==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JAN-05 1YH8 . COMPND 2 MOLECULE: UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR M.HERNICK,H.A.GENNADIOS,D.A.WHITTINGTON,K.M.RUSCHE, . 532 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22542.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 361 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 20.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 8 1.5 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 . 42 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 17.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 2 2 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 3 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 PARALLEL BRIDGES PER LADDER . 2 2 2 4 4 4 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 . 4 4 0 4 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 G 0 0 40 0, 0.0 119,-3.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 149.2 9.4 60.9 -5.1 2 3 A L E -A 119 0A 71 117,-0.3 117,-0.2 1,-0.1 115,-0.1 -0.771 360.0 -99.7 -97.9 143.2 6.2 62.8 -5.9 3 4 A E E - 0 0 21 115,-2.6 113,-2.6 -2,-0.3 2,-0.3 -0.232 47.6-159.4 -55.1 148.7 6.2 66.5 -6.6 4 5 A K E +A 115 0A 27 78,-0.4 81,-2.3 111,-0.2 80,-2.1 -0.916 21.5 167.0-133.8 161.2 5.2 68.5 -3.5 5 6 A T E -A 114 0A 2 109,-1.4 109,-2.4 -2,-0.3 2,-0.3 -0.782 43.8 -73.4-150.6-169.2 3.8 71.9 -2.6 6 7 A V E -A 113 0A 0 79,-0.4 107,-0.2 -2,-0.2 3,-0.1 -0.693 22.9-134.8-101.1 155.2 2.3 73.4 0.6 7 8 A K S S- 0 0 122 105,-2.1 2,-0.3 -2,-0.3 106,-0.1 0.688 89.1 -9.5 -75.6 -18.7 -1.2 72.7 2.0 8 9 A E S S- 0 0 115 104,-0.4 -1,-0.2 19,-0.1 19,-0.1 -0.972 94.4 -61.6-170.4 162.8 -1.6 76.5 2.5 9 10 A K - 0 0 137 -2,-0.3 2,-0.4 -3,-0.1 19,-0.2 -0.202 45.2-166.0 -54.6 142.4 0.3 79.8 2.4 10 11 A L E -B 27 0B 13 17,-1.3 17,-3.2 2,-0.0 2,-0.3 -1.000 6.3-165.7-131.8 128.4 3.1 80.1 4.9 11 12 A S E -B 26 0B 69 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.886 10.3-176.7-122.3 152.9 4.7 83.4 5.6 12 13 A F E -B 25 0B 11 13,-1.5 13,-3.9 -2,-0.3 2,-0.3 -0.980 6.5-176.0-139.9 149.2 7.9 84.6 7.3 13 14 A E E +B 24 0B 109 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.979 22.3 105.0-146.2 159.1 9.1 88.1 8.1 14 15 A G E -B 23 0B 21 9,-2.4 9,-2.7 -2,-0.3 2,-0.2 -0.968 63.9 -47.4 161.2-167.8 12.2 89.8 9.5 15 16 A V E -B 22 0B 54 -2,-0.3 82,-2.2 7,-0.3 83,-0.6 -0.556 50.5-115.4 -92.2 156.9 15.2 