==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 10-FEB-09 2ZZE . COMPND 2 MOLECULE: ALANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR M.SOKABE,T.OSE,K.TOKUNAGA,A.NAKAMURA,O.NUREKI,M.YAO,I.TANAKA . 1488 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67536.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1040 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 275 18.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 17 1.1 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 . 2 0.1 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 . 110 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 454 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 6 4 2 0 3 2 0 6 4 3 2 0 0 2 0 2 0 0 0 0 0 2 0 0 0 2 2 RESIDUES PER ALPHA HELIX . 1 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 0 PARALLEL BRIDGES PER LADDER . 4 7 5 10 6 8 2 6 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 2 2 0 0 2 0 0 0 0 0 2 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 E 0 0 192 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -36.5 36.9 17.5 51.5 2 3 A F - 0 0 36 2,-0.0 2,-0.6 186,-0.0 186,-0.0 -0.849 360.0-143.2-100.9 130.1 35.8 18.1 47.9 3 4 A I + 0 0 116 -2,-0.5 0, 0.0 1,-0.1 0, 0.0 -0.816 24.6 170.9 -89.4 118.3 35.9 21.6 46.4 4 5 A M + 0 0 5 -2,-0.6 -1,-0.1 2,-0.1 2,-0.1 -0.018 20.8 142.2-123.8 27.4 32.9 21.9 44.0 5 6 A X - 0 0 191 4,-0.1 2,-0.3 3,-0.0 158,-0.1 -0.426 30.1-168.9 -59.4 140.9 33.1 25.7 43.3 6 7 A T > - 0 0 6 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.932 36.1-113.5-132.9 161.4 32.1 26.4 39.7 7 8 A R H > S+ 0 0 82 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.919 118.5 51.3 -54.6 -48.9 32.3 29.4 37.3 8 9 A M H > S+ 0 0 10 155,-0.2 4,-2.6 2,-0.2 6,-0.4 0.902 109.7 48.9 -56.4 -46.6 28.4 29.5 37.2 9 10 A F H 4>S+ 0 0 1 2,-0.2 5,-1.7 1,-0.2 4,-0.5 0.934 117.4 41.9 -58.9 -48.3 28.2 29.5 41.0 10 11 A E H ><5S+ 0 0 160 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.930 121.3 39.6 -63.7 -49.6 30.8 32.3 41.2 11 12 A E H 3<5S+ 0 0 126 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.780 117.5 46.1 -75.8 -30.1 29.5 34.4 38.3 12 13 A E T 3<5S- 0 0 119 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.272 112.2-104.5-107.1 12.2 25.7 34.0 38.9 13 14 A G T < 5 + 0 0 47 -3,-0.5 2,-0.2 -4,-0.5 -3,-0.2 0.716 56.5 164.6 81.0 24.2 25.5 34.6 42.7 14 15 A W < - 0 0 12 -5,-1.7 2,-0.5 -6,-0.4 15,-0.2 -0.515 26.2-144.1 -71.4 