==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 30-MAY-02 1LW4 . COMPND 2 MOLECULE: L-ALLO-THREONINE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR C.L.KIELKOPF,S.K.BURLEY,NEW YORK SGX RESEARCH CENTER FOR STR . 1373 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1016 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 99 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 74 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 493 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.6 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 4 5 3 4 8 0 3 1 4 8 8 0 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 5 3 8 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 . 8 7 1 1 11 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 ANTIPARALLEL BRIDGES PER LADDER . 8 0 4 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 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 X 0 0 157 0, 0.0 2,-0.8 0, 0.0 304,-0.2 0.000 360.0 360.0 360.0 133.6 13.2 41.6 28.0 2 2 A I E -a 305 0A 12 302,-3.2 304,-3.1 299,-0.1 2,-0.9 -0.839 360.0-153.3 -94.1 108.3 13.0 44.6 30.5 3 3 A D E +a 306 0A 27 -2,-0.8 3,-0.2 319,-0.3 304,-0.1 -0.735 34.3 154.0 -92.3 103.8 16.5 46.0 30.4 4 4 A L + 0 0 0 302,-2.8 314,-2.6 -2,-0.9 304,-0.3 0.092 45.4 103.4-110.7 20.6 17.4 47.8 33.7 5 5 A R S S- 0 0 18 1,-0.2 2,-0.3 302,-0.2 303,-0.2 0.884 93.2 -34.1 -70.5 -40.4 21.2 47.3 33.3 6 6 A S > - 0 0 5 312,-0.3 3,-0.8 -3,-0.2 -1,-0.2 -0.974 48.2-109.2-172.5 164.8 22.1 50.8 32.2 7 7 A D G > S+ 0 0 0 -2,-0.3 3,-1.1 1,-0.2 195,-0.2 0.452 104.4 83.1 -84.6 0.7 20.9 53.8 30.2 8 8 A T G 3 S+ 0 0 1 1,-0.2 -1,-0.2 192,-0.1 1257,-0.2 0.764 77.7 68.8 -72.4 -23.2 23.5 52.9 27.6 9 9 A V G < + 0 0 14 -3,-0.8 -1,-0.2 1051,-0.1 -2,-0.1 0.447 69.2 128.8 -76.5 0.0 21.1 50.4 26.1 10 10 A T < - 0 0 0 -3,-1.1 1255,-0.2 188,-0.2 191,-0.0 -0.275 49.6-143.3 -56.8 140.0 18.8 53.1 24.8 11 11 A K - 0 0 94 1,-0.1 -1,-0.1 1047,-0.0 -2,-0.0 -0.719 27.3 -83.2-106.3 158.4 17.9 52.6 21.1 12 12 A P - 0 0 9 0, 0.0 191,-0.1 0, 0.0 -1,-0.1 -0.260 42.5-123.5 -59.8 140.3 17.4 55.3 18.4 13 13 A T > - 0 0 27 189,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.329 29.4-104.3 -76.7 166.5 14.0 56.9 18.2 14 14 A E H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.873 124.1 57.0 -59.6 -36.0 12.1 56.8 14.9 15 15 A E H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.927 107.7 46.7 -60.3 -46.5 13.1 60.5 14.4 16 16 A X H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.893 108.6 54.5 -63.3 -42.5 16.8 59.6 14.8 17 17 A R H X S+ 0 0 62 