91.8 8.5 16 17 A G > - 0 0 0 5,-1.9 4,-2.0 80,-0.2 54,-0.1 -0.799 17.7-134.9 -92.6 133.2 17.6 91.0 5.7 17 18 A I T 4 S+ 0 0 17 -2,-0.5 179,-2.9 78,-0.4 180,-0.7 0.845 103.3 30.1 -56.8 -33.2 21.1 90.2 6.9 18 19 A H T 4 S+ 0 0 13 176,-0.3 177,-2.3 177,-0.2 -1,-0.2 0.896 124.7 39.9 -93.5 -47.1 22.6 92.3 4.1 19 20 A T T 4 S- 0 0 29 176,-0.2 -2,-0.2 175,-0.1 3,-0.1 0.815 84.9-144.3 -74.0 -31.8 20.0 95.1 3.4 20 21 A G < + 0 0 33 -4,-2.0 2,-0.2 1,-0.3 -3,-0.1 0.425 60.3 125.6 80.1 -3.2 19.1 95.7 7.1 21 22 A E - 0 0 93 1,-0.1 -5,-1.9 -6,-0.1 -1,-0.3 -0.534 68.3-105.6 -89.7 155.0 15.6 96.3 5.7 22 23 A Y E +B 15 0B 129 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.3 -0.441 45.7 172.0 -73.5 152.3 12.4 94.5 6.9 23 24 A S E -B 14 0B 1 -9,-2.7 -9,-2.4 69,-0.1 2,-0.3 -0.981 18.8-151.3-160.8 154.4 11.0 91.9 4.5 24 25 A K E -BC 13 91B 56 67,-2.0 67,-2.8 -2,-0.3 2,-0.3 -0.978 4.1-153.3-135.0 146.1 8.3 89.3 4.3 25 26 A L E -BC 12 90B 0 -13,-3.9 -13,-1.5 -2,-0.3 2,-0.3 -0.849 5.0-170.9-114.5 153.1 7.9 86.0 2.5 26 27 A I E -BC 11 89B 24 63,-1.4 63,-2.6 -2,-0.3 2,-0.6 -0.847 11.2-155.2-146.7 102.5 4.7 84.3 1.5 27 28 A I E -BC 10 88B 0 -17,-3.2 -17,-1.3 -2,-0.3 61,-0.2 -0.718 16.2-164.7 -82.5 116.4 5.0 80.7 0.1 28 29 A H E - C 0 87B 38 59,-2.1 59,-1.6 -2,-0.6 -22,-0.1 -0.763 21.0-111.8-103.4 148.4 2.0 80.0 -2.1 29 30 A P E - C 0 86B 49 0, 0.0 2,-0.3 0, 0.0 57,-0.2 -0.404 35.9-170.1 -73.9 154.2 0.9 76.5 -3.3 30 31 A E - 0 0 51 55,-1.0 55,-0.1 -24,-0.1 3,-0.1 -0.985 21.6-102.6-145.4 153.9 1.2 75.8 -7.0 31 32 A K > - 0 0 156 -2,-0.3 3,-1.5 1,-0.2 4,-0.3 -0.189 56.6 -64.5 -74.0 167.6 0.1 73.0 -9.4 32 33 A E T 3 S+ 0 0 44 1,-0.2 -1,-0.2 2,-0.1 -27,-0.0 -0.073 119.2 19.8 -49.3 146.0 2.2 70.2 -10.8 33 34 A G T 3 S+ 0 0 47 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.518 89.8 114.6 70.4 7.1 5.1 71.1 -13.1 34 35 A T < - 0 0 39 -3,-1.5 51,-0.1 1,-0.1 -2,-0.1 0.927 58.0-158.4 -73.4 -49.8 5.2 74.7 -11.9 35 36 A G - 0 0 24 -4,-0.3 51,-1.3 49,-0.3 2,-0.5 -0.251 32.6 -53.1 93.1 175.4 8.6 74.8 -10.3 36 37 A I E +d 86 0B 18 202,-0.2 11,-2.6 49,-0.2 2,-0.3 -0.812 66.4 159.6 -93.7 126.6 10.1 77.0 -7.6 37 38 A R E -dE 87 46B 70 49,-2.0 51,-2.7 -2,-0.5 2,-0.2 -0.998 31.4-135.0-148.0 146.0 9.8 80.7 -8.5 38 39 A F E -dE 88 45B 0 7,-3.2 7,-2.7 -2,-0.3 2,-0.4 -0.615 14.9-150.0 -96.9 160.3 9.9 84.0 -6.6 39 40 A F E +dE 89 44B 51 49,-2.5 51,-3.2 5,-0.2 2,-0.3 -0.989 