140.3 25.0 31.1 44.0 15 16 A I E -A 28 0A 83 13,-3.2 13,-1.8 -2,-0.2 2,-0.5 -0.936 3.5-138.3-113.5 125.2 25.6 30.8 47.8 16 17 A R E +A 27 0A 126 -2,-0.5 2,-0.3 11,-0.2 11,-0.2 -0.693 34.8 169.4 -78.9 123.1 27.2 27.7 49.4 17 18 A X E -A 26 0A 63 9,-3.2 9,-2.1 -2,-0.5 2,-0.5 -0.788 36.2-118.5-127.2 171.3 25.4 26.9 52.6 18 19 A X E -A 25 0A 212 -2,-0.3 6,-0.1 7,-0.2 2,-0.1 -0.969 38.3-114.3-111.3 125.2 25.2 24.1 55.2 19 20 A C > - 0 0 3 5,-3.1 4,-1.6 -2,-0.5 16,-0.2 -0.397 16.6-144.3 -64.3 132.0 21.9 22.4 55.4 20 21 A X T 4 S+ 0 0 204 14,-2.1 -1,-0.2 2,-0.2 15,-0.1 0.622 96.3 38.8 -74.8 -12.3 20.4 23.1 58.9 21 22 A V T 4 S+ 0 0 89 13,-0.2 -1,-0.1 3,-0.1 14,-0.1 0.864 132.4 17.8 -99.6 -55.1 18.8 19.6 59.0 22 23 A C T 4 S- 0 0 55 2,-0.1 -2,-0.2 1,-0.0 13,-0.1 0.499 90.1-131.5 -99.7 -6.5 21.3 17.2 57.4 23 24 A G < + 0 0 45 -4,-1.6 -3,-0.1 1,-0.2 12,-0.0 0.502 59.3 137.0 69.8 3.5 24.5 19.4 57.6 24 25 A X - 0 0 117 -6,-0.1 -5,-3.1 1,-0.1 -1,-0.2 -0.528 58.2-107.8 -80.1 151.4 25.4 18.7 54.0 25 26 A P E +A 18 0A 30 0, 0.0 163,-2.2 0, 0.0 2,-0.3 -0.502 42.9 169.3 -77.2 146.1 26.7 21.5 51.7 26 27 A F E -AB 17 187A 0 -9,-2.1 -9,-3.2 161,-0.3 2,-0.4 -0.977 27.7-129.4-152.1 157.7 24.4 22.9 49.0 27 28 A W E +AB 16 186A 22 159,-2.1 159,-1.6 -2,-0.3 2,-0.3 -0.919 30.4 171.8-113.7 136.1 24.3 25.8 46.6 28 29 A T E -A 15 0A 1 -13,-1.8 -13,-3.2 -2,-0.4 157,-0.1 -0.985 38.8-153.9-143.8 153.2 21.3 28.1 46.2 29 30 A L S S+ 0 0 48 155,-0.4 153,-0.1 -2,-0.3 154,-0.1 0.468 78.2 95.2 -93.0 -9.7 20.2 31.4 44.5 30 31 A D > - 0 0 42 152,-0.3 3,-1.4 1,-0.1 -15,-0.0 -0.771 61.9-159.6 -93.0 113.3 17.6 31.8 47.3 31 32 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.687 91.4 50.7 -67.3 -17.6 18.8 34.1 50.1 32 33 A D T 3 S+ 0 0 134 2,-0.0 2,-0.5 0, 0.0 -2,-0.0 0.351 82.6 109.2-101.2 5.3 16.2 32.7 52.5 33 34 A R < + 0 0 26 -3,-1.4 -5,-0.1 1,-0.1 3,-0.0 -0.720 29.8 165.3 -84.1 127.6 16.8 28.9 51.9 34 35 A E + 0 0 82 -2,-0.5 -14,-2.1 -17,-0.1 2,-0.3 0.409 57.6 69.3-115.1 -5.8 18.5 27.1 54.9 35 36 A T S S- 0 0 23 -16,-0.2 -16,-0.1 -15,-0.1 7,-0.0 -0.849 81.5-120.1-120.6 156.0 17.8 23.5 53.8 36 37 A C - 0 0 0 -2,-0.3 168,-0.2 2,-0.2 -9,-0.1 0.667 44.5-115.5 -71.4 -19.5 19.3 21.4 51.0 37 38 A G S S+ 0 0 3 1,-0.3 170,-0.3 -11,-0.1 168,-0.2 0.451 79.8 112.7 97.6 2.9 16.0 20.7 49.2 38 39 A D S >> S- 0 0 33 166,-0.1 3,-1.9 168,-0.1 4,-0.6 -0.909 70.8 -71.6-113.0 130.3 16.1 16.9 49.8 39 40 A P T 34 S+ 0 0 19 0, 0.0 4,-0.1 0, 