==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-OCT-08 3F0N . COMPND 2 MOLECULE: MEVALONATE PYROPHOSPHATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.R.WALKER,T.DAVIS,A.VESTERBERG,Y.LI,C.BOUNTRA,J.WEIGELT, . 760 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31498.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 502 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 141 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 41 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 3 2 0 2 0 3 0 2 1 1 0 5 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 PARALLEL BRIDGES PER LADDER . 4 3 3 7 1 2 5 1 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 . 2 0 2 2 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 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 -3 A R > 0 0 151 0, 0.0 3,-1.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -24.0 63.6 -15.3 68.4 2 -2 A E T 3 + 0 0 170 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.671 360.0 68.8 -65.1 -18.4 65.8 -13.4 66.0 3 -1 A N T 3 S+ 0 0 143 3,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.440 80.1 97.0 -81.5 -1.2 68.2 -16.3 66.6 4 0 A L S < S- 0 0 116 -3,-1.3 0, 0.0 2,-0.1 0, 0.0 -0.677 86.0-114.9 -91.4 152.5 65.8 -18.7 64.8 5 1 A Y 0 0 211 -2,-0.3 -1,-0.1 90,-0.0 -3,-0.0 0.830 360.0 360.0 -62.0 -43.6 66.5 -19.5 61.1 6 2 A F 0 0 138 90,-0.0 -2,-0.1 -3,-0.0 90,-0.0 -0.838 360.0 360.0-108.7 360.0 63.5 -17.9 59.4 7 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 8 7 A D 0 0 132 0, 0.0 2,-0.3 0, 0.0 50,-0.2 0.000 360.0 360.0 360.0 152.4 51.5 -14.6 55.8 9 8 A L E -A 57 0A 80 48,-1.9 48,-2.8 91,-0.1 2,-0.4 -1.000 360.0-173.4-150.3 139.5 51.2 -11.6 53.5 10 9 A M E +A 56 0A 48 -2,-0.3 2,-0.4 46,-0.2 46,-0.3 -0.998 10.6 179.0-135.4 130.4 48.4 -9.8 51.7 11 10 A V E -A 55 0A 18 44,-2.7 44,-3.3 -2,-0.4 2,-0.4 -0.991 10.9-159.8-135.5 138.4 48.9 -7.0 49.1 12 11 A T E +AB 54 376A 0 364,-0.6 364,-3.1 -2,-0.4 2,-0.3 -0.987 16.4 171.6-123.6 127.8 46.5 -5.0 47.1 13 12 A C E -AB 53 375A 0 40,-2.5 40,-2.7 -2,-0.4 2,-0.3 -0.835 20.4-141.2-125.8 163.5 47.3 -3.2 43.9 14 13 A T E -AB 52 374A 6 360,-2.3 360,-1.8 -2,-0.3 38,-0.2 -0.899 14.4-166.3-120.0 158.0 45.5 -1.3 41.1 15 14 A A E -A 51 0A 0 36,-2.2 36,-2.3 -2,-0.3 2,-0.2 -0.994 15.2-123.8-143.2 150.1 46.2 -1.3 37.4 16 15 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 34,-0.2 -0.493 16.7-125.2 -88.5 156.3 45.1 0.9 34.4 17 16 A V - 0 0 0 32,-0.4 27,-2.5 -2,-0.2 2,-0.3 -0.560 29.8-152.5 -82.1 160.9 43.5 -0.0 31.1 18 17 A N E -F 43 0B 7 25,-0.2 2,-0.5 -2,-0.2 102,-0.3 -0.979 9.0-139.5-136.4 157.0 45.3 1.1 28.0 19 18 A I E -F 42 0B 1 23,-2.5 23,-2.0 -2,-0.3 2,-0.3 -0.962 20.3-133.9-118.2 119.0 44.1 2.0 24.5 20 19 A A E +F 41 0B 5 -2,-0.5 21,-0.3 21,-0.3 3,-0.2 -0.526 23.7 177.2 -69.9 127.4 46.3 0.9 21.5 21 20 A V