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.909 111.5 45.1 -60.1 -40.6 16.6 56.7 12.4 18 18 A K H X S+ 0 0 63 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.923 112.3 51.7 -67.9 -44.1 15.1 59.0 9.7 19 19 A A H < S+ 0 0 30 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.859 108.6 50.8 -61.3 -38.1 17.6 61.7 10.4 20 20 A X H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.914 107.3 54.4 -67.2 -40.7 20.5 59.3 10.0 21 21 A A H 3< S+ 0 0 26 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.850 118.8 32.7 -61.4 -37.2 19.2 58.0 6.7 22 22 A Q T 3< S+ 0 0 82 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.139 87.5 142.2-107.4 19.6 19.0 61.5 5.2 23 23 A A < - 0 0 6 -3,-1.1 2,-0.6 -4,-0.1 212,-0.1 -0.335 51.4-128.8 -63.7 138.2 22.0 63.0 7.0 24 24 A E - 0 0 56 210,-0.2 11,-1.0 -2,-0.0 2,-0.2 -0.798 39.1-175.7 -87.9 124.4 24.2 65.4 5.0 25 25 A V + 0 0 3 -2,-0.6 2,-0.3 9,-0.1 207,-0.1 -0.697 20.3 162.2-122.0 173.4 27.8 64.2 5.3 26 26 A G - 0 0 7 -2,-0.2 2,-0.9 205,-0.2 208,-0.3 -0.940 54.8 -61.7-169.3 178.4 31.4 65.0 4.4 27 27 A D > > - 0 0 2 -2,-0.3 5,-2.5 5,-0.2 3,-1.1 -0.674 40.1-165.1 -81.8 108.6 35.0 64.2 5.5 28 28 A D G > 5S+ 0 0 4 203,-1.7 3,-1.6 -2,-0.9 203,-0.2 0.782 84.8 67.9 -63.6 -28.0 35.3 65.2 9.1 29 29 A V G 3 5S+ 0 0 26 201,-0.4 -1,-0.3 1,-0.3 439,-0.1 0.859 107.1 41.6 -60.4 -31.7 39.1 65.0 9.0 30 30 A Y G < 5S- 0 0 77 -3,-1.1 -1,-0.3 201,-0.0 -2,-0.2 0.364 120.0-113.9 -93.7 3.9 38.9 68.0 6.6 31 31 A G T < 5S+ 0 0 40 -3,-1.6 -3,-0.2 -4,-0.1 -2,-0.1 0.761 82.3 125.6 68.6 25.9 36.2 69.6 8.8 32 32 A E < + 0 0 86 -5,-2.5 -4,-0.2 4,-0.0 -5,-0.2 0.300 26.7 106.4-101.8 9.4 33.8 69.1 5.9 33 33 A D > - 0 0 0 -7,-0.3 4,-2.2 -6,-0.2 5,-0.1 -0.815 52.7-161.7 -92.2 111.7 30.9 67.1 7.5 34 34 A P H > S+ 0 0 68 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.816 86.7 50.3 -58.2 -38.9 28.0 69.7 7.9 35 35 A T H > S+ 0 0 19 -11,-1.0 4,-2.2 2,-0.2 5,-0.1 0.891 110.0 48.3 -72.9 -40.1 26.1 67.7 10.4 36 36 A I H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.936 111.4 52.5 -63.4 -44.8 29.1 67.1 12.7 37 37 A N H X S+ 0 0 64 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.889 110.2 47.5 -58.7 -40.1 29.8 70.8 12.5 38 38 A E H X S+ 0 0 71 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.881 110.2 52.4 -69.3 -39.0 26.3 71.7 13.4 39 39 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.940 112.3 44.8 -62.1 -46.9 26.3 69.3 16.4 40 40 A E H X S+ 0 0 17 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.899 112.9 52.0 -65.5 -37.8 29.5 70.8 17.7 41 41 A R H X S+ 0 0 113 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.952 