==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-AUG-09 2WPX . COMPND 2 MOLECULE: ORF14; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CLAVULIGERUS; . AUTHOR A.IQBAL,H.ARUNLANANTHAM,M.A.MCDONOUGH,R.CHOWDHURY, . 652 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32162.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 445 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 153 23.5 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 . 0 0.0 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 . 55 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 0 0 0 3 7 0 0 0 0 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 0 4 0 2 3 4 2 2 2 2 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 0 0 0 0 0 0 0 0 0 0 1 1 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 5 A A 0 0 47 0, 0.0 2,-0.3 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 -11.2 -90.4 91.1 33.8 2 6 A G + 0 0 61 60,-0.0 2,-0.6 61,-0.0 0, 0.0 -0.961 360.0 11.7 128.4-142.9 -93.2 88.6 33.0 3 7 A E S S- 0 0 181 -2,-0.3 2,-0.5 1,-0.0 60,-0.5 -0.477 72.9-161.8 -71.6 116.3 -93.3 85.4 35.0 4 8 A L - 0 0 40 -2,-0.6 2,-0.5 58,-0.1 58,-0.2 -0.851 3.0-153.9-100.3 130.9 -90.9 85.6 37.9 5 9 A E E -A 61 0A 91 56,-2.5 56,-3.2 -2,-0.5 2,-0.6 -0.896 2.5-154.5-101.7 123.6 -89.8 82.4 39.6 6 10 A F E +A 60 0A 64 -2,-0.5 54,-0.2 54,-0.2 -2,-0.0 -0.895 21.2 170.9 -94.9 119.2 -88.7 82.5 43.3 7 11 A V E -A 59 0A 19 52,-1.9 52,-2.5 -2,-0.6 -2,-0.0 -0.981 37.2-106.3-128.0 135.5 -86.2 79.7 44.1 8 12 A P E -A 58 0A 75 0, 0.0 2,-0.7 0, 0.0 50,-0.3 -0.340 28.0-126.1 -59.1 147.6 -84.3 79.4 47.4 9 13 A L + 0 0 10 48,-2.6 2,-0.4 7,-0.0 48,-0.3 -0.865 37.1 174.5 -95.9 107.4 -80.6 80.2 47.3 10 14 A A > - 0 0 40 -2,-0.7 3,-1.5 3,-0.1 7,-0.2 -0.914 35.5-130.8-119.8 142.0 -78.8 77.2 48.7 11 15 A A T 3 S+ 0 0 27 -2,-0.4 -1,-0.1 1,-0.3 36,-0.1 0.669 103.8 60.3 -73.4 -18.5 -75.0 76.9 48.8 12 16 A N T 3 S+ 0 0 129 1,-0.1 2,-1.4 5,-0.0 -1,-0.3 0.545 82.8 88.7 -80.6 -9.4 -75.0 73.3 47.4 13 17 A D <> - 0 0 56 -3,-1.5 4,-3.0 1,-0.2 5,-0.2 -0.663 58.2-179.9 -90.7 83.9 -76.7 74.5 44.2 14 18 A D H > S+ 0 0 129 -2,-1.4 4,-2.9 1,-0.2 -1,-0.2 0.867 76.0 52.3 -57.5 -40.9 -73.6 75.5 42.2 15 19 A E H > S+ 0 0 135 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.949 115.1 40.4 -60.6 -53.2 -75.4 76.7 39.1 16 20 A T H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.884 116.0 50.8 -63.3 -42.8 -77.7 79.1 41.1 17 21 A V H X S+ 0 0 8 -4,-3.0 4,-2.7 -7,-0.2 -2,-0.2 0.935 108.2 53.2 -59.7 -46.2 -74.8 80.2 43.4 18 22 A G H X S+ 0 0 25 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.902 110.1 47.4 -51.9 -49.3 -72.6 80.9 40.4 19 23 A Q H X S+ 0 0 50 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.857 111.4 50.4 -58.0 -42.7 -75.4 83.1 38.9 20 24 A W H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.925 109.3 51.0 -62.8 -43.9 -75.9 84.9 42.1 21 25 A L H X S+ 0 0 20 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.952 113.8 46.7 -58.0 -48.6 -72.1 85.6 42.4 22 26 A D H X S+ 0 0 106 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.857 106.7 55.3 -60.7 -44.8 -72.2 86.9 38.8 23 27 A L H X S+ 0 0 7 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.920 112.2 45.6 -53.1 -43.1 -75.3 89.1 39.5 24 28 A M H X S+ 0 0 12 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.955 110.4 50.8 -69.0 -50.9 -73.3 90.7 42.3 25 29 A A H X S+ 0 0 47 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.889 115.3 45.3 -51.4 -43.1 -70.0 91.2 40.4 26 30 A L H >X S+ 0 0 62 -4,-2.4 3,-1.0 1,-0.2 4,-0.5 0.923 112.2 48.4 -70.8 -43.7 -72.0 92.8 37.6 27 31 A A H >< S+ 0 0 10 -4,-2.5 3,-1.0 1,-0.2 4,-0.5 0.831 103.8 63.1 -66.5 -31.3 -74.2 95.1 39.8 28 32 A A H 3< S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.2 3,-0.2 0.714 87.8 71.0 -67.4 -17.8 -71.1 96.2 41.7 29 33 A E H << S+ 0 0 148 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.865 116.3 22.4 -64.1 -31.2 -69.7 97.8 38.5 30 34 A T S << S+ 0 0 99 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.273 109.1 89.6-118.9 12.5 -72.3 100.5 38.8 31 35 A G S S- 0 0 39 -4,-0.5 3,-0.1 1,-0.2 -3,-0.1 0.080 88.4 -43.0 -88.5-155.8 -73.2 100.4 42.5 32 36 A P S S- 0 0 62 0, 0.0 -1,-0.2 0, 0.0 99,-0.0 -0.304 78.3 -78.2 -65.0 150.6 -71.8 102.4 45.5 33 37 A R S S+ 0 0 83 -3,-0.1 2,-0.3 281,-0.0 281,-0.0 -0.315 80.0 146.9 -44.1 125.9 -68.1 102.7 45.9 34 38 A A - 0 0 53 -6,-0.1 -3,-0.0 -3,-0.1 -1,-0.0 -0.987 57.9 -96.3-164.3 153.8 -67.2 99.3 47.2 35 39 A A - 0 0 27 -2,-0.3 3,-0.1 1,-0.1 214,-0.0 -0.619 60.4-100.5 -66.5 135.9 -64.7 96.5 47.4 36 40 A P - 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 -0.215 49.3 -88.5 -48.7 148.2 -65.8 93.9 44.8 37 41 A P - 0 0 40 0, 0.0 2,-0.6 0, 0.0 212,-0.1 -0.453 37.4-137.4 -64.0 134.1 -67.6 91.0 46.2 38 42 A C > - 0 0 9 1,-0.1 4,-3.4 210,-0.1 5,-0.2 -0.918 5.1-149.2 -93.1 120.2 -65.3 88.2 47.3 39 43 A N H > S+ 0 0 79 -2,-0.6 4,-2.6 2,-0.2 5,-0.3 0.827 98.1 53.3 -59.1 -37.9 -66.8 84.8 46.3 40 44 A V H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.972 112.9 44.6 -57.3 -55.3 -65.2 83.1 49.3 41 45 A D H > S+ 0 0 11 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.944 116.9 46.1 -51.3 -52.3 -66.8 85.6 51.6 42 46 A M H < S+ 0 0 30 -4,-3.4 4,-0.4 2,-0.2 -2,-0.2 0.926 113.5 45.2 -63.9 -47.4 -70.2 85.5 49.8 43 47 A V H >X S+ 0 0 38 -4,-2.6 3,-1.3 1,-0.3 4,-0.6 0.884 113.8 50.2 -67.4 -37.1 -70.5 81.7 49.5 44 48 A G H >X S+ 0 0 2 -4,-2.4 4,-2.3 -5,-0.3 3,-0.9 0.816 99.1 68.0 -69.0 -26.4 -69.5 81.3 53.1 45 49 A S H 3< S+ 0 0 7 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.657 99.1 51.4 -66.7 -11.1 -72.1 84.0 53.9 46 50 A L H <4 S+ 0 0 22 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.713 117.0 37.6 -90.1 -22.9 -74.7 81.4 52.9 47 51 A R H << S+ 0 0 90 -3,-0.9 468,-2.2 -4,-0.6 2,-0.5 0.738 116.7 46.7 -99.4 -28.7 -73.3 78.6 55.1 48 52 A F < - 0 0 4 -4,-2.3 -1,-0.2 466,-0.2 172,-0.0 -0.921 68.4-173.6-129.8 101.2 -72.2 80.5 58.2 49 53 A A - 0 0 2 -2,-0.5 3,-0.1 1,-0.2 167,-0.1 -0.501 32.7 -92.0 -96.1 163.9 -74.6 83.0 59.7 50 54 A P > - 0 0 29 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 -0.265 66.9 -61.8 -69.1 162.6 -73.9 85.4 62.5 51 55 A P T 3 S- 0 0 25 0, 0.0 25,-0.2 0, 0.0 3,-0.1 -0.077 114.8 -3.2 -51.2 139.8 -74.8 84.4 66.0 52 56 A A T 3 S+ 0 0 60 1,-0.2 24,-2.4 -3,-0.1 2,-0.4 0.862 105.2 120.9 45.7 44.1 -78.3 83.5 66.9 53 57 A T E < - B 0 75A 23 -3,-1.1 2,-0.3 22,-0.2 -1,-0.2 -0.993 50.3-151.6-139.9 140.5 -79.5 84.4 63.6 54 58 A A E - B 0 74A 43 20,-2.5 20,-3.1 -2,-0.4 2,-0.3 -0.722 13.8-144.4 -96.2 153.4 -81.3 82.5 60.8 55 59 A L E - B 0 73A 51 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.914 12.8-171.5-114.5 147.5 -81.0 83.3 57.1 56 60 A D E - B 0 72A 21 16,-1.9 16,-1.8 -2,-0.3 2,-0.4 -0.857 21.3-175.7-135.9 93.4 -83.7 83.0 54.5 57 61 A D E + B 0 71A 15 -2,-0.4 -48,-2.6 -48,-0.3 2,-0.3 -0.796 4.9 172.7-104.6 132.6 -82.0 83.5 51.1 58 62 A W E -AB 8 70A 40 12,-2.8 12,-2.5 -2,-0.4 2,-0.3 -0.957 18.8-159.3-134.1 152.9 -83.7 83.7 47.7 59 63 A V E -AB 7 69A 0 -52,-2.5 -52,-1.9 -2,-0.3 2,-0.4 -0.888 16.3-138.7-116.0 164.1 -83.1 84.4 44.1 60 64 A V E -AB 6 68A 0 8,-2.8 7,-3.4 -2,-0.3 8,-1.1 -0.977 17.6-157.5-121.6 134.6 -85.6 85.4 41.4 61 65 A R E -AB 5 66A 57 -56,-3.2 -56,-2.5 -2,-0.4 2,-0.4 -0.848 11.7-170.8-114.1 145.6 -85.4 84.0 37.9 62 66 A S E > S- B 0 65A 23 3,-3.2 3,-1.4 -2,-0.4 -58,-0.1 -0.968 83.0 -9.1-133.8 121.3 -86.7 85.2 34.6 63 67 A G T 3 S- 0 0 83 -60,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.897 133.3 -53.3 57.4 40.9 -86.6 82.9 31.6 64 68 A G T 3 S+ 0 0 53 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.440 118.2 104.1 77.0 -1.5 -84.5 80.5 33.7 65 69 A R E < S-B 62 0A 107 -3,-1.4 -3,-3.2 -46,-0.0 2,-0.2 -0.902 76.7-107.1-117.1 149.3 -81.9 83.1 34.7 66 70 A V E +B 61 0A 8 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.481 39.1 165.9 -65.6 127.5 -81.3 84.9 38.0 67 71 A