E S+ 0 0 0 19,-3.1 2,-0.6 1,-0.3 20,-0.2 0.696 87.0 43.1 -99.9 -28.4 46.9 3.6 18.9 22 21 A I E S-F 40 0B 0 18,-2.3 18,-1.9 232,-0.1 -1,-0.3 -0.983 106.4-127.3-107.4 116.4 49.2 1.2 16.9 23 22 A K - 0 0 3 -2,-0.6 2,-0.5 16,-0.2 18,-0.1 -0.415 12.0-145.6 -80.1 137.4 47.2 -2.1 17.1 24 23 A Y + 0 0 28 -2,-0.2 2,-0.2 16,-0.0 3,-0.1 -0.797 35.9 152.6 -83.3 125.7 48.2 -5.5 18.2 25 24 A W + 0 0 5 -2,-0.5 199,-0.1 1,-0.4 182,-0.0 -0.682 45.9 24.7-162.5 105.7 46.4 -8.1 16.0 26 25 A G - 0 0 0 -2,-0.2 10,-2.0 10,-0.1 11,-0.4 0.207 63.7-127.8 111.7 130.5 47.9 -11.5 15.3 27 26 A K E -I 35 0C 8 8,-0.3 3,-0.2 180,-0.1 187,-0.0 -0.858 9.2-164.3-105.2 143.4 50.4 -13.8 17.1 28 27 A R E S+ 0 0 93 6,-2.7 2,-0.4 -2,-0.4 -1,-0.1 0.614 95.1 31.2 -89.3 -20.3 53.5 -15.3 15.6 29 28 A D E >> -I 34 0C 49 5,-1.9 5,-2.2 1,-0.1 4,-1.0 -0.915 65.9-172.6-139.7 111.1 53.6 -17.7 18.7 30 29 A E T 45S+ 0 0 111 -2,-0.4 -1,-0.1 3,-0.2 181,-0.0 0.700 85.0 50.2 -76.4 -24.4 50.2 -18.6 20.3 31 30 A A T 45S+ 0 0 67 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.874 120.0 32.5 -80.9 -44.8 51.7 -20.4 23.3 32 31 A L T 45S- 0 0 41 139,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.538 107.8-121.1 -90.7 -7.3 54.2 -17.7 24.4 33 32 A I T <5 + 0 0 2 -4,-1.0 -3,-0.2 1,-0.2 118,-0.1 0.984 51.1 164.2 61.7 60.5 51.9 -14.8 23.2 34 33 A L E < -I 29 0C 1 -5,-2.2 -6,-2.7 115,-0.0 -5,-1.9 -0.946 27.5-135.8-109.6 132.8 54.4 -13.3 20.8 35 34 A P E -I 27 0C 0 0, 0.0 -8,-0.3 0, 0.0 3,-0.1 -0.361 13.9-131.4 -94.4 163.2 52.9 -10.8 18.2 36 35 A I S S+ 0 0 32 -10,-2.0 2,-0.3 1,-0.1 -9,-0.1 0.601 94.7 18.8 -81.8 -16.2 53.5 -10.4 14.5 37 36 A N S S- 0 0 2 -11,-0.4 -1,-0.1 191,-0.1 -12,-0.1 -0.982 84.3-102.4-148.6 160.8 54.0 -6.7 15.0 38 37 A S - 0 0 19 -2,-0.3 2,-0.3 186,-0.2 128,-0.2 -0.367 35.9-154.7 -75.4 162.1 54.8 -4.2 17.8 39 38 A S E - G 0 165B 0 126,-1.8 126,-2.5 -2,-0.1 2,-0.4 -0.894 7.4-154.0-137.4 167.3 52.0 -2.0 19.3 40 39 A L E +FG 22 164B 0 -18,-1.9 -19,-3.1 -2,-0.3 -18,-2.3 -0.988 18.5 174.4-148.8 127.3 51.8 1.3 21.1 41 40 A S E -FG 20 163B 0 122,-2.9 122,-2.5 -2,-0.4 2,-0.5 -0.840 30.2-122.3-134.3 173.1 49.2 2.5 23.5 42 41 A V E -FG 19 162B 0 -23,-2.0 -23,-2.5 -2,-0.3 2,-0.4 -0.972 28.9-132.4-118.4 125.9 48.1 5.2 25.9 43 42 A T E -F 18 0B 0 118,-2.7 327,-2.5 -2,-0.5 118,-0.3 -0.676 23.6-137.6 -81.8 126.9 47.6 4.3 29.5 44 43 A L B -J 369 0D 0 -27,-2.5 325,-0.2 -2,-0.4 2,-0.2 -0.563 28.4 -90.4 -90.3 158.1 44.3 5.7 30.8 45 44 A H >> - 0 0 37 323,-2.2 4,-2.0 -2,-0.2 3,-1.9 -0.384 19.6-145.1 -76.6 129.5 44.0 7.3 34.3 46 45 A Q T 34 S+ 0 0 15 1,-0.3 -1,-0.1 2,-0.2 -31,-0.1 0.642 94.9 78.1 -66.2 -14.5 43.0 5.0 37.3 47 46 A D T 34 S+ 0 0 115 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.797 112.8 22.1 -54.2 -34.1 41.1 8.0 38.7 48 47 A Q T <4 S+ 0 0 30 -3,-1.9 2,-0.4 1,-0.3 -2,-0.2 0.782 135.7 20.6-105.1 -40.3 38.4 6.9 36.1 49 48 A L S < S+ 0 0 3 -4,-2.0 -32,-0.4 -32,-0.1 -1,-0.3 -0.993 70.4 146.7-137.9 128.7 39.1 3.3 35.3 50 49 A K - 0 0 72 -2,-0.4 62,-1.6 -34,-0.2 2,-0.4 -0.990 36.2-138.2-160.7 151.2 41.0 0.7 37.3 51 50 A T E -AC 15 111A 1 -36,-2.3 -36,-2.2 -2,-0.3 2,-0.4 -0.896 21.6-156.8-106.5 140.6 41.3 -3.0 38.2 52 51 A T E -AC 14 110A 16 58,-3.2 58,-2.4 -2,-0.4 2,-0.4 -0.978 10.9-175.6-120.1 133.1 42.1 -3.8 41.8 53 52 A T E -AC 13 109A 2 -40,-2.7 -40,-2.5 -2,-0.4 2,-0.5 -0.997 10.4-161.5-132.2 131.2 43.7 -7.1 42.8 54 53 A T E -AC 12 108A 0 54,-3.2 54,-2.1 -2,-0.4 2,-0.5 -0.960 6.9-167.8-108.8 129.1 44.4 -8.5 46.3 55 54 A V E +AC 11 107A 0 -44,-3.3 -44,-2.7 -2,-0.5 2,-0.4 -0.978 8.3 178.6-115.8 121.3 46.9 -11.3 46.6 56 55 A A E -AC 10 106A 2 50,-2.3 50,-2.5 -2,-0.5 2,-0.4 -0.958 7.7-171.5-113.6 139.4 47.1 -13.2 49.9 57 56 A I E +AC 9 105A 4 -48,-2.8 -48,-1.9 -2,-0.4 2,-0.3 -0.996 12.9 168.7-122.7 139.9 49.4 -16.1 50.7 58 57 A S > - 0 0 9 46,-0.9 3,-1.2 -2,-0.4 46,-0.5 -0.997 44.8-128.6-147.3 148.1 49.1 -18.1 54.0 59 58 A K T 3 S+ 0 0 62 -2,-0.3 -1,-0.0 1,-0.2 45,-0.0 0.629 111.5 59.3 -65.2 -12.8 50.4 -21.3 55.5 60 59 A D T 3 S+ 0 0 132 44,-0.1 2,-0.3 43,-0.0 -1,-0.2 0.578 75.2 110.4 -94.5 -13.6 46.8 -22.1 56.2 61 60 A F < - 0 0 31 -3,-1.2 43,-0.6 43,-0.2 3,-0.1 -0.512 49.6-163.7 -70.9 123.5 45.4 -22.0 52.6 62 61 A T + 0 0 127 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.829 67.8 7.1 -75.3 -33.8 44.4 -25.5 51.4 63 62 A E S S- 0 0 109 41,-0.1 2,-0.4 40,-0.0 -1,-0.2 -0.969 79.6 -91.3-149.3 159.0 44.3 -24.6 47.7 64 63 A D + 0 0 51 -2,-0.3 2,-0.4 40,-0.1 11,-0.2 -0.611 51.0 179.6 -68.5 126.7 45.0 -22.0 45.0 65 64 A R E -d 106 0A 63 40,-2.6 42,-3.2 -2,-0.4 2,-0.4 -0.998 13.7-169.4-141.6 136.8 41.8 -19.9 44.6 66 65 A I E -dE 107 73A 23 7,-0.7 7,-2.5 -2,-0.4 2,-0.4 -0.978 1.3-170.6-131.3 138.6 40.8 -17.0 42.4 67 66 A W E -dE 108 72A 18 40,-2.4 42,-1.8 -2,-0.4 2,-0.4 -0.975 5.2-165.6-123.8 142.7 37.8 -14.7 42.3 68 67 A L E > S-dE 109 71A 48 3,-3.1 3,-1.2 -2,-0.4 42,-0.2 -0.971 79.8 -18.0-127.0 118.9 36.8 -12.1 39.7 69 68 A N T 3 S- 0 0 64 40,-3.4 41,-0.1 -2,-0.4 -1,-0.1 0.894 130.3 -48.3 50.8 47.4 34.1 -9.6 40.7 70 69 A G T 3 S+ 0 0 61 39,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.383 118.4 107.9 83.1 -3.9 33.0 -11.7 43.6 71 70 A R E < -E 68 0A 169 -3,-1.2 -3,-3.1 0, 0.0 2,-0.3 -0.925 68.7-126.0-111.7 129.7 32.7 -14.9 41.6 72 71 A E E -E 67 0A 93 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.3 -0.506 29.0-166.0 -71.6 133.6 35.1 -17.8 42.0 73 72 A E E -E 66 0A 69 -7,-2.5 -7,-0.7 -2,-0.3 2,-0.4 -0.768 34.8 -80.3-118.5 163.4 36.8 -18.9 38.7 74 73 A D > - 0 0 110 -2,-0.3 3,-1.4 1,-0.2 -9,-0.1 -0.508 30.2-155.1 -66.8 117.7 38.7 -22.0 37.8 75 74 A V T 3 S+ 0 0 41 -2,-0.4 -1,-0.2 1,-0.2 -10,-0.1 0.753 89.2 70.4 -60.6 -24.5 42.3 -21.6 