.3 33.6 352 258 C Q G > S+ 0 0 88 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.833 114.7 61.2 -49.6 -39.2 73.2 -24.3 36.4 353 259 C D G 3 S+ 0 0 126 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.519 94.2 65.0 -70.3 -4.0 75.9 -23.5 39.0 354 260 C Q G < S+ 0 0 76 -3,-2.5 2,-0.3 2,-0.1 -1,-0.3 0.587 74.3 111.1 -93.0 -11.1 76.6 -20.2 37.2 355 261 C L < - 0 0 15 -3,-1.5 -34,-0.2 -4,-0.4 -5,-0.0 -0.477 52.1-161.4 -68.2 124.5 73.2 -18.7 37.9 356 262 C I E -P 320 0G 19 -36,-2.5 -36,-3.7 -2,-0.3 2,-0.3 -0.888 25.5-109.5-109.1 136.6 73.3 -15.8 40.4 357 263 C P E -P 319 0G 52 0, 0.0 2,-1.8 0, 0.0 -38,-0.3 -0.465 21.8-144.6 -64.6 122.4 70.2 -14.5 42.3 358 264 C N > + 0 0 1 -40,-2.8 4,-1.5 -2,-0.3 3,-0.3 -0.489 31.3 167.9 -88.4 70.4 69.2 -11.1 40.9 359 265 C L H >> S+ 0 0 84 -2,-1.8 4,-1.9 38,-0.5 3,-0.6 0.882 70.1 56.6 -48.5 -52.1 68.1 -9.8 44.2 360 266 C A H >> S+ 0 0 11 37,-0.3 4,-1.3 1,-0.3 3,-0.6 0.936 111.2 45.7 -47.8 -50.8 67.8 -6.2 43.1 361 267 C M H 3> S+ 0 0 0 -3,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.786 104.0 63.3 -63.9 -28.4 65.4 -7.3 40.5 362 268 C K H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 3,-1.7 0.984 109.7 47.6 -64.2 -59.1 59.3 -6.9 41.0 366 272 C D H 3< S+ 0 0 67 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.901 108.6 58.5 -47.6 -43.2 57.7 -6.9 44.5 367 273 C A H 3X S+ 0 0 25 -4,-1.9 4,-0.7 1,-0.2 3,-0.4 0.819 110.1 42.1 -55.4 -35.0 57.8 -3.1 44.1 368 274 C F H - 0 0 36 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.211 20.0-124.2 -61.0 159.5 63.8 4.0 45.7 377 210 D D G > S+ 0 0 131 1,-0.2 3,-3.6 2,-0.2 8,-0.1 0.939 103.4 67.3 -71.3 -48.0 66.8 2.4 47.4 378 211 D Y G 3 S+ 0 0 54 1,-0.3 -1,-0.2 -15,-0.1 -14,-0.1 0.340 98.1 56.9 -57.8 10.7 67.1 -0.7 45.2 379 212 D L G < S+ 0 0 3 -3,-0.7 9,-2.1 6,-0.1 2,-0.3 0.349 95.3 81.4-120.0 -0.8 68.1 1.7 42.4 380 213 D C B < S-R 387 0I 17 -3,-3.6 7,-0.3 7,-0.3 2,-0.2 -0.798 88.2-101.1-107.8 150.3 71.0 3.2 44.3 381 214 D G > - 0 0 2 5,-2.3 4,-2.7 -2,-0.3 19,-0.2 -0.488 21.7-130.3 -72.4 133.5 74.5 1.8 44.7 382 215 D K T 4 S+ 0 0 96 17,-0.8 -1,-0.1 -2,-0.2 18,-0.1 0.563 111.0 30.4 -58.3 -7.0 75.3 0.1 48.0 383 216 D I T 4 S+ 0 0 1 3,-0.1 -1,-0.2 18,-0.0 17,-0.1 0.728 123.9 40.4-114.8 -57.8 78.4 2.3 48.0 384 217 D S T 4 S- 0 0 6 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.833 82.9-151.0 -63.8 -34.5 77.5 5.6 46.2 385 218 D F < + 0 0 32 -4,-2.7 2,-0.2 1,-0.3 -1,-0.1 0.398 64.8 104.8 74.8 -4.2 74.0 5.8 47.7 386 219 D E S S- 0 0 48 1,-0.2 -5,-2.3 -5,-0.1 -1,-0.3 -0.552 89.7 -71.0-101.6 168.4 73.1 7.5 44.5 387 220 D L B -R 380 0I 36 -7,-0.3 2,-0.5 -2,-0.2 -7,-0.3 -0.189 61.8-106.0 -52.3 152.7 71.1 6.3 41.5 388 221 D M + 0 0 4 -9,-2.1 -1,-0.1 1,-0.2 13,-0.0 -0.773 34.3 179.5 -95.3 125.4 73.2 3.7 39.6 389 222 D A S S+ 0 0 