113.0 44.7 -61.8 -48.4 28.1 74.3 17.1 42 42 A L H X S+ 0 0 23 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.873 113.0 50.8 -62.4 -40.8 25.0 73.5 19.0 43 43 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 6,-0.2 0.935 110.3 48.2 -64.9 -48.1 26.9 71.8 21.9 44 44 A A H <>S+ 0 0 7 -4,-2.5 5,-2.7 1,-0.2 4,-0.5 0.953 114.8 47.0 -56.6 -49.0 29.2 74.7 22.4 45 45 A E H ><5S+ 0 0 114 -4,-2.3 3,-1.2 -5,-0.2 -2,-0.2 0.918 108.7 54.8 -58.2 -47.5 26.3 77.1 22.4 46 46 A T H 3<5S+ 0 0 44 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.840 116.4 36.4 -57.1 -37.9 24.3 74.9 24.8 47 47 A F T 3<5S- 0 0 3 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.320 112.1-115.8 -99.4 6.9 27.0 74.9 27.4 48 48 A G T < 5 + 0 0 47 -3,-1.2 2,-0.2 -4,-0.5 -3,-0.2 0.833 69.3 135.6 64.2 34.6 28.1 78.4 26.8 49 49 A K < - 0 0 37 -5,-2.7 -1,-0.2 -6,-0.2 163,-0.1 -0.728 64.3-119.6-112.7 163.8 31.6 77.5 25.5 50 50 A E S S- 0 0 44 -2,-0.2 2,-0.3 1,-0.1 162,-0.2 0.816 87.5 -1.4 -69.2 -34.8 33.7 78.6 22.6 51 51 A A E -B 211 0B 21 160,-2.4 160,-2.3 -7,-0.1 2,-0.3 -0.952 56.5-151.9-153.3 171.2 34.0 75.2 20.9 52 52 A A E -B 210 0B 4 -2,-0.3 2,-0.4 158,-0.2 158,-0.2 -0.973 5.2-151.5-147.2 159.9 33.1 71.5 21.0 53 53 A L E -B 209 0B 0 156,-2.4 156,-2.1 -2,-0.3 2,-0.3 -0.987 15.0-137.7-139.4 123.7 34.5 68.2 19.7 54 54 A F E -B 208 0B 0 -2,-0.4 154,-0.2 154,-0.2 152,-0.1 -0.645 27.7-176.3 -81.1 132.6 32.5 65.1 18.9 55 55 A V E -B 207 0B 0 152,-2.7 152,-2.2 -2,-0.3 174,-0.0 -0.923 36.0-119.6-130.3 156.9 34.0 61.8 20.1 56 56 A P S S+ 0 0 2 0, 0.0 150,-0.9 0, 0.0 2,-0.3 0.679 92.6 3.9 -64.8 -22.7 33.1 58.0 19.8 57 57 A S > - 0 0 2 148,-0.1 4,-2.0 1206,-0.1 150,-0.2 -0.990 69.0-111.4-160.3 160.9 32.7 57.5 23.5 58 58 A G H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.831 116.2 61.2 -65.4 -32.7 32.7 59.3 26.9 59 59 A T H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.953 107.0 43.7 -60.0 -46.7 35.9 57.5 27.7 60 60 A X H > S+ 0 0 0 1200,-0.3 4,-3.1 1,-0.2 5,-0.4 0.900 110.3 56.9 -65.9 -36.4 37.7 59.2 24.8 61 61 A G H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.925 111.4 42.5 -57.8 -45.2 36.0 62.5 25.8 62 62 A N H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.922 116.3 48.9 -66.9 -44.3 37.6 62.2 29.2 63 63 A Q H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.859 109.7 47.9 -68.6 -37.7 40.9 61.0 27.9 64 64 A V H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.844 112.6 52.9 -71.4 -28.7 41.4 63.7 25.2 65 65 A S H X S+ 0 0 0 -4,-1.3 4,-1.9 -5,-0.4 -2,-0.2 0.940 108.8 47.7 -68.3 -46.0 40.5 66.2 