22.2 161.3-134.6 125.2 7.5 86.8 -7.1 40 41 A K E > - E 0 43B 9 3,-2.4 3,-3.1 -2,-0.4 51,-0.1 -0.988 66.9 -16.6-147.1 135.4 8.3 90.5 -6.6 41 42 A N T 3 S- 0 0 115 49,-0.4 3,-0.1 -2,-0.3 -1,-0.1 0.855 129.5 -47.7 37.1 51.4 6.7 93.7 -7.8 42 43 A G T 3 S+ 0 0 57 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.509 115.5 115.4 75.1 5.4 4.7 91.8 -10.5 43 44 A V E < -E 40 0B 26 -3,-3.1 -3,-2.4 20,-0.0 2,-0.6 -0.918 56.6-143.3-115.6 133.9 7.7 89.8 -11.7 44 45 A Y E -E 39 0B 104 -2,-0.4 -5,-0.2 -5,-0.2 22,-0.1 -0.807 14.3-168.7 -93.0 124.9 8.3 86.1 -11.6 45 46 A I E -E 38 0B 0 -7,-2.7 -7,-3.2 -2,-0.6 18,-0.1 -0.914 17.4-138.1-116.0 103.7 11.9 85.1 -10.9 46 47 A P E -E 37 0B 37 0, 0.0 2,-2.6 0, 0.0 -9,-0.3 -0.282 20.0-119.8 -58.6 140.3 12.5 81.4 -11.5 47 48 A A S S+ 0 0 5 -11,-2.6 191,-0.4 191,-0.1 2,-0.3 -0.444 74.6 124.1 -80.5 66.4 14.8 79.8 -8.8 48 49 A R S > S- 0 0 84 -2,-2.6 3,-2.1 189,-0.1 189,-0.2 -0.941 75.3-113.4-130.2 153.5 17.2 78.9 -11.6 49 50 A H G > S+ 0 0 22 187,-2.2 3,-1.6 -2,-0.3 188,-0.1 0.739 108.2 69.9 -54.2 -29.8 20.9 79.5 -12.3 50 51 A E G 3 S+ 0 0 96 1,-0.3 -1,-0.3 186,-0.2 -3,-0.1 0.703 99.1 51.5 -64.4 -17.6 20.2 81.7 -15.3 51 52 A F G < S+ 0 0 36 -3,-2.1 11,-2.2 -5,-0.2 2,-0.3 0.343 76.3 121.5-102.2 5.6 18.8 84.4 -13.0 52 53 A V E < +F 61 0C 24 -3,-1.6 9,-0.3 9,-0.2 3,-0.1 -0.532 28.3 168.9 -69.1 129.5 21.8 84.6 -10.6 53 54 A V E + 0 0 59 7,-2.6 2,-0.3 1,-0.3 8,-0.2 0.446 61.8 21.1-122.1 -3.0 23.1 88.1 -10.6 54 55 A H E +F 60 0C 55 6,-1.0 6,-2.5 1,-0.1 -1,-0.3 -0.959 44.4 174.4-163.6 144.3 25.4 88.1 -7.6 55 56 A T + 0 0 29 -2,-0.3 2,-0.7 4,-0.2 198,-0.5 0.290 45.7 111.2-139.6 11.0 27.4 85.6 -5.6 56 57 A N S S- 0 0 83 1,-0.2 195,-0.0 196,-0.1 0, 0.0 -0.812 102.1 -15.5 -93.8 119.0 29.6 87.4 -3.1 57 58 A H S S+ 0 0 79 -2,-0.7 2,-0.3 136,-0.0 -1,-0.2 0.466 141.0 20.1 70.4 0.7 28.4 86.9 0.5 58 59 A S S S- 0 0 0 2,-0.0 2,-0.7 14,-0.0 11,-0.0 -0.917 80.9-106.3 176.5 160.6 25.1 85.6 -0.8 59 60 A T - 0 0 0 -2,-0.3 12,-2.1 -4,-0.1 13,-0.4 -0.925 41.9-172.3-105.4 115.8 23.3 84.1 -3.8 60 61 A D E -F 54 0C 2 -6,-2.5 -7,-2.6 -2,-0.7 -6,-1.0 -0.853 9.7-158.9-113.2 146.6 21.1 86.7 -5.4 61 62 A L E +FG 52 68C 0 7,-2.5 7,-2.9 -2,-0.3 2,-0.3 -0.838 14.3 170.9-118.8 157.5 18.6 86.4 -8.2 62 63 A G E + G 0 67C 7 -11,-2.2 2,-0.3 -2,-0.3 5,-0.3 -0.985 9.3 173.5-163.7 154.1 17.1 89.0 -10.5 63 69 A F E > - G 0 66C 88 3,-2.6 3,-2.2 -2,-0.3 -12,-0.0 -0.930 67.5 -0.8-165.5 141.2 15.0 89.5 -13.6 64 70 A K T 3 S- 0 0 164 -2,-0.3 3,-0.1 1,-0.3 -19,-0.0 0.859 131.8 -46.8 43.9 48.3 13.5 92.4 -15.6 65 71 A G T 3 S+ 0 0 75 1,-0.2 2,-0.5 -22,-0.0 -1,-0.3 0.535 116.6 110.8 77.4 6.2 14.8 94.9 -13.2 66 72 A Q E < -G 63 0C 45 -3,-2.2 -3,-2.6 -22,-0.1 2,-0.3 -0.963 43.9-174.7-118.1 129.9 13.7 93.1 -10.0 67 73 A R E -G 62 0C 128 -2,-0.5 2,-0.4 -5,-0.3 -5,-0.3 -0.913 13.7-166.4-126.3 149.8 16.2 91.5 -7.6 68 74 A I E -G 61 0C 0 -7,-2.9 -7,-2.5 -2,-0.3 2,-0.3 -0.995 17.8-144.7-133.5 126.2 16.0 89.3 -4.5 69 75 A K B +h 94 0D 33 24,-2.2 26,-2.6 -2,-0.4 -9,-0.2 -0.697 66.5 12.2 -97.0 147.3 19.0 88.8 -2.2 70 76 A T + 0 0 7 -2,-0.3 4,-0.3 24,-0.2 25,-0.2 0.985 59.0 157.5 58.9 72.8 20.1 85.7 -0.3 71 77 A V > + 0 0 0 -12,-2.1 4,-2.3 -3,-0.2 5,-0.2 0.529 48.6 93.3 -99.0 -8.4 17.9 82.9 -1.6 72 78 A E H > S+ 0 0 6 -13,-0.4 4,-1.8 1,-0.2 -1,-0.1 0.812 82.4 48.2 -55.5 -41.2 20.2 80.1 -0.5 73 79 A H H > S+ 0 0 13 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 115.2 41.8 -72.5 -42.5 18.7 79.3 2.9 74 80 A I H > S+ 0 0 0 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.899 116.9 49.3 -71.6 -38.0 15.0 79.1 1.8 75 81 A L H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.878 108.1 54.3 -67.0 -36.8 16.0 77.2 -1.4 76 82 A S H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.950 110.1 46.1 -60.8 -49.2 18.1 74.7 0.7 77 83 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.903 113.3 49.5 -59.9 -41.8 15.2 74.0 2.9 78 84 A L H X>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 4,-0.5 0.873 111.4 50.1 -65.5 -36.0 12.9 73.6 -0.1 79 85 A H H <5S+ 0 0 6 -4,-2.6 3,-0.3 3,-0.2 -2,-0.2 0.902 111.3 48.2 -68.9 -40.6 15.5 71.3 -1.7 80 86 A L H <5S+ 0 0 18 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.915 115.2 42.6 -67.0 -44.2 15.7 69.1 1.5 81 87 A L H <5S- 0 0 15 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.527 108.8-126.9 -79.9 -4.6 12.0 68.7 1.9 82 88 A E T <5 + 0 0 36 -4,-0.5 2,-0.5 -3,-0.3 -78,-0.4 0.846 45.4 167.5 62.6 35.1 11.7 68.2 -1.8 83 89 A I < + 0 0 0 -5,-2.0 -1,-0.2 -6,-0.2 -78,-0.2 -0.701 4.8 173.1 -77.4 128.6 9.0 70.9 -2.3 84 90 A T + 0 0 9 -80,-2.1 2,-0.5 -2,-0.5 -49,-0.3 0.662 55.5 51.0-115.0 -19.7 8.8 71.4 -6.1 85 91 A N + 0 0 1 -81,-2.3 -55,-1.0 -51,-0.1 -79,-0.4 -0.863 69.8 116.8-129.0 101.8 5.9 73.7 -6.8 86 92 A V E -Cd 29 36B 0 -51,-1.3 -49,-2.0 -2,-0.5 