70 -2,-0.5 -1,-0.2 1,-0.2 12,-0.1 0.927 86.2 21.6 -83.0 -50.6 74.7 4.7 36.3 390 223 D E S S- 0 0 108 2,-0.1 12,-3.2 40,-0.0 -1,-0.2 -0.708 82.1-165.9-121.8 79.9 76.4 1.3 35.5 391 224 D P E +S 401 0J 7 0, 0.0 40,-0.8 0, 0.0 2,-0.3 -0.412 15.0 164.3 -69.5 136.0 74.7 -1.4 37.6 392 225 D C E -ST 400 430J 0 8,-1.9 8,-2.8 38,-0.3 2,-0.3 -0.976 25.1-136.2-153.0 140.4 76.4 -4.8 37.9 393 226 D I E -ST 399 429J 0 36,-2.0 36,-2.1 -2,-0.3 6,-0.2 -0.688 11.0-138.3-101.5 149.9 75.9 -7.7 40.3 394 227 D T > - 0 0 0 4,-2.0 3,-2.8 -2,-0.3 4,-0.3 -0.578 35.4 -99.6-100.0 166.4 78.4 -9.8 42.2 395 228 D P T 3 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 28,-0.1 0.811 124.1 64.7 -55.1 -29.7 78.3 -13.6 42.7 396 229 D S T 3 S- 0 0 34 2,-0.1 27,-0.0 -40,-0.1 -3,-0.0 0.566 123.1-110.8 -70.0 -5.4 76.9 -12.9 46.1 397 230 D G S < S+ 0 0 0 -3,-2.8 -38,-0.5 1,-0.2 2,-0.4 0.844 72.9 135.0 80.5 35.6 74.0 -11.5 44.1 398 231 D I - 0 0 18 -4,-0.3 -4,-2.0 -39,-0.1 2,-0.4 -0.956 46.3-136.9-121.3 135.0 74.4 -7.8 45.0 399 232 D T E +S 393 0J 7 -2,-0.4 -17,-0.8 -6,-0.2 -6,-0.3 -0.736 27.5 164.1 -95.5 135.7 74.3 -4.9 42.7 400 233 D Y E -S 392 0J 1 -8,-2.8 -8,-1.9 -2,-0.4 2,-0.7 -0.719 46.8 -95.1-130.6 178.8 76.8 -1.9 42.8 401 234 D D E >> -S 391 0J 3 -2,-0.2 4,-2.4 -10,-0.2 3,-1.3 -0.927 38.1-129.0-100.8 121.3 77.7 0.8 40.4 402 235 D R H 3> S+ 0 0 32 -12,-3.2 4,-2.5 -2,-0.7 5,-0.3 0.820 105.2 52.9 -36.1 -52.4 80.7 -0.4 38.5 403 236 D K H 3> S+ 0 0 92 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.873 116.2 38.8 -56.0 -40.8 82.8 2.7 39.1 404 237 D D H <> S+ 0 0 0 -3,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.918 115.2 49.6 -77.8 -45.9 82.2 2.5 42.9 405 238 D I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.855 113.9 48.5 -62.3 -33.8 82.5 -1.2 43.4 406 239 D E H X S+ 0 0 60 -4,-2.5 4,-2.0 -5,-0.4 -1,-0.2 0.872 105.8 55.2 -74.6 -36.7 85.7 -1.2 41.4 407 240 D E H X S+ 0 0 39 -4,-1.4 4,-1.1 -5,-0.3 5,-0.3 0.898 111.8 48.3 -60.0 -37.7 87.1 1.7 43.4 408 241 D H H >X>S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-1.5 0.927 109.1 49.2 -67.2 -49.3 86.5 -0.5 46.4 409 242 D L H 3<5S+ 0 0 8 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.813 117.8 43.2 -62.1 -28.6 88.0 -3.6 45.0 410 243 D Q H 3<5S+ 0 0 169 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.601 128.7 23.3 -94.6 -12.8 91.1 -1.6 44.0 411 244 D R H <<5S+ 0 0 131 -4,-1.1 -3,-0.2 -3,-0.5 -2,-0.2 0.654 130.9 29.8-122.5 -30.2 91.5 0.5 47.2 412 245 D V T <5S- 0 0 47 -4,-2.9 2,-0.3 -5,-0.3 -3,-0.2 0.894 113.3 -66.0 -95.8 -67.7 89.8 -1.4 50.0 413 246 D G < - 0 0 18 -5,-1.5 2,-1.3 2,-0.2 -1,-0.3 -0.979 41.4 -87.9-177.0 170.3 90.0 -5.1 49.3 414 247 D H S S+ 0 0 118 -2,-0.3 9,-2.3 -4,-0.1 2,-0.3 -0.510 86.6 96.2 -94.9 66.5 88.9 -8.0 47.1 415 248 D F B S-U 422 0K 39 -2,-1.3 -2,-0.2 7,-0.3 6,-0.1 -0.955 84.7 -87.6-146.5 165.0 85.7 -8.8 48.9 416 249 D D > - 0 0 0 5,-2.4 4,-3.4 -2,-0.3 5,-0.1 -0.668 33.8-140.4 -77.1 116.6 82.0 -8.1 48.6 417 250 D P T 4 S+ 0 0 2 0, 0.0 -169,-0.3 0, 0.0 -1,-0.2 0.711 100.8 34.2 -49.2 -22.9 81.4 -4.9 50.6 418 251 D V T 4 S+ 0 0 68 -170,-0.1 -2,-0.0 -171,-0.1 -172,-0.0 0.822 133.8 21.5-102.9 -42.7 78.2 -6.5 51.9 419 252 D T T 4 S- 0 0 62 2,-0.1 0, 0.0 -21,-0.0 0, 0.0 0.614 87.4-139.9-101.4 -17.2 78.8 -10.3 52.3 420 253 D R < + 0 0 90 -4,-3.4 3,-0.1 1,-0.2 -6,-0.0 0.531 50.3 146.9 68.6 6.0 82.6 -10.0 52.5 421 254 D S - 0 0 47 1,-0.1 -5,-2.4 -6,-0.1 -1,-0.2 -0.214 65.2 -79.0 -62.7 163.8 82.9 -13.1 50.3 422 255 D P B +U 415 0K 107 0, 0.0 2,-0.3 0, 0.0 -7,-0.3 -0.475 62.1 176.5 -69.8 142.1 86.0 -12.9 48.1 423 256 D L - 0 0 1 -9,-2.3 2,-0.3 -2,-0.1 3,-0.0 -0.999 15.8-178.5-148.4 149.1 85.5 -10.7 45.0 424 257 D T > - 0 0 42 -2,-0.3 3,-3.1 1,-0.1 4,-0.2 -0.994 42.8-103.8-147.6 150.4 87.4 -9.4 42.0 425 258 D Q G > S+ 0 0 100 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.825 117.6 58.4 -37.7 -49.7 86.7 -7.1 39.1 426 259 D D G 3 S+ 0 0 124 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.681 96.3 64.5 -60.3 -18.5 86.4 -10.0 36.6 427 260 D Q G < S+ 0 0 71 -3,-3.1 2,-0.7 2,-0.1 -1,-0.3 0.386 77.4 108.9 -87.4 4.8 83.6 -11.5 38.7 428 261 D L < - 0 0 12 -3,-2.0 -34,-0.2 -4,-0.2 -5,-0.0 -0.736 52.3-161.9 -89.9 116.3 81.2 -8.6 38.0 429 262 D I E -T 393 0J 18 -36,-2.1 -36,-2.0 -2,-0.7 2,-0.6 -0.780 28.1-112.3 -95.5 136.5 78.3 -9.3 35.7 430 263 D P E -T 392 0J 55 0, 0.0 2,-2.7 0, 0.0 -38,-0.3 -0.548 23.5-138.5 -69.2 111.2 76.5 -6.3 34.1 431 264 D N > + 0 0 0 -40,-0.8 4,-2.1 -2,-0.6 -106,-0.1 -0.410 32.6 171.5 -73.9 75.5 73.1 -6.2 35.6 432 265 D L H > + 0 0 79 -2,-2.7 4,-1.8 -108,-0.3 -1,-0.2 0.864 69.9 57.2 -51.9 -47.9 71.3 -5.5 32.4 433 266 D A H >> S+ 0 0 8 -109,-0.7 4,-2.3 1,-0.2 3,-1.1 0.972 110.0 44.4 -49.9 -60.9 67.8 -5.9 33.7 434 267 D M H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.867 105.5 63.1 -50.7 -41.7 68.4 -3.3 36.4 435 268 D K H 3X S+ 0 0 68 -4,-2.1 4,-1.8 2,-0.2 -1,-0.3 0.886 108.9 41.2 -53.7 -40.6 70.0 -1.1 33.8 436 269 D E H X S+ 0 0 34 -4,-2.7 4,-1.4 1,-0.2 3,-0.8 0.967 109.9 45.6 -52.0 -59.2 62.5 3.5 32.9 441 274 D F H 3< S+ 0 0 48 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.877 108.7 56.8 -53.3 -43.2 62.6 5.4 36.2 442 275 D I H >< S+ 0 0 80 -4,-2.9 3,-0.6 1,-0.2 -1,-0.3 0.836 101.1 59.1 -60.4 -32.7 64.7 8.1 34.6 443 276 D Q H << S+ 0 0 159 -4,-1.8 2,-1.8 -3,-0.8 -2,-0.2 0.988 105.7 46.4 -59.1 -60.5 62.0 8.7 32.0 444 277 D E T 3< 0 0 170 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.1 -0.455 360.0 360.0 -84.7 66.8 59.3 9.5 34.4 445 278 D N < 0 0 159 -2,-1.8 -1,-0.2 -3,-0.6 -2,-0.2 0.026 360.0 360.0 174.0 360.0 61.4 11.9 36.5