V E + 0 0 0 -7,-3.4 22,-2.7 1,-0.3 2,-0.3 0.318 63.7 1.9-125.8 5.9 -82.3 88.5 37.6 68 72 A G E -BC 60 88A 0 -8,-1.1 -8,-2.8 20,-0.2 2,-0.3 -0.979 57.3-143.2-177.0 174.0 -82.4 89.4 41.3 69 73 A A E -BC 59 87A 0 18,-1.9 18,-2.1 -10,-0.3 2,-0.4 -0.996 2.5-163.2-151.4 142.1 -81.8 88.2 44.9 70 74 A L E -BC 58 86A 0 -12,-2.5 -12,-2.8 -2,-0.3 2,-0.4 -0.993 9.8-175.5-128.5 129.4 -83.4 88.8 48.3 71 75 A R E -BC 57 85A 20 14,-3.2 13,-2.1 -2,-0.4 14,-1.5 -0.982 2.3-170.3-128.0 125.8 -81.7 87.9 51.5 72 76 A L E -BC 56 83A 1 -16,-1.8 -16,-1.9 -2,-0.4 2,-0.5 -0.896 9.4-155.9-107.8 145.3 -83.3 88.2 55.0 73 77 A A E -BC 55 82A 0 9,-2.7 9,-2.4 -2,-0.4 -18,-0.2 -0.975 9.6-161.1-115.8 130.6 -81.5 87.9 58.3 74 78 A L E -B 54 0A 0 -20,-3.1 -20,-2.5 -2,-0.5 2,-0.3 -0.905 9.9-145.5-115.1 103.9 -83.8 86.9 61.2 75 79 A P E > -B 53 0A 35 0, 0.0 3,-1.9 0, 0.0 -22,-0.2 -0.508 34.9-106.5 -64.1 124.5 -82.4 87.6 64.6 76 80 A D T 3 S+ 0 0 94 -24,-2.4 -23,-0.0 -2,-0.3 0, 0.0 -0.224 98.6 6.9 -50.2 137.8 -83.7 84.8 66.9 77 81 A G T 3 S+ 0 0 90 1,-0.2 -1,-0.2 -3,-0.1 -25,-0.0 0.495 103.7 118.1 73.9 5.0 -86.5 85.9 69.3 78 82 A A < - 0 0 31 -3,-1.9 -1,-0.2 2,-0.2 0, 0.0 -0.769 67.8-133.8-111.9 153.6 -86.9 89.3 67.7 79 83 A P S S+ 0 0 82 0, 0.0 37,-1.7 0, 0.0 36,-1.5 0.339 78.7 93.1 -82.1 7.6 -89.9 90.9 66.0 80 84 A T E - d 0 116A 40 34,-0.2 2,-0.4 -5,-0.2 37,-0.2 -0.722 53.7-162.8-108.8 149.5 -87.6 92.2 63.2 81 85 A A E - d 0 117A 0 35,-2.7 37,-2.3 -2,-0.3 2,-0.4 -0.984 18.3-151.6-127.4 125.2 -86.6 91.0 59.8 82 86 A R E -Cd 73 118A 78 -9,-2.4 -9,-2.7 -2,-0.4 2,-1.1 -0.792 11.3-134.6-101.3 130.8 -83.5 92.6 58.3 83 87 A V E +C 72 0A 21 35,-3.3 37,-0.5 -2,-0.4 -11,-0.2 -0.675 27.7 172.0 -82.6 101.5 -83.0 93.0 54.5 84 88 A D E S+ 0 0 82 -13,-2.1 2,-0.3 -2,-1.1 -1,-0.2 0.720 71.2 11.0 -85.6 -17.3 -79.4 92.0 54.0 85 89 A Q E +C 71 0A 29 -14,-1.5 -14,-3.2 -3,-0.1 -1,-0.3 -0.893 51.2 164.0-159.6 128.0 -79.7 92.1 50.3 86 90 A L E +C 70 0A 49 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.822 27.8 163.3-139.4 104.3 -82.3 93.2 47.8 87 91 A L E -C 69 0A 28 -18,-2.1 -18,-1.9 -2,-0.3 2,-0.4 -0.948 23.0-164.6-134.1 133.8 -80.7 93.4 44.3 88 92 A V E -C 68 0A 14 -2,-0.4 -20,-0.2 -20,-0.2 5,-0.1 -0.959 40.6 -97.8-121.3 132.9 -82.0 93.6 40.7 89 93 A H > - 0 0 40 -22,-2.7 3,-3.3 -2,-0.4 -65,-0.1 -0.336 32.7-126.6 -50.0 126.2 -79.8 92.9 37.7 90 94 A P T 3 S+ 0 0 40 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.644 110.0 54.9 -52.7 -22.6 -78.7 96.4 36.3 91 95 A G T 3 S+ 0 0 43 1,-0.2 -2,-0.1 -24,-0.0 -24,-0.0 0.556 109.1 45.8 -89.1 -11.0 -80.0 95.4 32.9 92 96 A R S < S+ 0 0 64 -3,-3.3 3,-0.4 -25,-0.1 