==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JUL-04 1U0L . COMPND 2 MOLECULE: PROBABLE GTPASE ENGC; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR D.H.SHIN,Y.LOU,J.JARU,R.KIM,H.YOKOTA,S.H.KIM,BERKELEY . 834 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 548 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.1 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 . 3 0.4 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 . 89 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 3 0 1 0 8 0 0 0 0 3 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 4 3 0 3 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 . 1 4 4 7 0 3 0 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 . 2 1 0 1 4 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 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 L 0 0 175 0, 0.0 48,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.3 37.3 37.5 2.5 2 4 A R + 0 0 126 48,-0.1 2,-0.4 46,-0.1 48,-0.2 -0.040 360.0 177.6 -39.2 121.1 38.4 41.2 3.0 3 5 A R E -A 49 0A 75 46,-2.1 46,-2.6 18,-0.0 2,-0.3 -0.990 24.4-126.5-133.2 141.8 37.8 42.3 6.5 4 6 A R E +A 48 0A 101 -2,-0.4 16,-2.5 44,-0.2 17,-0.6 -0.654 35.8 161.7 -89.7 142.5 38.5 45.7 8.2 5 7 A G E -AB 47 19A 0 42,-3.9 42,-4.0 -2,-0.3 2,-0.5 -0.962 35.4-121.4-152.3 167.1 40.6 45.9 11.4 6 8 A I E -AB 46 18A 5 12,-2.0 12,-1.9 -2,-0.3 40,-0.2 -0.961 31.3-122.6-114.8 129.0 42.6 48.2 13.6 7 9 A V E + B 0 17A 0 38,-3.3 37,-1.8 -2,-0.5 10,-0.2 -0.513 34.1 171.5 -68.5 137.1 46.2 47.4 14.4 8 10 A V E - 0 0 1 8,-2.4 188,-2.2 1,-0.4 2,-0.3 0.579 53.9 -15.2-124.8 -15.1 46.8 47.1 18.1 9 11 A S E - B 0 16A 11 7,-1.1 7,-2.7 186,-0.2 2,-0.6 -0.971 54.3-112.3-177.0 167.5 50.2 45.8 18.7 10 12 A F E + B 0 15A 35 184,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.916 38.0 174.6-120.6 104.9 53.3 44.0 17.3 11 13 A H E > - B 0 14A 120 3,-1.6 3,-2.6 -2,-0.6 -2,-0.1 -0.793 60.9 -8.3-110.4 150.6 53.9 40.5 18.7 12 14 A S T 3 S- 0 0 70 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.756 127.2 -54.7 30.2 49.9 56.5 37.9 17.7 13 15 A N T 3 S+ 0 0 25 1,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.822 121.1 101.7 60.1 34.5 57.7 39.9 14.7 14 16 A M E < S-B 11 0A 51 -3,-2.6 -3,-1.6 514,-0.1 2,-0.4 -0.993 76.2-106.7-146.7 150.6 54.1 40.0 13.4 15 17 A V E -BC 10 28A 0 13,-0.9 13,-1.9 -2,-0.3 2,-0.6 -0.648 25.5-151.9 -82.4 128.0 51.2 42.5 13.3 16 18 A T E -BC 9 27A 11 -7,-2.7 -8,-2.4 -2,-0.4 -7,-1.1 -0.878 18.8-172.7 -99.4 119.8 48.2 41.9 15.6 17 19 A V E -BC 7 26A 0 9,-2.8 9,-1.5 -2,-0.6 2,-0.4 -0.789 16.2-141.9-113.1 158.8 45.0 43.3 14.3 18 20 A E E -BC 6 25A 16 -12,-1.9 -12,-2.0 -2,-0.3 2,-0.4 -0.955 29.0-110.2-118.0 137.6 41.5 43.6 15.8 19 21 A D E > -B 5 0A 12 5,-1.4 4,-1.6 -2,-0.4 -14,-0.3 -0.529 17.1-151.5 -72.6 120.1 38.4 43.0 13.8 20 22 A E T 4 S+ 0 0 