39.0 76 75 A G T 3 + 0 0 36 4,-0.1 -1,-0.2 5,-0.1 5,-0.1 0.448 63.0 133.6 -79.0 -2.6 43.3 -24.0 36.3 77 76 A Q <> - 0 0 70 -3,-1.4 4,-2.9 1,-0.1 5,-0.2 -0.210 61.8-126.9 -47.7 136.3 42.6 -21.7 33.3 78 77 A P H > S+ 0 0 107 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.889 106.2 47.6 -59.7 -44.6 45.6 -21.9 31.0 79 78 A R H > S+ 0 0 63 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.931 114.7 47.6 -63.3 -43.0 46.4 -18.2 30.8 80 79 A L H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.924 110.9 50.9 -63.9 -44.9 46.2 -17.9 34.6 81 80 A Q H X S+ 0 0 56 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.903 109.2 51.4 -59.4 -39.6 48.4 -20.9 35.1 82 81 A A H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.878 108.9 51.2 -63.7 -38.8 51.0 -19.5 32.7 83 82 A C H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.942 112.8 44.3 -62.4 -51.6 51.1 -16.2 34.6 84 83 A L H X S+ 0 0 7 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.871 113.1 51.9 -61.1 -42.9 51.6 -17.9 38.0 85 84 A R H X S+ 0 0 135 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.909 111.3 47.9 -61.3 -42.6 54.2 -20.2 36.6 86 85 A E H X S+ 0 0 13 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.881 109.5 50.2 -69.9 -42.2 56.1 -17.3 35.1 87 86 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.902 112.8 48.6 -61.0 -39.2 56.1 -15.1 38.3 88 87 A R H X S+ 0 0 45 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.921 110.6 51.3 -65.1 -43.4 57.4 -18.2 40.3 89 88 A R H X S+ 0 0 149 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.946 112.9 44.9 -55.6 -52.8 60.1 -18.8 37.7 90 89 A L H < S+ 0 0 40 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.860 108.3 56.4 -62.7 -40.5 61.3 -15.1 37.9 91 90 A A H < S+ 0 0 19 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.938 115.2 38.4 -56.9 -47.6 61.2 -15.0 41.7 92 91 A R H < 0 0 178 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.862 360.0 360.0 -69.3 -36.8 63.6 -17.9 41.8 93 92 A K < 0 0 126 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.998 360.0 360.0 -65.0 360.0 65.4 -16.5 38.9 94 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 95 100 A D 0 0 107 0, 0.0 4,-0.3 0, 0.0 -90,-0.0 0.000 360.0 360.0 360.0 136.3 65.2 -15.6 53.2 96 101 A T > + 0 0 61 1,-0.2 4,-2.7 2,-0.1 3,-0.3 0.516 360.0 101.7 -77.2 -8.2 61.4 -16.2 53.4 97 102 A L H > S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.871 79.1 47.5 -50.3 -51.5 61.1 -16.8 49.6 98 103 A P H > S+ 0 0 76 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.902 114.4 47.9 -60.5 -40.1 60.9 -20.6 49.7 99 104 A L H > S+ 0 0 53 -3,-0.3 4,-0.7 -4,-0.3 3,-0.4 0.933 110.0 53.3 -59.7 -48.3 58.3 -20.5 52.5 100 105 A S H >< S+ 0 0 23 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.881 109.6 47.7 -52.6 -45.3 56.3 -17.9 50.5 101 106 A L H 3< S+ 0 0 15 