27.8 66 66 A I H X S+ 0 0 2 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.933 114.0 47.9 -60.0 -44.7 43.1 64.9 30.2 67 67 A X H < S+ 0 0 14 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.923 112.2 48.3 -61.9 -45.0 45.7 64.9 27.4 68 68 A A H < S+ 0 0 9 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.766 116.9 43.7 -67.7 -25.6 44.8 68.5 26.4 69 69 A H H < S+ 0 0 14 -4,-1.9 -1,-0.2 -3,-0.1 2,-0.2 0.627 112.9 52.3 -93.2 -17.4 44.9 69.7 30.0 70 70 A T < - 0 0 8 -4,-1.5 2,-0.3 -3,-0.3 59,-0.0 -0.679 58.2-144.3-123.5 174.4 48.1 68.0 31.1 71 71 A Q > - 0 0 97 -2,-0.2 3,-2.0 344,-0.1 59,-0.1 -0.898 52.6 -72.6-128.3 156.2 51.8 67.2 30.5 72 72 A R T 3 S+ 0 0 40 -2,-0.3 26,-0.2 1,-0.3 25,-0.2 -0.193 119.3 20.6 -51.9 135.5 53.6 64.0 31.2 73 73 A G T 3 S+ 0 0 4 24,-2.8 -1,-0.3 1,-0.3 55,-0.2 0.372 91.3 133.7 87.5 -6.3 54.2 63.4 35.0 74 74 A D < - 0 0 13 -3,-2.0 25,-2.3 22,-0.3 2,-0.4 -0.225 52.3-123.8 -70.9 167.6 51.4 65.7 36.1 75 75 A E E -cd 99 129B 0 53,-2.6 55,-1.7 23,-0.2 56,-1.1 -0.908 14.0-153.4-116.0 143.4 48.9 64.8 38.8 76 76 A V E -cd 100 131B 1 23,-2.7 25,-2.6 -2,-0.4 2,-0.4 -0.968 9.8-144.7-119.2 117.8 45.1 64.8 38.3 77 77 A I E +cd 101 132B 0 54,-2.8 56,-2.9 -2,-0.5 2,-0.3 -0.674 35.0 157.5 -80.0 130.9 42.9 65.3 41.4 78 78 A L E -cd 102 133B 0 23,-1.4 25,-2.2 -2,-0.4 56,-0.1 -0.983 46.9 -81.5-152.4 158.8 39.8 63.2 41.1 79 79 A E E > -c 103 0B 2 54,-0.5 3,-2.2 -2,-0.3 6,-0.2 -0.384 40.1-122.5 -65.0 134.7 37.0 61.7 43.3 80 80 A A T 3 S+ 0 0 25 23,-2.5 -1,-0.1 1,-0.3 30,-0.0 0.637 110.5 38.9 -53.5 -19.3 38.0 58.3 44.8 81 81 A D T 3 S+ 0 0 58 22,-0.3 59,-0.5 4,-0.0 -1,-0.3 0.031 88.4 133.1-121.7 27.9 35.0 56.5 43.2 82 82 A S <> - 0 0 6 -3,-2.2 4,-2.3 1,-0.1 3,-0.4 -0.444 64.2-121.6 -82.3 153.1 35.0 58.3 39.8 83 83 A H H > S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.856 110.9 58.1 -58.5 -39.6 34.7 56.6 36.5 84 84 A I H 4 S+ 0 0 7 1,-0.2 4,-0.4 2,-0.2 8,-0.3 0.875 113.6 38.9 -60.8 -37.4 38.0 58.0 35.2 85 85 A F H 4 S+ 0 0 18 -3,-0.4 -2,-0.2 -6,-0.2 -1,-0.2 0.843 129.7 28.9 -81.1 -33.9 39.8 56.4 38.1 86 86 A W H < S+ 0 0 51 -4,-2.3 3,-0.2 1,-0.1 -3,-0.2 0.847 126.1 27.4 -96.7 -41.4 37.8 53.1 38.1 87 87 A Y S < S+ 0 0 50 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.152 90.3 86.6-118.5 22.0 36.5 52.2 34.7 88 88 A E S > S- 0 0 2 -4,-0.4 3,-2.6 -5,-0.3 4,-0.2 -0.079 96.1-109.9-114.7 36.1 38.8 53.7 32.0 89 89 A V T 3 - 0 0 1 724,-2.3 725,-0.1 1,-0.3 727,-0.1 0.688 66.1 -69.0 49.5 29.1 41.3 50.9 31.8 90 90 A G T >> S+ 0 0 3 723,-0.2 4,-1.6 -6,-0.2 3,-1.0 0.721 89.7 149.9 65.7 20.8 44.1 52.9 