93 -16,-2.5 -15,-0.2 -2,-0.4 -1,-0.2 0.840 90.7 52.4 -56.8 -38.1 36.4 46.2 13.2 21 23 A E T 4 S- 0 0 139 -17,-0.6 -16,-0.0 1,-0.1 -1,-0.0 0.915 138.3 -48.6 -62.3 -98.5 33.2 44.3 13.0 22 24 A T T 4 S+ 0 0 128 2,-0.0 2,-0.3 0, 0.0 -2,-0.2 -0.536 93.1 145.0-140.1 64.4 32.9 42.1 16.2 23 25 A G < - 0 0 21 -4,-1.6 2,-0.1 1,-0.1 -5,-0.0 -0.711 41.7-137.1-115.6 164.0 36.3 40.5 16.2 24 26 A E - 0 0 150 -2,-0.3 -5,-1.4 -6,-0.1 2,-1.2 -0.067 57.7 -57.8 -91.9-163.7 39.0 39.2 18.5 25 27 A R E -C 18 0A 124 -7,-0.2 2,-0.6 -2,-0.1 -7,-0.2 -0.680 55.4-172.0 -88.0 93.4 42.7 39.6 18.2 26 28 A I E -C 17 0A 32 -9,-1.5 -9,-2.8 -2,-1.2 2,-0.1 -0.745 15.8-141.0 -86.7 120.4 43.7 38.1 14.9 27 29 A L E -C 16 0A 48 -2,-0.6 30,-0.7 -11,-0.2 2,-0.3 -0.430 31.0-177.2 -75.6 158.7 47.5 37.9 14.4 28 30 A C E -Cd 15 57A 0 -13,-1.9 -13,-0.9 28,-0.2 2,-0.4 -0.959 30.7-141.5-153.9 172.2 48.7 38.6 10.9 29 31 A K E - d 0 58A 42 28,-0.9 30,-2.9 -2,-0.3 2,-0.5 -0.992 29.0-123.6-136.3 138.8 51.4 39.0 8.3 30 32 A L E + d 0 59A 6 -2,-0.4 2,-0.2 28,-0.2 30,-0.1 -0.756 35.1 177.3 -89.6 129.1 51.6 41.6 5.6 31 33 A R > + 0 0 121 28,-1.6 3,-0.7 -2,-0.5 2,-0.1 -0.467 35.0 45.7-113.8-172.2 51.8 40.3 2.1 32 34 A G G > S- 0 0 41 1,-0.2 3,-0.6 -2,-0.2 4,-0.2 -0.384 108.0 -31.8 80.6-154.3 51.9 41.9 -1.3 33 35 A K G 3> S+ 0 0 131 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.236 92.1 110.5 -93.2 12.1 53.9 44.8 -2.5 34 36 A F G <4>S+ 0 0 8 -3,-0.7 5,-0.5 1,-0.2 485,-0.4 0.829 87.4 55.8 -52.4 -24.2 54.1 46.8 0.8 35 37 A R T <45S+ 0 0 111 -3,-0.6 484,-0.7 483,-0.2 -1,-0.2 0.972 105.4 45.8 -67.7 -59.9 57.7 45.5 0.1 36 38 A L T 45S+ 0 0 107 -4,-0.2 -2,-0.2 482,-0.1 -1,-0.1 0.931 121.9 39.1 -50.8 -54.4 58.0 47.1 -3.3 37 39 A Q T <5S- 0 0 100 -4,-3.0 482,-0.6 2,-0.1 0, 0.0 -0.118 93.1-115.6 -83.1-170.6 56.6 50.4 -2.1 38 40 A N T 5 + 0 0 91 480,-0.1 2,-1.5 2,-0.1 -3,-0.1 -0.289 53.4 150.6-123.8 46.4 57.4 51.8 1.3 39 41 A L < - 0 0 62 -5,-0.5 -2,-0.1 -6,-0.2 2,-0.0 -0.629 30.9-162.1 -83.5 88.0 54.0 51.7 2.9 40 42 A K - 0 0 28 -2,-1.5 2,-0.4 1,-0.0 -2,-0.1 -0.325 4.4-142.1 -69.4 149.4 55.0 51.3 6.6 41 43 A I + 0 0 2 -2,-0.0 2,-0.3 4,-0.0 -1,-0.0 -0.902 20.5 179.0-117.7 145.4 52.4 50.1 9.1 42 44 A Y > - 0 0 37 -2,-0.4 3,-1.7 484,-0.1 2,-0.2 -0.836 39.5 -77.0-137.0 172.7 52.0 51.2 12.7 43 45 A V T 3 S+ 0 0 2 30,-0.4 32,-3.0 -2,-0.3 -35,-0.2 -0.528 119.2 30.8 -69.7 134.6 49.9 50.7 15.8 44 46 A G T 3 S+ 0 0 0 -37,-1.8 2,-0.3 1,-0.4 -1,-0.3 0.393 88.3 136.8 96.8 -5.0 46.6 52.5 15.4 45 47 A D < - 0 0 0 -3,-1.7 -38,-3.3 20,-0.1 2,-0.4 -0.593 53.4-130.9 -79.1 136.6 46.6 51.9 11.6 46 48 A R E +A 6 0A 85 -2,-0.3 17,-2.1 -40,-0.2 2,-0.3 -0.736 36.6 175.7 -86.9 132.6 43.3 50.8 10.1 47 49 A V E -AE 5 62A 0 -42,-4.0 -42,-3.9 -2,-0.4 2,-0.5 -0.951 31.3-140.6-141.0 161.2 43.7 47.8 7.8 48 50 A E E +AE 4 61A 43 13,-2.3 13,-2.1 -2,-0.3 