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.741 101.0 66.2 -69.8 -28.3 56.3 -20.2 47.4 102 107 A S H 3< S+ 0 0 96 -4,-1.4 2,-0.3 -3,-0.4 -1,-0.2 0.690 87.9 90.9 -64.2 -23.4 55.1 -23.2 49.5 103 108 A Y S << S- 0 0 52 -3,-0.9 -44,-0.1 -4,-0.7 2,-0.1 -0.560 80.4-120.5 -84.1 140.4 51.8 -21.4 50.2 104 109 A K - 0 0 15 -43,-0.6 -46,-0.9 -46,-0.5 2,-0.4 -0.428 34.9-127.1 -61.0 145.9 48.7 -21.7 48.1 105 110 A V E -C 57 0A 3 -48,-0.2 -40,-2.6 -2,-0.1 2,-0.5 -0.851 14.9-159.2-103.1 144.0 47.5 -18.3 46.8 106 111 A H E -Cd 56 65A 8 -50,-2.5 -50,-2.3 -2,-0.4 2,-0.4 -0.985 17.2-174.0-117.5 118.3 44.1 -16.7 47.1 107 112 A V E +Cd 55 66A 8 -42,-3.2 -40,-2.4 -2,-0.5 2,-0.4 -0.940 8.6 176.0-118.1 133.9 43.5 -14.0 44.5 108 113 A A E +Cd 54 67A 5 -54,-2.1 -54,-3.2 -2,-0.4 2,-0.3 -0.992 7.1 174.5-135.6 131.6 40.5 -11.7 44.3 109 114 A S E +Cd 53 68A 17 -42,-1.8 -40,-3.4 -2,-0.4 -39,-0.4 -0.968 8.5 176.0-138.0 155.7 40.0 -8.9 41.8 110 115 A V E -C 52 0A 47 -58,-2.4 -58,-3.2 -2,-0.3 2,-0.3 -0.931 9.6-158.9-141.7 161.9 37.4 -6.3 40.8 111 116 A N E -C 51 0A 35 -2,-0.3 -60,-0.2 -60,-0.3 10,-0.0 -0.960 22.0-135.3-139.2 163.7 37.2 -3.5 38.3 112 117 A N + 0 0 80 -62,-1.6 -61,-0.1 -2,-0.3 -2,-0.0 0.009 62.0 126.3-104.2 27.1 35.0 -0.4 38.0 113 118 A F - 0 0 21 -63,-0.1 -2,-0.1 -64,-0.0 5,-0.1 -0.751 64.1-125.0 -87.0 122.5 34.4 -0.8 34.2 114 119 A P > - 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0 0 25 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.283 17.2-142.6 -73.7 150.3 35.2 -12.0 8.1 269 274 A I - 0 0 9 -7,-2.6 2,-0.5 -10,-0.1 -4,-0.2 -0.944 15.9-171.9-109.8 128.9 35.2 -10.3 11.5 270 275 A S + 0 0 55 -2,-0.5 -66,-0.2 1,-0.1 -11,-0.0 -0.930 19.5 159.1-129.7 108.8 33.2 -7.1 11.8 271 276 A Y + 0 0 0 -2,-0.5 2,-0.2 31,-0.1 -1,-0.1 0.758 57.6 78.9 -95.8 -36.1 33.5 -5.0 15.1 272 277 A L - 0 0 27 27,-0.1 2,-0.2 4,-0.1 32,-0.1 -0.541 63.0-170.6 -73.3 141.2 32.3 -1.6 13.8 273 278 A N > - 0 0 14 30,-0.2 4,-2.3 -2,-0.2 5,-0.2 -0.563 44.8 -79.7-116.7-170.8 28.6 -1.2 13.4 274 279 A D H > S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.854 131.4 52.1 -63.4 -30.7 26.4 1.5 11.9 275 280 A T H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.922 106.9 52.3 -68.5 -43.7 26.8 3.6 15.0 276 281 A S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.909 109.2 50.9 -51.2 -46.4 30.6 3.3 14.8 277 282 A R H X S+ 0 0 14 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.894 108.5 50.6 -64.3 -40.7 30.4 4.5 11.2 278 283 A R H X S+ 0 0 74 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.883 110.0 51.1 -63.0 -36.9 28.3 7.5 12.2 279 284 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.941 108.7 50.8 -65.3 -44.3 30.9 8.4 14.9 280 285 A I H X S+ 0 0 13 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.943 111.0 48.8 -55.5 -48.0 33.6 8.2 12.3 281 286 A Q H X S+ 0 0 44 