33.4 91 91 A A H <>> + 0 0 1 -3,-2.6 4,-3.1 1,-0.2 5,-0.7 0.828 59.0 63.9 -55.6 -37.0 44.1 55.1 30.2 92 92 A X H 3>5S+ 0 0 1 -8,-0.3 6,-1.8 1,-0.2 4,-1.0 0.867 106.5 44.4 -59.6 -34.2 45.2 58.3 32.0 93 93 A A H <45S+ 0 0 1 -3,-1.0 4,-0.4 4,-0.2 -1,-0.2 0.899 120.8 38.6 -75.9 -41.7 48.6 56.6 32.9 94 94 A V H <5S+ 0 0 15 -4,-1.6 -2,-0.2 691,-0.2 -3,-0.2 0.940 125.0 34.5 -75.1 -49.2 49.2 55.1 29.5 95 95 A L H <5S+ 0 0 2 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.883 136.1 18.9 -75.4 -41.4 47.9 57.9 27.2 96 96 A S S < S-H 109 0C 161 3,-2.5 3,-1.6 -2,-0.3 35,-0.0 -0.888 99.1 -27.6-100.7 106.6 30.4 62.2 49.9 107 107 A N T 3 S- 0 0 63 -2,-0.8 31,-0.3 1,-0.3 -1,-0.2 0.904 132.2 -40.9 53.5 46.2 28.2 61.0 47.0 108 108 A G T 3 S+ 0 0 1 1,-0.2 2,-0.8 -3,-0.2 27,-0.4 0.252 114.1 116.5 90.6 -13.7 30.6 62.6 44.5 109 109 A A E < -H 106 0C 21 -3,-1.6 -3,-2.5 36,-0.1 2,-0.3 -0.800 51.6-155.6 -96.2 108.8 31.3 65.8 46.4 110 110 A X E -H 105 0C 1 -2,-0.8 -5,-0.2 -5,-0.3 44,-0.1 -0.630 32.4-105.8 -78.7 136.0 35.0 66.1 47.4 111 111 A D >> - 0 0 75 -7,-0.6 4,-1.7 -2,-0.3 3,-1.1 -0.470 25.7-134.1 -62.5 123.7 35.3 68.4 50.5 112 112 A P H 3> S+ 0 0 14 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.839 105.7 56.0 -49.3 -35.2 36.8 71.6 49.0 113 113 A D H 3> S+ 0 0 113 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.857 104.8 51.2 -67.1 -35.3 39.3 71.7 51.9 114 114 A D H <> S+ 0 0 78 -3,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.840 107.7 54.0 -69.9 -32.5 40.5 68.2 51.0 115 115 A V H X S+ 0 0 0 -4,-1.7 4,-0.6 2,-0.2 3,-0.4 0.924 106.9 50.8 -65.8 -44.1 41.0 69.3 47.4 116 116 A R H >< S+ 0 0 42 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.883 111.0 48.8 -60.6 -38.9 43.1 72.3 48.6 117 117 A K H 3< S+ 0 0 82 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.726 104.3 60.6 -74.2 -21.2 45.3 69.9 50.6 118 118 A A H 3< S+ 0 0 5 -4,-1.2 2,-0.4 -3,-0.4 -1,-0.2 0.593 78.6 104.0 -81.6 -12.3 45.7 67.5 47.6 119 119 A I S << S- 0 0 25 -3,-0.7 9,-0.1 -4,-0.6 -3,-0.0 -0.596 77.5-124.1 -73.1 124.7 47.3 70.2 45.5 120 120 A R - 0 0 21 -2,-0.4 9,-0.3 7,-0.1 2,-0.1 -0.463 17.7-128.3 -72.8 136.8 51.1 69.4 45.4 121 121 A P - 0 0 83 0, 0.0 2,-0.6 0, 0.0 5,-0.1 -0.420 41.6 -85.5 -77.7 162.7 53.4 72.1 46.6 122 122 A R S S+ 0 0 216 -2,-0.1 2,-0.3 3,-0.1 6,-0.1 -0.601 74.9 134.3 -73.4 115.2 56.3 73.0 44.2 123 123 A N > - 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0 0 2 3,-0.2 3,-2.4 -2,-0.2 -120,-0.1 -0.961 60.4 -64.3-170.0 177.9 15.8 55.2 30.6 321 321 A K T 3 S+ 0 0 47 1,-0.3 -121,-0.1 -2,-0.3 -314,-0.0 0.788 125.6 56.3 -48.2 -37.3 13.7 55.9 27.6 322 322 A D T 3 S+ 0 0 66 1,-0.1 2,-0.5 -319,-0.1 -1,-0.3 0.240 94.2 74.9 -87.2 19.2 13.3 52.2 26.7 323 323 A V S < S- 0 0 2 -3,-2.4 -3,-0.2 -321,-0.1 -1,-0.1 -0.906 71.2-169.3-127.5 98.2 11.8 51.4 30.1 324 324 A S > - 0 0 49 -2,-0.5 4,-2.2 1,-0.1 5,-0.1 -0.269 39.3-103.2 -82.5 172.6 8.2 52.7 30.2 325 325 A R H > S+ 0 0 90 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.880 126.3 55.1 -63.2 -35.1 5.9 52.9 33.2 326 326 A N H > S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 107.4 48.8 -63.2 -39.0 4.2 49.8 31.9 327 327 A D H > S+ 0 0 46 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.880 110.2 51.7 -67.5 -37.2 7.6 48.0 31.8 328 328 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.930 110.8 47.6 -63.6 -45.9 8.2 49.2 35.4 329 329 A E H X S+ 0 0 86 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.896 113.4 47.8 -63.7 -39.4 4.9 47.8 36.5 330 330 A E H X S+ 0 0 108 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.911 111.0 51.0 -67.8 -41.4 5.6 44.5 34.7 331 331 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.912 107.4 54.6 -60.9 -41.9 9.0 44.4 36.3 332 332 A L H X S+ 0 0 9 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.878 103.9 53.3 -61.1 -38.3 7.4 45.0 39.7 333 333 A N H X S+ 0 0 94 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.902 111.4 47.8 -63.4 -37.3 5.1 42.0 39.2 334 334 A I H X S+ 0 0 22 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.919 111.2 49.1 -68.0 -44.8 8.2 39.9 38.5 335 335 A F H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.892 109.4 54.4 -61.9 -38.0 10.0 41.2 41.5 336 336 A E H X S+ 0 0 102 -4,-2.7 4,-1.4 1,-0.2 3,-0.2 0.961 110.0 45.1 -60.1 -50.5 6.9 40.5 43.6 337 337 A K H X S+ 0 0 157 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.860 112.8 51.3 -63.0 -34.9 6.9 36.9 42.5 338 338 A L H X S+ 0 0 5 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.810 102.4 59.4 -73.2 -28.9 10.6 36.5 43.0 339 339 A F H X S+ 0 0 44 -4,-2.0 4,-2.0 -3,-0.2 -1,-0.2 0.883 102.0 54.7 -66.1 -36.0 10.4 37.9 46.6 340 340 A R H < S+ 0 0 81 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.850 115.8 39.8 -63.6 -33.0 8.0 35.0 47.4 341 341 A K H < S+ 0 0 149 -4,-0.9 -2,-0.2 1,-0.1 -1,-0.2 0.867 126.6 28.6 -85.4 -38.7 10.7 32.6 46.2 342 342 A F H < 0 0 49 -4,-3.0 -52,-3.3 1,-0.1 -51,-0.3 0.451 360.0 360.0-107.5 -0.3 13.9 34.1 47.4 343 343 A S < 0 0 65 -4,-2.0 -1,-0.1 -5,-0.2 -3,-0.1 0.826 360.0 360.0 -71.0 360.0 13.1 36.0 50.6 344 !