5,-0.4 -0.041 81.5 133.9-124.7 29.2 -83.6 94.6 34.2 93 97 A R + 0 0 95 -3,-0.4 -4,-0.0 1,-0.2 0, 0.0 -0.397 59.3 29.0 -82.8 154.6 -84.3 97.6 36.5 94 98 A R S S+ 0 0 244 -2,-0.1 -1,-0.2 1,-0.1 0, 0.0 0.875 89.3 104.1 64.8 42.3 -87.6 99.6 36.5 95 99 A R S S- 0 0 121 -3,-0.4 -2,-0.1 0, 0.0 -1,-0.1 0.280 101.2 -96.1-135.8 -0.6 -89.6 96.6 35.4 96 100 A G S > S+ 0 0 27 -95,-0.1 4,-2.4 -4,-0.0 5,-0.1 0.446 91.0 118.9 97.5 1.0 -91.2 95.8 38.8 97 101 A I H > S+ 0 0 2 -5,-0.4 4,-2.4 2,-0.2 5,-0.2 0.926 77.6 48.0 -68.2 -47.0 -88.7 93.1 39.9 98 102 A G H > S+ 0 0 12 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.937 111.3 52.2 -56.9 -45.2 -87.6 95.0 43.0 99 103 A R H > S+ 0 0 151 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.934 109.3 48.1 -56.2 -49.7 -91.2 95.6 43.8 100 104 A A H X S+ 0 0 26 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.876 110.5 53.6 -58.5 -35.2 -91.9 91.9 43.5 101 105 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.921 108.9 48.2 -67.9 -40.2 -88.8 91.2 45.8 102 106 A W H X S+ 0 0 19 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.872 109.9 51.5 -66.9 -40.0 -90.1 93.5 48.4 103 107 A A H X S+ 0 0 49 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.878 111.2 47.8 -65.1 -38.3 -93.5 91.9 48.3 104 108 A H H X S+ 0 0 17 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.932 108.9 56.4 -66.4 -45.1 -91.8 88.5 48.7 105 109 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.941 107.0 47.4 -47.4 -55.5 -89.8 90.1 51.6 106 110 A R H X S+ 0 0 58 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.869 111.9 51.2 -57.1 -38.3 -92.9 91.1 53.5 107 111 A E H X S+ 0 0 109 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.899 111.0 47.1 -62.5 -43.9 -94.4 87.6 53.0 108 112 A L H X S+ 0 0 6 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.932 111.8 51.4 -67.1 -40.7 -91.1 86.0 54.3 109 113 A A H <>S+ 0 0 0 -4,-2.8 5,-3.3 1,-0.2 -1,-0.2 0.902 111.1 48.3 -59.8 -41.8 -91.1 88.3 57.3 110 114 A R H ><5S+ 0 0 63 -4,-1.9 3,-1.6 -5,-0.2 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4,-3.3 210,-0.1 5,-0.2 -0.901 3.7-150.5 -93.0 121.6 -45.9 71.6 66.3 367 43 B N H > S+ 0 0 80 -2,-0.6 4,-2.5 2,-0.2 5,-0.4 0.810 97.6 54.6 -59.7 -34.2 -44.9 75.1 67.8 368 44 B V H > S+ 0 0 73 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.950 112.9 43.7 -63.7 -46.2 -47.9 76.8 66.2 369 45 B D H > S+ 0 0 13 2,-0.2 4,-1.4 3,-0.2 -2,-0.2 0.949 117.4 44.8 -63.9 -52.2 -50.1 74.2 67.9 370 46 B M H >X S+ 0 0 29 -4,-3.3 4,-0.7 2,-0.2 3,-0.6 0.951 114.2 46.2 -62.8 -50.9 -48.2 74.4 71.3 371 47 B V H >X S+ 0 0 44 -4,-2.5 3,-1.5 1,-0.3 4,-0.7 0.933 113.3 