12,-1.4 -0.985 33.7 169.0-120.4 127.7 41.9 45.3 5.7 49 51 A Y E -AE 3 59A 4 -46,-2.6 -46,-2.1 -2,-0.5 10,-0.2 -0.776 38.0-101.1-133.1 175.6 43.1 41.7 5.7 50 52 A T E - E 0 58A 40 8,-3.1 2,-1.9 -2,-0.2 8,-1.6 -0.903 28.5-141.4-104.3 118.4 42.2 38.1 4.7 51 53 A P + 0 0 41 0, 0.0 2,-3.8 0, 0.0 6,-0.2 -0.355 28.2 169.2 -76.4 59.3 40.8 35.9 7.5 52 54 A D - 0 0 58 -2,-1.9 3,-0.1 1,-0.2 -2,-0.1 -0.333 14.1-173.7 -70.9 67.7 42.5 32.5 6.8 53 55 A E + 0 0 158 -2,-3.8 2,-0.8 1,-0.3 3,-0.5 0.632 68.1 87.8 -37.2 -23.2 41.2 31.4 10.2 54 56 A T S S- 0 0 125 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.074 118.7 -10.0 -70.5 30.4 43.2 28.2 9.7 55 57 A G S S- 0 0 40 -2,-0.8 -1,-0.3 1,-0.3 -3,-0.1 0.351 112.8 -64.0 135.2 85.8 46.0 30.3 11.3 56 58 A S S S- 0 0 45 -3,-0.5 -1,-0.3 -5,-0.1 2,-0.3 -0.242 71.4 -94.0 55.9-130.9 45.7 34.0 11.9 57 59 A G E -d 28 0A 1 -30,-0.7 -28,-0.9 -6,-0.2 2,-0.4 -0.934 21.9-108.1-165.5-176.0 45.3 36.2 8.7 58 60 A V E -dE 29 50A 31 -8,-1.6 -8,-3.1 -2,-0.3 2,-0.7 -0.998 26.2-124.0-134.4 135.2 47.2 38.2 6.1 59 61 A I E +dE 30 49A 0 -30,-2.9 -28,-1.6 -2,-0.4 -10,-0.3 -0.677 26.5 177.5 -83.7 115.9 47.2 42.0 5.7 60 62 A E E - 0 0 38 -12,-1.4 2,-0.3 -2,-0.7 -11,-0.2 0.827 63.6 -3.5 -85.1 -35.9 46.1 43.0 2.2 61 63 A N E - E 0 48A 59 -13,-2.1 -13,-2.3 -29,-0.1 2,-0.5 -0.994 53.5-135.5-160.5 153.7 46.1 46.8 2.6 62 64 A V E - E 0 47A 6 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.1 -0.956 29.0-133.4-113.5 117.9 46.7 49.7 5.0 63 65 A L - 0 0 39 -17,-2.1 2,-0.3 -2,-0.5 -17,-0.1 -0.064 36.2 -83.7 -62.0 167.6 44.2 52.6 4.9 64 66 A H - 0 0 190 -19,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.564 45.6-131.3 -77.9 136.0 45.4 56.2 4.9 65 67 A R - 0 0 72 -2,-0.3 3,-0.1 1,-0.1 -20,-0.1 -0.609 8.0-146.3 -90.9 148.1 46.2 57.7 8.3 66 68 A K S S- 0 0 117 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.676 81.7 -26.3 -80.6 -20.2 44.9 61.1 9.6 67 69 A N - 0 0 20 2,-0.0 9,-1.6 -3,-0.0 2,-0.3 -0.971 54.2-130.5-176.8 175.8 48.2 61.5 11.5 68 70 A L E -F 75 0B 49 -2,-0.3 7,-0.2 7,-0.2 5,-0.1 -0.828 14.5-148.5-151.1 105.0 51.1 59.8 13.1 69 71 A L E > -F 74 0B 7 5,-3.0 5,-1.2 -2,-0.3 -2,-0.0 -0.336 27.0-138.1 -65.7 159.9 52.4 60.5 16.6 70 72 A T T 5 + 0 0 72 3,-0.2 -1,-0.1 5,-0.0 141,-0.0 0.766 69.5 31.8 -97.8-104.1 56.1 60.0 16.8 71 73 A K T 5S+ 0 0 37 1,-0.2 2,-1.7 2,-0.1 140,-0.1 0.735 128.3 38.7 -22.2 -83.3 58.4 58.4 19.3 72 74 A P T 5S- 0 0 32 0, 0.0 -1,-0.2 0, 0.0 121,-0.1 -0.613 110.5-132.1 -72.3 102.5 55.9 55.9 20.5 73 75 A H T 5 + 0 0 39 -2,-1.7 121,-0.5 -5,-0.1 -30,-0.4 -0.338 41.1 161.4 -56.5 125.7 54.7 55.5 16.9 74 76 A V E < -F 69 0B 2 -5,-1.2 -5,-3.0 -32,-0.1 2,-0.3 -0.965 22.9-151.8-150.9 134.7 50.9 55.7 16.8 75 77 A A E +F 68 0B 0 -32,-3.0 -7,-0.2 -2,-0.3 -5,-0.0 -0.813 69.9 13.6-110.6 147.1 48.5 56.4 13.9 76 78 A N S S+ 0 0 15 -9,-1.6 2,-0.4 -2,-0.3 87,-0.2 0.891 73.5 173.0 61.8 44.9 45.1 58.0 13.8 77 79 A V + 0 0 0 -3,-0.3 -1,-0.2 1,-0.2 87,-0.1 -0.717 14.2 179.1 -86.2 132.4 45.2 59.5 17.3 78 80 A D + 0 0 36 85,-1.9 31,-2.9 -2,-0.4 2,-0.3 0.852 58.7 40.4 -96.5 -51.0 42.2 61.7 18.1 79 81 A Q E -gh 109 164C 3 84,-1.7 86,-2.6 29,-0.2 2,-0.5 -0.782 49.3-161.0-115.3 155.4 42.8 62.8 21.7 80 82 A V E -gh 110 165C 0 29,-2.0 31,-2.8 -2,-0.3 2,-0.8 -0.994 15.4-155.1-122.4 119.5 45.6 63.9 24.0 81 83 A I E -gh 111 166C 0 84,-3.0 86,-2.6 -2,-0.5 2,-1.0 -0.909 13.1-158.3-100.0 108.3 44.6 63.6 27.6 82 84 A L E -gh 112 167C 1 29,-2.3 31,-3.9 -2,-0.8 2,-0.6 -0.782 3.2-161.2 -93.3 101.1 46.9 66.1 29.3 83 85 A V E -g 113 0C 1 84,-2.8 86,-0.3 -2,-1.0 2,-0.3 -0.734 14.0-172.8 -87.1 124.0 47.3 65.2 32.9 84 86 A V E -g 114 0C 1 29,-3.1 31,-2.6 -2,-0.6 2,-0.4 -0.862 13.1-160.1-119.3 153.1 48.5 68.2 34.9 85 87 A T - 0 0 1 -2,-0.3 6,-3.0 29,-0.2 31,-0.1 -0.994 12.6-175.8-134.8 127.4 49.6 68.6 38.5 86 88 A V S S+ 0 0 16 29,-0.4 -1,-0.1 -2,-0.4 30,-0.1 0.884 82.2 25.4 -87.4 -40.5 49.8 71.9 40.6 87 89 A K S > S+ 0 0 56 3,-0.1 3,-4.6 29,-0.1 4,-0.1 0.073 119.6 23.7 -98.2-150.6 51.3 70.3 43.7 88 90 A M T 3 S+ 0 0 116 1,-0.3 84,-0.1 2,-0.1 -3,-0.1 0.177 135.7 24.7 18.8-106.6 53.5 67.2 43.9 89 91 A P T 3 S- 0 0 40 0, 0.0 -1,-0.3 0, 0.0 83,-0.1 0.791 100.5-147.6 -53.3 -17.1 54.8 66.9 40.4 90 92 A E < - 0 0 143 -3,-4.6 2,-0.6 1,-0.1 -4,-0.2 0.935 7.8-149.9 53.9 97.7 54.4 70.7 39.9 91 93 A T - 0 0 21 -6,-3.0 2,-0.2 -4,-0.1 -1,-0.1 -0.869 4.5-143.7-104.2 122.3 53.6 71.4 36.3 92 94 A S > - 0 0 52 -2,-0.6 4,-2.3 1,-0.1 3,-0.3 -0.518 20.7-123.2 -80.8 149.4 54.7 74.8 34.9 93 95 A T H > S+ 0 0 40 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.858 113.1 62.9 -59.0 -31.9 52.4 76.5 32.4 94 96 A Y H > S+ 0 0 39 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.939 104.9 42.9 -57.8 -49.8 55.4 76.4 30.1 95 97 A I H > S+ 0 0 32 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.930 113.8 54.0 -61.6 -44.0 55.5 72.6 30.0 96 98 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.895 109.7 46.1 -56.7 -44.3 51.7 72.7 29.6 97 99 A D H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.795 108.8 54.9 -72.2 -27.1 51.8 75.0 26.6 98 100 A K H X S+ 0 0 22 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.898 109.8 48.4 -71.1 -37.2 54.6 72.9 25.0 99 101 A F H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.940 113.0 46.5 -64.9 -47.9 52.3 69.9 25.3 100 102 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.913 109.0 55.1 -61.3 -43.3 49.4 71.8 23.8 101 103 A V H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.937 111.0 46.2 -55.0 -46.6 51.6 73.1 21.0 102 104 A L H X S+ 0 0 11 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.899 112.1 49.3 -62.0 -43.9 52.5 69.5 20.2 103 105 A A H <>S+ 0 0 0 -4,-2.5 