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.916 109.7 52.3 -59.5 -43.4 31.7 10.5 10.0 282 287 A L H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.919 109.3 50.2 -56.9 -47.3 31.1 13.0 12.8 283 288 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.945 112.9 44.7 -58.6 -49.6 34.8 13.0 13.6 284 289 A H H X S+ 0 0 26 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.907 115.3 48.0 -65.7 -40.1 35.8 13.7 10.0 285 290 A R H X S+ 0 0 85 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.898 110.4 51.8 -62.4 -43.4 33.0 16.4 9.6 286 291 A F H X S+ 0 0 0 -4,-3.0 4,-1.6 -5,-0.2 -2,-0.2 0.935 113.0 45.4 -59.0 -47.3 34.0 18.1 12.8 287 292 A N H X>S+ 0 0 12 -4,-2.3 5,-1.7 -5,-0.2 4,-1.2 0.907 111.5 51.8 -62.6 -44.7 37.7 18.2 11.6 288 293 A T H <5S+ 0 0 114 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.902 107.5 52.9 -59.9 -43.6 36.7 19.5 8.1 289 294 A H H <5S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.886 113.4 43.1 -59.6 -39.4 34.7 22.2 9.7 290 295 A H H <5S- 0 0 56 -4,-1.6 -1,-0.2 2,-0.3 -2,-0.2 0.626 104.4-132.3 -80.3 -13.1 37.7 23.3 11.8 291 296 A G T <5S+ 0 0 65 -4,-1.2 2,-0.3 -3,-0.4 -3,-0.2 0.708 79.8 75.9 67.8 22.2 40.0 22.9 8.8 292 297 A Q S > -K 190 0E 41 -16,-0.6 3,-2.7 -2,-0.3 4,-1.0 -0.622 39.4-109.0 -87.8 153.9 43.0 18.1 23.4 311 316 A E H >> S+ 0 0 111 -122,-2.5 3,-0.6 1,-0.3 4,-0.5 0.824 117.9 57.6 -45.8 -41.8 41.5 19.6 26.6 312 317 A D H 34 S+ 0 0 125 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.562 109.3 44.6 -71.1 -8.3 40.5 22.8 24.8 313 318 A T H <> S+ 0 0 5 -3,-2.7 4,-2.5 2,-0.1 5,-0.2 0.583 88.2 89.3-108.3 -15.0 38.4 20.8 22.3 314 319 A V H S+ 0 0 48 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.907 113.6 49.4 -61.4 -43.8 32.8 21.4 21.8 317 322 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.924 108.6 52.4 -67.6 -38.3 33.2 17.9 20.7 318 323 A V H X S+ 0 0 12 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.905 108.5 52.0 -60.3 -40.5 30.9 16.5 23.4 319 324 A A H X S+ 0 0 16 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.855 108.3 51.2 -60.6 -37.6 28.3 19.1 22.3 320 325 A A H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.915 108.0 51.7 -69.8 -39.9 28.7 17.7 18.7 321 326 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.931 110.0 49.7 -57.2 -46.8 28.2 14.1 20.0 322 327 A R H < S+ 0 0 95 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.879 112.2 49.0 -60.4 -39.3 25.0 15.3 21.7 323 328 A H H < S+ 0 0 61 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.938 118.3 36.8 -63.1 -50.2 23.9 16.9 18.5 324 329 A S H < S+ 0 0 3 -4,-2.9 33,-3.0 1,-0.3 -2,-0.2 0.732 132.3 28.5 -80.2 -22.0 24.5 13.9 16.3 325 330 A F S < S- 0 0 2 -4,-2.6 -1,-0.3 -5,-0.3 36,-0.2 -0.597 83.1-151.6-135.9 71.6 23.4 11.3 18.8 326 331 A P - 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