51.0 -61.4 -40.3 -47.9 78.2 71.6 372 48 B G H >X S+ 0 0 5 -4,-2.0 4,-2.1 -5,-0.4 3,-0.9 0.820 99.6 66.2 -63.4 -27.4 -51.5 78.5 70.6 373 49 B S H << S+ 0 0 8 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.679 99.1 51.3 -72.1 -12.9 -52.3 76.0 73.3 374 50 B L H << S+ 0 0 20 -3,-1.5 -1,-0.3 -4,-0.7 -35,-0.2 0.656 116.4 40.5 -85.5 -21.0 -51.2 78.5 75.9 375 51 B R H << S+ 0 0 55 -3,-0.9 -188,-1.9 -4,-0.7 2,-0.4 0.741 116.5 41.7-100.5 -29.5 -53.5 81.2 74.5 376 52 B F < - 0 0 18 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3.4-123.6 4.1 -35.9 71.4 83.1 396 72 B G E -NO 388 416B 0 -8,-1.1 -8,-2.9 20,-0.3 -1,-0.3 -0.975 57.6-147.1-176.7 167.7 -39.5 70.4 83.3 397 73 B A E -NO 387 415B 0 18,-2.0 18,-2.5 -10,-0.3 2,-0.4 -0.991 3.1-165.6-150.2 145.8 -43.0 71.6 82.8 398 74 B L E -NO 386 414B 0 -12,-2.6 -12,-2.3 -2,-0.3 2,-0.4 -0.992 8.8-174.0-134.8 129.5 -46.4 71.0 84.4 399 75 B R E -NO 385 413B 16 14,-2.9 13,-2.0 -2,-0.4 14,-1.5 -0.991 2.5-167.7-129.0 132.8 -49.7 72.0 82.8 400 76 B L E -NO 384 411B 1 -16,-1.9 -16,-1.8 -2,-0.4 2,-0.5 -0.891 8.5-159.0-114.2 142.2 -53.2 71.8 84.4 401 77 B A E -NO 383 410B 0 9,-2.4 9,-2.7 -2,-0.4 -18,-0.2 -0.989 9.3-163.6-117.7 129.9 -56.6 72.1 82.8 402 78 B L E -N 382 0B 1 -20,-2.8 -20,-2.3 -2,-0.5 2,-0.3 -0.932 12.5-142.6-115.6 107.6 -59.4 72.9 85.2 403 79 B P E > -N 381 0B 36 0, 0.0 3,-1.8 0, 0.0 -22,-0.3 -0.529 35.6-101.6 -66.6 128.4 -62.9 72.3 83.8 404 80 B D T 3 S+ 0 0 97 -24,-2.8 -23,-0.0 -2,-0.3 0, 0.0 -0.215 99.3 2.9 -48.3 135.5 -65.2 75.1 85.1 405 81 B G T 3 S+ 0 0 87 1,-0.2 -1,-0.2 -3,-0.1 -25,-0.0 0.504 103.7 114.6 71.8 7.2 -67.4 74.1 88.0 406 82 B A < - 0 0 32 -3,-1.8 -1,-0.2 2,-0.2 0, 0.0 -0.799 69.0-129.0-114.0 156.6 -65.9 70.5 88.4 407 83 B P S S+ 0 0 80 0, 0.0 37,-1.9 0, 0.0 36,-1.6 0.199 78.7 93.0 -82.5 13.2 -64.0 69.0 91.3 408 84 B T E - p 0 444B 38 -5,-0.2 2,-0.4 34,-0.2 37,-0.2 -0.735 54.4-160.3-116.1 157.9 -61.2 67.7 89.0 409 85 B A E - p 0 445B 0 35,-1.8 37,-2.3 -2,-0.3 2,-0.5 -0.976 18.0-148.6-138.0 122.5 -57.9 68.9 87.8 410 86 B R E -Op 401 446B 84 -9,-2.7 -9,-2.4 -2,-0.4 2,-1.1 -0.760 9.0-137.7 -99.2 127.9 -56.5 67.3 84.7 411 87 B V E +O 400 0B 19 35,-3.1 37,-0.5 -2,-0.5 -11,-0.2 -0.696 27.7 170.2 -82.9 103.4 -52.7 66.9 84.1 412 88 B D E S+ 0 0 77 -13,-2.0 2,-0.3 -2,-1.1 -1,-0.2 0.752 70.8 12.3 -84.7 -23.5 -52.3 67.8 80.5 413 89 B Q E +O 399 0B 28 -14,-1.5 -14,-2.9 -3,-0.2 -1,-0.3 -0.970 50.8 162.2-152.9 136.7 -48.5 67.8 80.8 414 90 B L E +O 398 0B 46 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.756 27.3 163.1-150.7 101.7 -45.9 66.7 83.3 415 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