5,-1.5 2,-0.2 -1,-0.2 0.892 114.3 46.2 -64.0 -39.1 48.8 68.3 20.4 104 106 A E H ><5S+ 0 0 35 -4,-3.0 3,-2.5 3,-0.2 -2,-0.2 0.935 107.7 56.4 -69.7 -45.7 47.8 71.1 18.1 105 107 A K H 3<5S+ 0 0 55 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.882 110.3 44.7 -54.1 -39.8 50.6 70.5 15.7 106 108 A N T 3<5S- 0 0 38 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.302 117.9-117.4 -88.3 11.7 49.4 66.9 15.3 107 109 A E T < 5 + 0 0 161 -3,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.974 60.0 151.0 50.1 73.5 45.9 68.1 15.0 108 110 A L < - 0 0 10 -5,-1.5 2,-0.2 -28,-0.0 -29,-0.2 -0.958 51.2-113.5-133.5 149.5 44.4 66.4 18.0 109 111 A E E -g 79 0C 127 -31,-2.9 -29,-2.0 -2,-0.3 2,-0.4 -0.592 37.9-151.7 -75.2 143.4 41.6 67.2 20.4 110 112 A T E -g 80 0C 6 -2,-0.2 2,-0.5 -31,-0.2 -29,-0.2 -0.981 15.3-168.2-125.0 133.5 43.1 67.9 23.9 111 113 A V E -g 81 0C 1 -31,-2.8 -29,-2.3 -2,-0.4 2,-0.4 -0.965 16.2-147.3-120.3 113.4 41.4 67.3 27.2 112 114 A M E -gi 82 141C 0 28,-2.0 30,-2.3 -2,-0.5 2,-0.5 -0.652 12.6-166.3 -81.6 128.1 43.3 68.9 30.2 113 115 A V E -gi 83 142C 0 -31,-3.9 -29,-3.1 -2,-0.4 2,-1.0 -0.902 12.4-157.7-122.3 107.0 43.0 67.0 33.4 114 116 A I E -gi 84 143C 0 28,-0.9 30,-2.5 -2,-0.5 3,-0.3 -0.690 31.8-169.5 -78.5 104.7 44.1 68.6 36.7 115 117 A N + 0 0 3 -31,-2.6 -29,-0.4 -2,-1.0 30,-0.2 -0.343 50.9 43.0 -95.3 174.7 44.8 65.5 38.8 116 118 A K > + 0 0 43 -2,-0.1 3,-1.9 -31,-0.1 4,-0.5 0.821 58.5 155.0 64.4 32.8 45.5 64.7 42.5 117 119 A M G > + 0 0 25 27,-2.4 3,-1.3 -3,-0.3 28,-0.2 0.831 63.3 69.9 -59.7 -31.4 42.7 67.1 43.7 118 120 A D G 3 S+ 0 0 75 1,-0.3 -1,-0.3 26,-0.2 27,-0.1 0.684 97.9 52.3 -60.7 -16.8 42.4 65.0 46.9 119 121 A L G < S+ 0 0 77 -3,-1.9 2,-0.3 2,-0.0 -1,-0.3 0.641 86.0 107.8 -93.9 -17.4 45.8 66.3 47.9 120 122 A Y < - 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v 0 484F 2 40,-0.2 -85,-2.9 -2,-0.2 -84,-1.1 -0.903 43.5-172.5 -98.7 114.7 98.9 54.1 8.9 444 466 B S E -tv 359 485F 0 40,-3.6 42,-2.2 -2,-0.7 2,-0.4 -0.698 20.4-151.2-112.2 163.1 96.8 53.7 12.1 445 467 B T E -t 360 0F 3 -86,-2.3 -84,-2.7 -2,-0.2 2,-0.2 -0.999 16.3-136.9-131.9 132.2 94.9 55.9 14.5 446 468 B M E +t 361 0F 0 -2,-0.4 44,-3.1 40,-0.3 2,-0.3 -0.556 26.5 178.2 -84.1 152.0 94.3 55.2 18.2 447 469 B A E +t 362 0F 0 -86,-1.9 -84,-1.5 42,-0.2 2,-0.2 -0.917 18.4 99.9-161.7 131.4 90.9 55.8 19.7 448 470 B G - 0 0 11 -2,-0.3 4,-0.2 -86,-0.2 3,-0.1 -0.818 65.8 -50.7 163.6 158.3 89.2 55.3 23.1 449 471 B L S > S- 0 0 48 -2,-0.2 3,-2.0 -86,-0.2 5,-0.3 0.046 74.1 -77.8 -45.7 148.5 88.1 57.1 26.3 450 472 B S T 3 S+ 0 0 118 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 -0.228 117.9 11.5 -50.2 131.9 90.5 59.2 28.2 451 473 B G T 3 S+ 0 0 51 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.575 80.1 127.9 76.5 12.7 92.9 57.0 30.2 452 474 B V S < S- 0 0 0 -3,-2.0 -2,-0.1 -4,-0.2 -57,-0.1 0.732 92.1 -91.3 -71.9 -17.5 92.0 53.7 28.6 453 475 B G S > S+ 0 0 8 -4,-0.3 4,-2.8 -5,-0.1 5,-0.3 0.538 80.9 140.3 119.6 14.5 95.8 53.3 28.0 454 476 B K H > S+ 0 0 21 -5,-0.3 4,-1.6 1,-0.2 5,-0.1 0.898 78.2 38.9 -55.9 -48.1 96.3 54.8 24.5 455 477 B S H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 115.4 52.8 -72.5 -38.7 99.5 56.5 25.3 456 478 B S H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.969 108.2 49.6 -59.5 -55.4 100.9 53.7 27.4 457 479 B L H >< S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.3 4,-0.3 0.939 108.2 54.9 -46.4 -54.5 100.3 51.1 24.7 458 480 B L H >X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.3 3,-1.4 0.906 110.5 44.8 -48.4 -45.7 102.0 53.3 22.2 459 481 B N H 3< S+ 0 0 61 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.802 107.9 58.6 -70.5 -26.3 105.1 53.5 24.5 460 482 B A T << S+ 0 0 29 -4,-2.1 -1,-0.3 -3,-0.6 -2,-0.2 0.329 111.4 43.2 -82.6 6.9 104.8 49.7 25.1 461 483 B I T <4 S+ 0 0 3 -3,-1.4 -2,-0.2 -4,-0.3 -1,-0.2 0.704 135.7 8.2-113.9 -50.4 105.2 49.3 21.3 462 484 B N S >< S- 0 0 11 -4,-2.4 3,-2.7 -5,-0.2 -2,-0.1 -0.832 86.8-130.0-133.7 91.2 107.9 51.8 20.5 463 485 B P T 3 S+ 0 0 111 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.166 95.8 33.8 -44.6 123.7 109.4 53.1 23.8 464 486 B G T 3 S+ 0 0 47 1,-0.4 2,-0.2 0, 0.0 -5,-0.1 0.033 86.5 119.5 116.7 -27.0 109.4 56.9 23.4 465 487 B L < + 0 0 27 -3,-2.7 -1,-0.4 -7,-0.3 2,-0.3 -0.532 37.2 170.7 -74.8 136.1 106.3 57.3 21.3 466 488 B K - 0 0 107 -2,-0.2 -11,-0.1 -8,-0.1 -10,-0.1 -0.985 29.3-126.4-153.2 138.6 103.5 59.3 22.9 467 489 B L 0 0 25 -2,-0.3 21,-0.2 1,-0.1 20,-0.1 -0.136 360.0 360.0 -69.9 172.9 100.2 60.9 22.0 468 490 B R 0 0 150 19,-1.0 20,-0.1 21,-0.0 -1,-0.1 0.473 360.0 360.0 -92.2 360.0 99.4 64.6 22.5 469 ! 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 0.0 470 504 B T 0 0 74 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-130.6 100.5 76.7 17.1 471 505 B T + 0 0 78 1,-0.1 -180,-0.0 -179,-0.1 0, 0.0 -0.531 360.0 125.2-129.6 64.5 100.9 72.9 16.7 472 506 B T + 0 0 77 332,-0.2 -1,-0.1 -2,-0.1 333,-0.1 0.774 46.9 93.2 -92.2 -31.5 97.3 71.6 16.6 473 507 B T S S- 0 0 13 331,-0.2 -183,-0.1 -3,-0.1 -119,-0.1 -0.339 82.0-113.1 -62.1 144.8 97.5 69.7 13.3 474 508 B A - 0 0 1 -121,-0.3 -184,-0.5 -151,-0.1 2,-0.3 0.207 26.3-151.2 -65.1-168.1 98.5 66.0 13.8 475 509 B Q B -N 289 0D 65 -186,-0.1 12,-3.5 -152,-0.1 2,-0.6 -0.941 19.2-109.9-158.2 164.7 101.7 64.3 12.8 476 510 B L E -W 486 0F 6 -188,-2.4 2,-0.6 -2,-0.3 10,-0.2 -0.933 24.4-154.1-111.7 121.8 102.6 60.8 11.8 477 511 B L E -W 485 0F 33 8,-2.8 8,-1.5 -2,-0.6 2,-0.3 -0.824 15.6-135.5 -95.9 124.1 104.8 58.8 14.1 478 512 B K E -W 484 0F 80 -2,-0.6 6,-0.2 6,-0.2 2,-0.2 -0.612 10.9-142.9 -83.9 135.7 106.9 56.1 12.5 479 513 B F > - 0 0 3 4,-2.4 3,-1.2 -2,-0.3 4,-0.3 -0.526 20.0-121.9 -89.0 158.7 107.2 52.6 14.0 480 514 B D T 3 S+ 0 0 126 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.983 114.3 51.9 -60.7 -57.2 110.4 50.5 14.0 481 515 B F T 3 S- 0 0 45 1,-0.1 -40,-0.3 -3,-0.0 -1,-0.3 0.219 126.5 -96.3 -66.1 15.1 108.7 47.7 12.1 482 516 B G S < S+ 0 0 27 -3,-1.2 -41,-2.7 1,-0.2 -40,-0.3 0.604 81.9 82.1 74.8 130.7 107.4 50.1 9.5 483 517 B G - 0 0 7 -42,-0.3 -4,-2.4 -4,-0.3 2,-0.3 -0.602 61.8-106.2 126.4 170.2 104.0 51.8 9.5 484 518 B Y E -vW 443 478F 18 -42,-2.3 -40,-3.6 -45,-0.3 2,-0.3 -0.895 14.6-163.3-135.9 166.4 102.6 54.8 11.2 485 519 B V E -vW 444 477F 0 -8,-1.5 -8,-2.8 -2,-0.3 -40,-0.2 -0.984 38.8 -99.4-143.2 140.3 100.2 55.9 13.9 486 520 B V E - W 0 476F 1 -42,-2.2 -40,-0.3 -2,-0.3 -10,-0.2 -0.410 22.5-123.4 -73.6 140.2 98.8 59.4 14.3 487 521 B D S S+ 0 0 7 -12,-3.5 -19,-1.0 -2,-0.2 -1,-0.1 0.698 95.0 30.9 -46.2 -30.4 100.2 62.0 16.6 488 522 B T S S- 0 0 19 -13,-0.3 -42,-0.2 -21,-0.2 -2,-0.1 -0.940 95.2 -84.8-135.5 158.7 96.8 62.3 18.4 489 523 B P - 0 0 33 0, 0.0 -42,-0.2 0, 0.0 3,-0.2 -0.020 40.0-123.3 -56.9 160.5 93.7 60.2 19.1 490 524 B G S S+ 0 0 6 -44,-3.1 2,-5.1 1,-0.2 3,-0.3 0.515 81.5 6.4 -78.2-135.5 90.9 59.6 16.7 491 525 B F S > S+ 0 0 6 1,-0.2 3,-1.8 -112,-0.1 -1,-0.2 0.001 73.1 150.2 -47.1 47.7 87.2 60.3 17.2 492 526 B A T 3 S+ 0 0 77 -2,-5.1 -1,-0.2 1,-0.3 -42,-0.1 0.913 71.6 51.9 -48.4 -53.8 87.8 62.0 20.6 493 527 B N T 3 S- 0 0 53 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.638 95.7-147.7 -59.3 -17.8 84.7 64.3 20.2 494 528 B L < + 0 0 32 -3,-1.8 2,-0.7 1,-0.2 -2,-0.1 0.892 28.2 177.4 44.0 51.3 82.6 61.2 19.4 495 529 B E + 0 0 87 1,-0.1 2,-0.5 2,-0.0 3,-0.2 -0.773 18.8 175.1 -90.5 114.4 80.4 63.2 17.1 496 530 B I + 0 0 12 -2,-0.7 -1,-0.1 1,-0.1 -2,-0.0 -0.715 46.8 106.8-115.5 73.3 77.8 61.1 15.3 497 531 B N + 0 0 102 -2,-0.5 -1,-0.1 3,-0.0 342,-0.1 0.630 64.1 61.3-123.0 -29.8 76.0 64.0 13.5 498 532 B D S S+ 0 0 91 -3,-0.2 2,-0.2 2,-0.1 -2,-0.1 0.835 86.6 96.7 -68.9 -27.9 76.9 63.6 9.9 499 533 B I S S- 0 0 1 1,-0.1 -3,-0.0 4,-0.0 5,-0.0 -0.420 72.1-141.9 -67.4 128.4 75.3 60.3 10.0 500 534 B E >> - 0 0 72 -2,-0.2 4,-1.4 1,-0.1 3,-1.1 -0.671 22.4-114.6 -87.6 144.0 71.7 60.3 8.8 501 535 B P H >> S+ 0 0 7 0, 0.0 3,-0.8 0, 0.0 4,-0.6 0.890 117.0 45.3 -43.0 -55.6 69.2 58.0 10.7 502 536 B E H 34 S+ 0 0 94 1,-0.2 3,-0.3 2,-0.2 4,-0.2 0.781 111.7 56.2 -63.2 -24.5 68.5 55.7 7.7 503 537 B E H X4 S+ 0 0 43 -3,-1.1 3,-1.5 1,-0.2 -1,-0.2 0.744 88.9 74.5 -78.7 -25.7 72.3 55.6 7.1 504 538 B L H X< S+ 0 0 0 -4,-1.4 3,-2.1 -3,-0.8 -1,-0.2 0.826 83.3 66.3 -58.0 -36.9 73.2 54.4 10.6 505 539 B K G >< S+ 0 0 11 -4,-0.6 3,-1.1 -3,-0.3 -1,-0.3 0.752 90.8 67.6 -58.3 -24.0 72.0 50.9 10.0 506 540 B H G < S+ 0 0 120 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.629 90.7 61.3 -73.7 -12.9 74.8 50.6 7.4 