2,-0.6 -0.991 49.5-135.8-157.2 154.7 5.7 77.1 -5.0 87 93 A T E -Cd 28 37B 4 -59,-1.6 -59,-2.1 -2,-0.3 2,-1.1 -0.952 19.4-152.5-116.0 109.4 5.7 80.8 -5.6 88 94 A I E -Cd 27 38B 0 -51,-2.7 -49,-2.5 -2,-0.6 2,-0.4 -0.721 12.5-154.7 -86.6 99.8 7.8 82.6 -3.0 89 95 A E E -Cd 26 39B 58 -63,-2.6 -63,-1.4 -2,-1.1 2,-0.6 -0.621 9.2-157.9 -75.1 125.7 6.2 86.1 -2.8 90 96 A V E -C 25 0B 7 -51,-3.2 2,-0.9 -2,-0.4 -49,-0.4 -0.928 17.8-172.8-117.2 121.2 8.8 88.6 -1.6 91 97 A I E S+C 24 0B 88 -67,-2.8 -67,-2.0 -2,-0.6 2,-0.3 -0.880 72.6 20.1-105.4 94.5 7.9 91.9 -0.0 92 98 A G S S- 0 0 23 -2,-0.9 -69,-0.1 -69,-0.2 -2,-0.1 -0.871 98.1 -78.9 138.3-169.4 11.3 93.5 0.2 93 99 A N S S+ 0 0 67 -2,-0.3 -24,-2.2 -71,-0.3 2,-0.3 0.352 102.9 32.1-112.4 6.4 14.7 93.1 -1.5 94 100 A E B S-h 69 0D 1 -26,-0.3 -24,-0.2 -72,-0.1 -1,-0.1 -0.988 84.8 -96.2-158.7 156.7 16.0 90.1 0.3 95 101 A I - 0 0 4 -26,-2.6 -78,-0.4 -2,-0.3 -82,-0.1 -0.598 53.7-100.8 -76.6 133.2 14.9 86.9 2.1 96 102 A P - 0 0 3 0, 0.0 -80,-0.2 0, 0.0 -1,-0.1 -0.340 27.0-151.5 -55.9 133.0 14.5 87.4 5.9 97 103 A I > + 0 0 6 -82,-2.2 3,-2.1 1,-0.2 4,-0.2 0.784 26.1 176.2 -77.9 -28.3 17.6 85.9 7.5 98 104 A L T 3 S- 0 0 33 -83,-0.6 -1,-0.2 1,-0.3 -83,-0.1 -0.359 70.3 -14.4 57.9-129.8 15.8 85.0 10.8 99 105 A D T 3 S- 0 0 39 2,-0.2 -1,-0.3 -2,-0.1 79,-0.1 0.484 99.9-102.3 -84.1 -0.5 18.2 83.2 13.1 100 106 A G S < S+ 0 0 0 -3,-2.1 78,-0.2 1,-0.4 2,-0.2 0.303 95.7 73.3 100.4 -9.6 20.7 82.5 10.4 101 107 A S S S- 0 0 3 76,-0.2 -1,-0.4 -4,-0.2 4,-0.2 -0.461 90.3-103.5-119.0-166.0 19.9 78.9 9.8 102 108 A G S > S+ 0 0 0 72,-1.5 4,-3.0 71,-0.2 73,-0.2 0.239 82.9 109.5-108.2 14.7 17.0 77.1 8.1 103 109 A W H > S+ 0 0 90 71,-0.7 4,-2.9 2,-0.2 5,-0.3 0.942 79.0 41.6 -54.9 -60.9 15.2 75.9 11.3 104 110 A E H > S+ 0 0 91 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.934 118.3 48.1 -55.8 -48.2 12.1 78.1 11.2 105 111 A F H > S+ 0 0 4 -4,-0.2 4,-2.4 1,-0.2 5,-0.3 0.940 113.9 47.9 -55.8 -50.2 11.7 77.6 7.5 106 112 A Y H X S+ 0 0 14 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.923 110.0 49.8 -58.6 -51.8 12.1 73.8 7.9 107 113 A E H X S+ 0 0 31 -4,-2.9 4,-0.8 2,-0.2 -1,-0.2 0.865 115.3 42.9 -57.9 -41.4 9.7 73.3 10.8 108 114 A A H >< S+ 0 0 24 -4,-1.9 3,-0.6 -5,-0.3 -2,-0.2 0.950 117.5 43.2 -72.6 -50.4 6.9 75.2 9.1 109 115 A I H >< S+ 0 0 0 -4,-2.4 3,-1.7 -5,-0.3 -2,-0.2 0.876 106.0 64.7 -64.5 -35.8 7.2 73.8 5.6 110 