0.0 261,-0.1 -0.243 115.7 24.6 -54.7 149.0 13.7 15.0 52.1 40 41 A P T 34 S+ 0 0 83 0, 0.0 260,-0.1 0, 0.0 3,-0.1 -0.957 125.5 54.2 -82.7 9.2 13.4 14.9 55.0 41 42 A C T <4 S+ 0 0 17 -3,-1.9 2,-0.3 1,-0.1 -21,-0.1 0.863 126.8 14.6 -67.0 -37.4 15.0 18.4 55.0 42 43 A D S < S- 0 0 28 -4,-0.6 2,-0.2 165,-0.1 -1,-0.1 -0.892 81.2-127.9-130.9 164.5 12.4 19.5 52.5 43 44 A E - 0 0 84 -2,-0.3 2,-0.3 -4,-0.1 165,-0.1 -0.718 36.1 -85.4-111.9 160.3 9.1 18.0 51.4 44 45 A Y + 0 0 8 252,-0.3 163,-0.3 -2,-0.2 162,-0.1 -0.517 43.9 177.3 -61.8 124.5 7.6 17.2 48.0 45 46 A Q + 0 0 82 161,-2.9 162,-0.1 -2,-0.3 -1,-0.1 0.280 63.5 67.7-114.7 6.4 6.0 20.5 46.8 46 47 A F > + 0 0 0 160,-0.5 3,-1.8 2,-0.1 2,-0.6 0.462 60.8 114.3-111.5 -4.6 4.8 19.4 43.3 47 48 A I T 3 S+ 0 0 6 1,-0.3 215,-0.2 2,-0.1 214,-0.1 -0.611 100.0 3.9 -76.8 114.7 2.0 16.9 44.0 48 49 A G T 3 S+ 0 0 58 213,-2.3 -1,-0.3 -2,-0.6 214,-0.1 0.396 132.5 69.8 85.3 0.0 -1.2 18.5 42.8 49 50 A K S < S- 0 0 116 -3,-1.8 212,-0.2 213,-0.1 -2,-0.1 -0.556 81.8-140.9-150.8 81.9 1.0 21.4 41.5 50 51 A P - 0 0 29 0, 0.0 209,-0.2 0, 0.0 208,-0.1 -0.079 2.2-155.2 -49.3 131.2 3.4 20.6 38.6 51 52 A G S S+ 0 0 6 207,-1.6 129,-0.4 154,-0.1 208,-0.2 0.550 84.7 64.8 -86.1 -11.8 6.8 22.2 38.9 52 53 A I S S- 0 0 0 206,-1.1 126,-0.1 127,-0.1 127,-0.1 -0.975 87.9-136.4-109.0 126.4 7.3 22.2 35.1 53 54 A P S S+ 0 0 94 0, 0.0 2,-0.4 0, 0.0 125,-0.1 0.602 83.3 46.6 -69.7 -15.8 4.7 24.5 33.5 54 55 A R S S- 0 0 106 123,-0.3 2,-0.1 -3,-0.0 -3,-0.0 -0.972 88.0-110.4-125.0 148.0 3.7 22.2 30.7 55 56 A X - 0 0 164 -2,-0.4 2,-0.4 205,-0.1 205,-0.1 -0.444 30.8-164.7 -75.5 142.3 2.9 18.5 30.7 56 57 A Y - 0 0 4 200,-0.3 2,-0.2 -2,-0.1 203,-0.1 -0.976 11.2-148.1-127.1 140.0 5.2 15.9 29.1 57 58 A T > - 0 0 69 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.454 40.9-100.0 -84.9 173.0 4.7 12.3 28.1 58 59 A L H > S+ 0 0 23 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.918 124.7 49.7 -59.9 -45.3 7.7 9.9 28.3 59 60 A D H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.893 112.5 47.5 -62.6 -42.1 8.3 10.2 24.6 60 61 A E H > S+ 0 0 88 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.941 114.9 44.2 -64.3 -48.6 8.2 14.1 24.7 61 62 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.913 113.1 51.1 -65.3 -45.0 10.6 14.4 27.7 62 63 A R H X S+ 0 0 21 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.904 114.8 42.8 -57.4 -47.2 13.1 11.8 26.4 63 64 A E H X S+ 0 0 56 -4,-2.0 