* 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 0.0 345 1 B X 0 0 161 0, 0.0 2,-0.8 0, 0.0 304,-0.2 0.000 360.0 360.0 360.0 132.1 94.6 42.2 27.1 346 2 B I E -m 649 0F 17 302,-2.9 304,-2.9 325,-0.1 2,-0.9 -0.880 360.0-148.6 -96.9 111.5 94.9 45.3 24.8 347 3 B D E +m 650 0F 27 -2,-0.8 304,-0.1 319,-0.3 3,-0.1 -0.733 38.4 151.4 -91.1 104.0 91.5 46.9 25.0 348 4 B L + 0 0 0 302,-2.5 314,-2.4 -2,-0.9 304,-0.3 0.151 45.7 103.6-111.5 16.0 90.4 48.8 21.9 349 5 B R S S- 0 0 19 302,-0.2 2,-0.3 1,-0.2 303,-0.2 0.913 92.9 -33.3 -64.7 -46.0 86.7 48.2 22.4 350 6 B S > - 0 0 5 312,-0.2 3,-0.7 -3,-0.1 -1,-0.2 -0.978 47.5-111.2-168.4 165.7 85.9 51.7 23.6 351 7 B D G > S+ 0 0 0 -2,-0.3 3,-1.1 1,-0.2 195,-0.2 0.438 102.5 84.3 -86.3 0.8 87.2 54.7 25.5 352 8 B T G 3 S+ 0 0 1 1,-0.2 -1,-0.2 192,-0.0 568,-0.2 0.741 76.4 69.7 -72.5 -21.9 84.6 54.0 28.2 353 9 B V G < + 0 0 15 -3,-0.7 -1,-0.2 362,-0.1 -2,-0.1 0.459 69.4 129.4 -76.5 -0.7 87.0 51.4 29.7 354 10 B T < - 0 0 0 -3,-1.1 566,-0.2 188,-0.2 360,-0.1 -0.277 49.6-143.3 -57.5 138.1 89.4 54.2 30.9 355 11 B K - 0 0 97 1,-0.1 -1,-0.1 358,-0.0 -2,-0.0 -0.731 26.6 -84.0-105.0 155.5 90.3 53.9 34.6 356 12 B P - 0 0 8 0, 0.0 191,-0.1 0, 0.0 -1,-0.1 -0.209 40.6-125.7 -56.6 140.8 90.9 56.6 37.2 357 13 B T > - 0 0 26 189,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.368 28.9-105.9 -79.9 166.3 94.3 58.3 37.3 358 14 B E H > S+ 0 0 149 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.885 123.2 56.7 -61.6 -37.0 96.1 58.4 40.7 359 15 B E H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 107.8 48.7 -60.0 -40.1 95.2 62.1 41.0 360 16 B X H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.903 107.4 53.3 -67.2 -43.7 91.6 61.2 40.6 361 17 B R H X S+ 0 0 35 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.905 111.9 46.0 -59.7 -40.2 91.7 58.4 43.2 362 18 B K H X S+ 0 0 64 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.906 111.5 52.0 -68.2 -42.2 93.2 60.9 45.7 363 19 B A H < S+ 0 0 28 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.890 109.4 49.3 -61.7 -41.6 90.6 63.5 44.9 364 20 B X H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.892 109.8 51.4 -65.5 -40.4 87.7 61.2 45.4 365 21 B A H 3< S+ 0 0 22 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.828 117.7 38.5 -66.0 -32.5 89.0 60.0 48.7 366 22 B Q T 3< S+ 0 0 81 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.279 87.4 143.7-100.6 9.2 89.4 63.7 49.9 367 23 B A < - 0 0 5 -3,-0.9 2,-0.6 -4,-0.3 212,-0.1 -0.213 49.2-134.8 -56.8 132.5 86.2 64.9 48.2 368 24 B E - 0 0 57 210,-0.2 11,-1.1 9,-0.0 2,-0.2 -0.801 39.0-178.6 -86.9 120.0 84.1 67.5 50.1 369 25 B V + 0 0 6 -2,-0.6 2,-0.3 9,-0.1 207,-0.1 -0.727 