507 541 B Y G < S+ 0 0 32 -3,-2.1 2,-0.6 -4,-0.2 -1,-0.2 0.268 83.3 82.2-100.0 13.2 77.5 50.7 10.1 508 542 B F X - 0 0 0 -3,-1.1 3,-3.2 3,-0.2 -1,-0.1 -0.829 67.0-159.3-116.8 89.0 76.5 47.6 12.0 509 543 B K T 3 S+ 0 0 103 -2,-0.6 4,-0.4 1,-0.3 -1,-0.2 0.795 87.9 62.2 -31.0 -56.7 78.1 44.7 10.0 510 544 B E T 3 S+ 0 0 17 2,-0.1 2,-0.9 -3,-0.1 4,-0.4 0.791 91.2 77.1 -47.7 -30.8 75.7 42.1 11.4 511 545 B F S < S+ 0 0 17 -3,-3.2 -3,-0.2 -6,-0.2 -1,-0.1 -0.760 83.4 57.9 -84.1 107.6 72.9 44.1 9.7 512 546 B G S S+ 0 0 56 -2,-0.9 -1,-0.2 3,-0.0 -2,-0.1 -0.176 90.5 54.8 172.9 -68.2 73.3 43.1 6.1 513 547 B D S S+ 0 0 108 -4,-0.4 2,-0.2 -3,-0.2 -2,-0.1 0.651 92.3 105.2 -64.4 -12.1 73.0 39.4 5.3 514 548 B K - 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0 0 24 -2,-0.4 4,-2.1 -127,-0.2 5,-0.2 -0.349 16.6-138.1 -63.0 138.9 97.8 86.7 20.8 822 876 C E H > S+ 0 0 150 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.962 105.4 52.6 -61.7 -49.8 97.7 82.9 21.5 823 877 C S H > S+ 0 0 21 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.798 108.1 53.1 -56.4 -31.0 94.3 83.2 23.1 824 878 C R H > S+ 0 0 1 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.995 112.5 41.4 -67.0 -62.5 93.0 85.0 20.0 825 879 C Y H X S+ 0 0 3 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.942 117.3 49.2 -46.6 -59.8 94.1 82.4 17.6 826 880 C E H X S+ 0 0 129 -4,-3.1 4,-3.2 1,-0.2 -1,-0.2 0.932 111.4 47.3 -47.3 -59.4 93.0 79.6 19.9 827 881 C N H X S+ 0 0 10 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.859 110.8 53.2 -55.0 -36.8 89.5 81.1 20.5 828 882 C Y H X S+ 0 0 0 -4,-2.7 4,-3.1 -3,-0.2 -1,-0.2 0.963 111.6 44.9 -62.1 -50.8 89.1 81.7 16.8 829 883 C V H X S+ 0 0 15 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.906 111.4 54.3 -57.9 -44.0 89.9 78.0 16.1 830 884 C K H X S+ 0 0 114 -4,-3.2 4,-1.3 -5,-0.2 -1,-0.2 0.950 113.5 41.1 -55.1 -52.5 87.7 76.9 18.9 831 885 C M H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.871 108.2 62.6 -65.0 -37.7 84.8 78.9 17.4 832 886 C F H X S+ 0 0 12 -4,-3.1 4,-1.2 1,-0.2 3,-0.3 0.941 105.6 45.2 -52.1 -52.1 85.7 77.8 13.9 833 887 C Y H X S+ 0 0 51 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.812 106.8 59.3 -62.4 -32.2 85.1 74.2 14.8 834 888 C E H >< S+ 0 0 77 -4,-1.3 3,-1.1 1,-0.2 -1,-0.2 0.898 104.1 52.9 -63.7 -38.3 81.8 75.1 16.5 835 889 C L H 3< S+ 0 0 5 -4,-2.1 -1,-0.2 -3,-0.3 -2,-0.2 0.844 96.0 66.4 -66.1 -33.9 80.7 76.5 13.2 836 890 C L H 3< S+ 0 0 81 -4,-1.2 2,-2.6 1,-0.2 -1,-0.2 0.671 73.2 97.4 -62.7 -16.5 81.5 73.2 11.4 837 891 C G << + 0 0 69 -3,-1.1 2,-0.2 -4,-0.5 -1,-0.2 -0.464 66.0 91.1 -74.2 75.3 78.7 71.6 13.4 838 892 C R 0 0 77 -2,-2.6 -340,-0.0 -559,-0.0 -341,-0.0 -0.703 360.0 360.0-173.2 116.0 76.2 72.0 10.5 839 893 C R 0 0 275 -2,-0.2 -2,-0.1 -342,-0.1 -341,-0.0 0.710 360.0 360.0 36.6 360.0 75.3 69.7 7.6