4,-2.8 -5,-0.2 5,-0.3 0.895 110.3 57.0 -69.1 -40.1 13.3 13.6 23.0 64 65 A X H X S+ 0 0 92 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.930 112.8 41.8 -52.1 -49.2 13.4 17.0 24.7 65 66 A F H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 5,-0.3 0.948 116.2 46.5 -64.2 -53.1 16.5 15.9 26.6 66 67 A L H X S+ 0 0 14 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.920 114.2 47.2 -59.8 -46.9 18.2 14.1 23.8 67 68 A R H X S+ 0 0 139 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.874 106.5 58.6 -64.3 -40.9 17.7 16.9 21.3 68 69 A F H < S+ 0 0 15 -4,-1.7 4,-0.2 -5,-0.3 -1,-0.2 0.936 115.0 34.9 -54.4 -51.7 18.9 19.6 23.7 69 70 A F H >< S+ 0 0 0 -4,-1.8 8,-1.6 2,-0.2 3,-0.7 0.878 117.5 53.8 -73.1 -38.1 22.3 18.0 24.1 70 71 A E H 3< S+ 0 0 53 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.918 117.7 34.4 -61.2 -45.8 22.6 16.7 20.6 71 72 A X T 3< S+ 0 0 145 -4,-2.9 -1,-0.2 5,-0.2 -2,-0.2 0.246 82.2 141.9 -96.8 10.6 21.9 20.1 19.0 72 73 A H < - 0 0 22 -3,-0.7 -3,-0.1 3,-0.3 -4,-0.0 -0.301 46.9-144.5 -58.8 134.4 23.7 22.2 21.6 73 74 A E S S+ 0 0 112 2,-0.2 -1,-0.1 1,-0.1 -4,-0.0 0.771 95.3 29.5 -76.1 -28.6 25.5 25.1 19.9 74 75 A I S S+ 0 0 119 1,-0.2 -1,-0.1 0, 0.0 -2,-0.1 0.846 135.5 23.6 -96.8 -46.6 28.5 25.1 22.2 75 76 A Y S S- 0 0 66 89,-0.1 -3,-0.3 2,-0.0 -1,-0.2 -0.654 75.0-172.0-123.1 74.2 28.7 21.5 23.3 76 77 A P - 0 0 77 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.429 12.4-150.0 -64.7 139.5 27.0 19.2 20.7 77 78 A H - 0 0 6 -8,-1.6 2,-0.5 -11,-0.2 42,-0.3 -0.902 14.3-120.8-112.3 141.4 26.7 15.6 21.9 78 79 A G E -c 119 0A 30 40,-2.6 42,-2.1 -2,-0.4 2,-0.4 -0.712 31.8-127.4 -77.4 122.5 26.6 12.4 19.8 79 80 A R E -c 120 0A 82 -2,-0.5 2,-0.4 40,-0.2 42,-0.2 -0.585 26.0-159.1 -73.9 126.5 23.3 10.6 20.3 80 81 A V - 0 0 8 40,-2.7 42,-0.5 -2,-0.4 3,-0.1 -0.929 18.3-118.2-114.7 131.0 24.0 7.0 21.3 81 82 A X - 0 0 130 -2,-0.4 42,-0.0 1,-0.1 40,-0.0 -0.387 45.1 -96.0 -62.2 140.2 21.4 4.2 20.9 82 83 A R - 0 0 47 40,-0.2 -1,-0.1 1,-0.1 41,-0.1 -0.190 37.2-123.3 -62.3 149.3 20.5 2.6 24.3 83 84 A Y - 0 0 7 1,-0.1 -1,-0.1 -3,-0.1 19,-0.0 -0.520 33.9 -90.6 -88.1 159.3 22.3 -0.6 25.4 84 85 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 12,-0.1 -0.371 31.9-120.4 -64.4 153.6 20.6 -3.8 26.3 85 86 A V S S+ 0 0 0 264,-0.3 11,-2.6 10,-0.1 41,-0.2 0.677 101.8 79.0 -70.1 -16.4 19.7 -4.1 30.0 86 87 A L S S- 0 0 24 267,-0.2 2,-2.0 9,-0.2 9,-0.2 -0.851 87.6-135.3 -88.5 120.0 