116 A R H 3< S+ 0 0 79 -4,-2.6 3,-0.5 -5,-0.3 -1,-0.2 0.803 105.2 42.4 -58.7 -34.1 7.7 70.2 7.0 111 117 A K T << S+ 0 0 127 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.151 111.1 56.2-102.1 21.4 4.3 70.0 8.5 112 118 A N S < S+ 0 0 29 -3,-1.7 -105,-2.1 -107,-0.0 -104,-0.4 -0.065 73.5 139.1-137.6 30.0 2.5 71.6 5.5 113 120 A I E -A 6 0A 39 -3,-0.5 2,-0.5 -107,-0.2 -107,-0.2 -0.564 32.3-166.0 -80.2 140.7 3.6 69.3 2.7 114 121 A L E -A 5 0A 82 -109,-2.4 -109,-1.4 -2,-0.2 2,-0.1 -0.941 13.8-141.0-130.7 109.0 1.1 68.3 0.1 115 122 A N E -A 4 0A 95 -2,-0.5 -111,-0.2 -111,-0.2 2,-0.1 -0.451 23.9-160.1 -69.0 141.5 2.0 65.4 -2.2 116 123 A Q E - 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0 0 40 -3,-0.1 -3,-3.8 0, 0.0 2,-0.6 -0.996 65.5-133.9-150.6 144.9 40.8 98.5 12.2 477 223 B V B -D 472 0N 26 -2,-0.3 -5,-0.2 -5,-0.2 5,-0.1 -0.917 14.2-161.6-102.1 116.3 37.5 100.3 12.9 478 224 B Y + 0 0 8 -7,-2.1 -1,-0.2 -2,-0.6 -6,-0.1 0.920 64.1 94.0 -63.3 -45.1 34.5 98.0 12.3 479 225 B N S > S- 0 0 4 -8,-0.6 3,-1.9 1,-0.2 -2,-0.1 -0.236 72.3-142.5 -53.7 125.9 32.0 100.7 12.0 480 226 B P T 3 S+ 0 0 72 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.811 100.2 60.3 -60.4 -28.9 31.4 101.7 8.4 481 227 B E T 3 S- 0 0 95 1,-0.2 -2,-0.1 0, 0.0 -3,-0.1 0.491 96.9-153.4 -77.6 -3.8 31.0 105.4 9.5 482 228 B G < - 0 0 23 -3,-1.9 2,-0.3 -5,-0.1 -1,-0.2 -0.062 39.3 -32.8 61.2-166.7 34.6 105.4 10.9 483 229 B L - 0 0 44 1,-0.1 3,-0.1 -13,-0.0 -40,-0.0 -0.684 39.9-146.9 -91.0 141.4 35.6 107.7 13.7 484 230 B R S S+ 0 0 102 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.821 93.6 15.6 -71.7 -31.6 34.1 111.2 14.1 485 231 B Y S > S- 0 0 51 1,-0.1 3,-2.2 -3,-0.0 -1,-0.2 -0.983 80.6-119.5-139.2 147.3 37.5 112.3 15.5 486 232 B E T 3 S+ 0 0 139 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.782 121.7 35.6 -58.1 -22.4 40.9 110.6 15.3 487 233 B N T 3> S+ 0 0 21 1,-0.1 4,-1.7 2,-0.1 3,-0.3 -0.055 73.9 133.1-120.1 30.6 40.7 110.6 19.1 488 234 B E H <> + 0 0 0 -3,-2.2 4,-2.1 1,-0.2 5,-0.2 0.853 69.7 61.7 -50.9 -35.9 36.9 110.1 19.6 489 235 B P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.959 105.5 41.2 -59.4 -52.6 37.8 107.4 22.2 490 236 B V H > S+ 0 0 0 -3,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.805 112.1 57.9 -67.5 -25.0 39.6 109.6 24.7 491 237 B R H X S+ 0 0 30 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.896 106.3 48.7 -68.4 -38.5 37.0 112.3 24.2 492 238 B H H X S+ 0 0 3 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.873 105.8 58.1 -67.9 -35.2 34.4 109.9 25.3 493 239 B K H X S+ 0 0 44 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.896 106.5 48.0 -61.5 -37.3 36.5 109.0 28.3 494 240 B V H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.935 109.1 54.3 -66.7 -43.3 36.4 112.7 29.3 495 241 B F H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.925 110.8 46.2 -54.2 -47.5 32.7 112.7 28.7 496 242 B D H >X S+ 0 0 10 -4,-2.8 4,-2.9 2,-0.2 3,-0.6 0.955 110.6 51.0 -61.5 -52.6 32.3 109.7 31.1 497 243 B L H 3X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.3 -1,-0.2 0.902 108.2 53.5 -52.5 -43.7 34.6 111.2 33.8 498 244 B I H 3X S+ 0 0 0 -4,-2.7 4,-1.0 1,-0.2 -1,-0.3 0.839 110.5 47.2 -62.4 -32.7 32.6 114.4 33.7 499 245 B G H << S+ 0 0 0 -4,-1.4 3,-0.4 -3,-0.6 4,-0.3 0.924 111.8 49.3 -73.6 -44.6 29.4 112.4 34.3 500 246 B D H >< S+ 0 0 1 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.860 106.2 58.3 -62.7 -34.3 30.9 110.4 37.1 501 247 B L H >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.3 5,-0.3 0.847 91.2 68.2 -65.3 -33.0 32.1 113.6 38.8 502 248 B Y G >< S+ 0 0 9 -4,-1.0 3,-1.8 -3,-0.4 -1,-0.3 0.659 79.9 79.9 -61.9 -12.9 28.6 115.0 39.0 503 249 B L G < + 0 0 0 -3,-1.4 -187,-2.1 -4,-0.3 -1,-0.3 0.531 69.5 85.2 -70.6 -3.8 28.0 112.2 41.5 504 250 B L G < S- 0 0 8 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.626 114.3-109.0 -71.2 -11.5 29.8 114.6 43.9 505 251 B G S < S+ 0 0 33 -3,-1.8 -202,-0.2 -191,-0.4 -2,-0.1 0.235 86.4 32.7 104.9 -12.9 26.3 116.1 44.3 506 252 B S S S- 0 0 27 -5,-0.3 -2,-0.2 -204,-0.1 -116,-0.1 -0.981 101.4 -57.9-166.1 161.4 26.8 119.4 42.5 507 253 B P - 0 0 4 0, 0.0 -117,-2.6 0, 0.0 2,-0.3 -0.141 61.3-130.3 -45.9 137.0 28.6 121.1 39.6 508 254 B V E -x 390 0L 1 -119,-0.2 2,-0.5 -10,-0.1 -117,-0.2 -0.723 20.1-165.8-102.4 146.0 32.4 120.6 40.0 509 255 B K E +x 391 0L 26 -119,-2.3 -117,-1.9 -2,-0.3 -99,-0.4 -0.946 46.7 95.3-128.3 106.2 35.2 123.2 39.9 510 256 B G - 0 0 0 -2,-0.5 -96,-2.6 -98,-0.3 2,-0.6 -0.971 68.8-100.7-176.9 169.6 38.6 121.6 39.6 511 257 B K E -Zb 408 414M 81 -103,-2.8 -103,-2.0 -2,-0.3 2,-0.4 -0.938 39.7-171.4-111.7 117.9 41.4 120.4 37.3 512 258 B F E -Zb 407 415M 3 -98,-3.9 -96,-2.1 -2,-0.6 2,-0.4 -0.865 15.2-172.4-115.7 146.1 41.5 116.7 36.6 513 259 B Y E -Zb 406 416M 61 -107,-2.6 -107,-3.2 -2,-0.4 2,-0.5 -0.983 9.0-171.1-133.3 119.8 44.0 114.5 34.9 514 260 B S E -Zb 405 417M 0 -98,-3.0 -96,-3.1 -2,-0.4 2,-0.8 -0.948 8.9-165.8-120.0 118.8 43.1 110.8 34.2 515 261 B F E S-Zb 404 418M 33 -111,-3.7 -111,-2.5 -2,-0.5 -96,-0.2 -0.861 82.2 -29.5-102.5 101.4 45.6 108.3 32.9 516 262 B R S S+ 0 0 59 -98,-2.4 -1,-0.2 -2,-0.8 -97,-0.1 0.702 94.9 167.8 66.0 22.6 43.7 105.2 31.7 517 263 B G - 0 0 2 -113,-0.3 2,-0.3 -99,-0.2 -1,-0.1 -0.085 13.9-175.1 -64.4 166.0 40.9 105.8 34.2 518 264 B G > - 0 0 19 -22,-0.0 4,-3.1 -21,-0.0 3,-0.4 -0.926 46.4 -77.5-151.2 173.0 37.5 104.1 34.2 519 265 B H H > S+ 0 0 21 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.843 126.2 53.5 -44.8 -44.3 34.2 104.3 36.1 520 266 B S H > S+ 0 0 59 -198,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.930 114.3 38.9 -59.6 -49.5 35.7 102.4 39.0 521 267 B L H > S+ 0 0 8 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.906 113.3 57.5 -68.3 -40.8 38.6 104.7 39.5 522 268 B N H X S+ 0 0 4 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.921 111.5 41.7 -53.9 -48.3 36.4 107.7 38.8 523 269 B V H X S+ 0 0 7 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.883 109.7 57.3 -69.4 -38.2 34.1 106.7 41.6 524 270 B K H X S+ 0 0 90 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.916 110.8 45.6 -58.4 -39.6 37.0 105.9 43.9 525 271 B L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.948 109.4 54.0 -66.4 -50.1 38.2 109.4 43.3 526 272 B V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.916 109.7 48.1 -50.4 -48.1 34.7 110.9 43.8 527 273 B K H X S+ 0 0 88 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.885 109.6 52.6 -63.1 -39.8 34.4 109.2 47.2 528 274 B E H X S+ 0 0 68 -4,-1.8 4,-2.9 -5,-0.2 5,-0.2 0.984 110.8 47.2 -57.9 -58.9 37.9 110.3 48.3 529 275 B L H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.905 114.4 45.8 -48.3 -52.2 37.1 113.9 47.5 530 276 B A H < S+ 0 0 25 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.938 112.6 51.5 -58.1 -48.9 33.7 113.8 49.3 531 277 B K H < S+ 0 0 177 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.948 109.6 49.2 -53.3 -54.7 35.2 112.1 52.3 532 278 B K H < 0 0 88 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.869 360.0 360.0 -54.9 -42.0 38.0 114.6 52.7 533 279 B Q < 0 0 88 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 -0.411 360.0 360.0 -96.8 360.0 35.6 117.6 52.5