22.1 167.9-123.3 171.1 80.5 66.3 49.8 370 26 B G - 0 0 9 -2,-0.2 2,-0.9 205,-0.2 208,-0.4 -0.911 53.7 -66.2-161.6 179.9 77.0 67.1 50.8 371 27 B D > > - 0 0 3 -2,-0.3 5,-2.1 5,-0.2 3,-1.3 -0.724 40.3-161.7 -84.5 109.6 73.5 66.0 49.9 372 28 B D G > 5S+ 0 0 4 203,-2.1 3,-1.8 -2,-0.9 203,-0.2 0.767 84.6 69.1 -62.1 -27.8 72.9 66.8 46.2 373 29 B V G 3 5S+ 0 0 27 201,-0.4 -1,-0.3 1,-0.3 -249,-0.1 0.834 106.5 41.9 -61.1 -28.2 69.1 66.6 46.5 374 30 B Y G < 5S- 0 0 72 -3,-1.3 -1,-0.3 201,-0.1 -2,-0.2 0.345 119.8-114.2 -96.5 5.1 69.3 69.7 48.6 375 31 B G T < 5S+ 0 0 37 -3,-1.8 -3,-0.2 -4,-0.1 -2,-0.1 0.797 81.6 125.6 66.8 29.9 71.9 71.2 46.2 376 32 B E < + 0 0 85 -5,-2.1 -4,-0.2 4,-0.0 -5,-0.2 0.274 25.2 109.2-105.9 10.2 74.5 71.0 49.1 377 33 B D > - 0 0 0 -7,-0.3 4,-2.7 -6,-0.2 5,-0.2 -0.786 51.7-161.1 -90.3 109.1 77.3 69.0 47.6 378 34 B P H > S+ 0 0 69 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.835 87.9 47.6 -55.3 -40.4 80.2 71.5 47.1 379 35 B T H > S+ 0 0 19 -11,-1.1 4,-2.4 2,-0.2 5,-0.2 0.892 112.3 47.4 -73.8 -41.0 82.1 69.4 44.6 380 36 B I H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.933 112.8 52.3 -63.2 -43.9 79.1 68.6 42.4 381 37 B N H X S+ 0 0 65 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.888 110.7 46.0 -59.7 -39.8 78.2 72.3 42.6 382 38 B E H X S+ 0 0 75 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.880 110.4 53.2 -71.3 -39.0 81.7 73.3 41.5 383 39 B L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.922 112.2 45.5 -62.1 -43.1 81.8 70.8 38.6 384 40 B E H X S+ 0 0 17 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.907 113.2 49.3 -67.7 -39.5 78.5 72.1 37.4 385 41 B R H X S+ 0 0 112 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.942 114.9 45.1 -62.5 -46.0 79.7 75.7 37.7 386 42 B L H X S+ 0 0 17 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.891 112.9 50.6 -63.3 -42.6 82.9 74.9 35.8 387 43 B A H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.930 112.0 46.9 -62.7 -46.2 81.0 72.9 33.2 388 44 B A H <>S+ 0 0 7 -4,-2.6 5,-3.0 2,-0.2 4,-0.5 0.926 114.4 47.3 -61.6 -45.4 78.6 75.7 32.5 389 45 B E H ><5S+ 0 0 120 -4,-2.4 3,-1.3 -5,-0.2 -2,-0.2 0.934 109.7 53.1 -60.9 -48.8 81.4 78.3 32.4 390 46 B T H 3<5S+ 0 0 44 -4,-2.9 138,-0.3 1,-0.3 -1,-0.2 0.857 114.7 41.1 -57.0 -38.4 83.5 76.1 30.0 391 47 B F T 3<5S- 0 0 1 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.409 112.6-115.7 -93.1 3.8 80.6 75.8 27.6 392 48 B G T < 5S+ 0 0 55 -3,-1.3 2,-0.3 -4,-0.5 -3,-0.2 0.853 73.0 127.6 67.3 34.7 79.4 79.4 27.8 393 49 B K < - 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