21.9 -7.3 29.9 87 88 A P > + 0 0 9 0, 0.0 3,-2.2 0, 0.0 6,-0.2 -0.459 33.5 168.8 -84.1 74.6 25.5 -6.1 30.0 88 89 A R T 3 S+ 0 0 42 -2,-2.0 602,-0.1 1,-0.3 -3,-0.0 0.674 73.8 60.8 -55.4 -23.2 27.0 -8.4 27.3 89 90 A W T 3 S+ 0 0 4 -3,-0.1 2,-0.3 1,-0.1 -1,-0.3 0.408 108.7 41.1 -87.7 -2.4 30.2 -6.3 27.4 90 91 A R < - 0 0 9 -3,-2.2 3,-0.1 3,-0.1 -1,-0.1 -0.997 53.9-158.8-151.3 147.3 31.0 -7.2 31.1 91 92 A D S S+ 0 0 123 -2,-0.3 -3,-0.1 1,-0.1 -1,-0.1 0.340 80.4 76.5-103.6 3.5 30.8 -10.1 33.5 92 93 A D S S+ 0 0 104 -5,-0.1 2,-0.3 102,-0.1 -1,-0.1 0.646 90.8 44.7 -98.7 -18.6 30.8 -8.2 36.8 93 94 A V - 0 0 37 -6,-0.2 -3,-0.1 -3,-0.1 3,-0.1 -0.905 64.6-144.7-120.9 156.5 27.2 -6.9 37.0 94 95 A L S S+ 0 0 37 -2,-0.3 2,-0.3 1,-0.3 268,-0.2 0.855 81.3 8.5 -84.2 -39.9 23.9 -8.8 36.3 95 96 A L S S- 0 0 18 -9,-0.2 2,-0.4 31,-0.1 -1,-0.3 -0.973 84.6 -93.3-142.3 151.6 21.9 -5.9 34.8 96 97 A V + 0 0 0 -11,-2.6 30,-3.0 -2,-0.3 3,-0.1 -0.572 41.9 171.9 -64.7 118.2 22.5 -2.3 33.7 97 98 A G + 0 0 5 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.458 64.5 13.3-108.1 -8.0 21.6 -0.2 36.7 98 99 A A S > S- 0 0 10 26,-0.1 3,-1.4 1,-0.1 4,-0.4 -0.972 78.3-106.5-162.0 157.5 22.8 3.2 35.4 99 100 A S G > S+ 0 0 0 -2,-0.3 3,-1.7 1,-0.3 4,-0.3 0.853 115.0 63.0 -57.6 -36.8 23.9 4.8 32.0 100 101 A I G > S+ 0 0 1 1,-0.3 3,-1.7 148,-0.2 -1,-0.3 0.725 86.2 73.2 -62.4 -23.2 27.6 4.8 33.1 101 102 A M G X S+ 0 0 28 -3,-1.4 3,-0.9 1,-0.3 -1,-0.3 0.746 85.4 67.1 -65.9 -20.6 27.5 1.0 33.2 102 103 A D G < S+ 0 0 5 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.748 105.7 41.8 -60.3 -27.3 27.4 1.0 29.4 103 104 A F G < >S+ 0 0 1 -3,-1.7 5,-2.0 -4,-0.3 -1,-0.2 0.120 93.8 133.2-118.3 16.5 30.9 2.5 29.5 104 105 A Q T < 5 - 0 0 2 -3,-0.9 -15,-0.1 3,-0.2 2,-0.1 -0.932 68.8 -6.5-117.6 146.0 32.6 0.4 32.2 105 106 A P T >5S+ 0 0 55 0, 0.0 4,-1.9 0, 0.0 6,-0.2 -0.960 133.4 40.2 -84.2 -14.6 35.1 -1.1 32.4 106 107 A W H >>S+ 0 0 36 1,-0.2 6,-2.4 2,-0.2 5,-1.6 0.831 115.1 42.3 -72.9 -44.9 36.4 -0.6 28.9 107 108 A V H >45S+ 0 0 7 4,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.935 115.7 49.7 -68.3 -44.9 35.5 3.0 27.9 108 109 A I H 34 + 0 0 18 -2,-0.4 3,-1.5 1,-0.1 4,-0.2 0.454 68.1 93.0-102.9 -3.9 16.1 -4.6 42.6 129 130 A T T 3 S+ 0 0 87 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.739 95.8 35.2 -63.9 -24.5 17.4 -2.8 45.7 130 131 A D T >> S+ 0 0 41 11,-0.2 3,-0.8 -3,-0.2 4,-0.6 0.025 79.1 122.6-116.5 27.4 14.1 -0.9 46.1 131 132 A I G X4 S+ 0 0 0 -3,-1.5 3,-0.9 1,-0.3 -1,-0.1 0.838 73.1 52.3 -63.6 -37.8 11.7 -3.7 44.9 132 133 A D G 34 S+ 0 0 23 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.722 104.3 60.2 -70.4 -22.1 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288 B D >> - 0 0 83 -2,-0.3 3,-1.2 1,-0.2 4,-0.6 -0.318 43.5-147.7 -45.6 113.2 -23.0 39.7 23.1 1034 289 B E H 3> S+ 0 0 104 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.750 92.4 71.5 -64.1 -25.3 -19.8 38.1 21.8 1035 290 B K H 3> S+ 0 0 133 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.859 90.4 62.1 -55.5 -38.3 -21.7 36.7 18.8 1036 291 B I H <> S+ 0 0 8 -3,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.946 110.7 34.6 -53.9 -56.3 -21.9 40.3 17.5 1037 292 B L H X S+ 0 0 9 -4,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.841 118.0 53.3 -71.9 -36.2 -18.1 40.8 17.1 1038 293 B M H X S+ 0 0 35 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.966 114.3 40.7 -60.8 -54.7 -17.5 37.2 16.1 1039 294 B E H X S+ 0 0 42 -4,-2.9 4,-3.3 2,-0.2 5,-0.3 0.871 112.8 55.5 -64.2 -39.6 -20.1 37.3 13.3 1040 295 B N H X S+ 0 0 2 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.953 110.6 45.4 -54.7 -51.4 -19.0 40.8 12.3 1041 296 B S H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.922 115.6 46.6 -58.8 -47.8 -15.4 39.6 11.9 1042 297 B R H >< S+ 0 0 56 -4,-2.5 3,-1.0 2,-0.2 4,-0.4 0.968 116.9 42.2 -58.9 -56.7 -16.5 36.5 10.0 1043 298 B L H >< S+ 0 0 14 -4,-3.3 3,-1.4 1,-0.3 -2,-0.2 0.837 109.6 58.7 -61.6 -34.8 -18.9 38.3 7.6 1044 299 B A H >< S+ 0 0 0 -4,-2.7 3,-1.9 -5,-0.3 -1,-0.3 0.707 87.8 74.4 -68.4 -21.7 -16.3 41.1 7.2 1045 300 B G T << S+ 0 0 11 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 0.823 105.9 38.1 -53.2 -30.1 -13.9 38.5 5.9 1046 301 B M T < S+ 0 0 72 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.3 0.146 116.7 70.7-106.6 11.3 -16.2 38.8 2.9 1047 302 B F < - 0 0 48 -3,-1.9 2,-0.4 -164,-0.1 8,-0.0 -0.971 51.4-172.0-133.6 149.8 -16.6 42.6 3.2 1048 303 B D - 0 0 39 -2,-0.3 3,-0.3 3,-0.1 6,-0.2 -0.999 11.6-161.5-136.3 135.5 -14.7 45.9 2.7 1049 304 B I S S+ 0 0 3 -2,-0.4 4,-0.2 1,-0.2 6,-0.1 0.248 83.2 78.3-104.6 14.5 -15.8 49.4 3.7 1050 305 B E S S+ 0 0 22 2,-0.1 2,-0.8 1,-0.1 -1,-0.2 0.669 83.6 75.4 -82.3 -23.5 -13.3 51.3 1.5 1051 306 B D S > S- 0 0 93 -3,-0.3 3,-1.5 177,-0.1 4,-0.2 -0.845 105.2-115.5 -84.5 111.3 -15.8 50.4 -1.2 1052 307 B L T 3 S+ 0 0 100 -2,-0.8 -2,-0.1 1,-0.2 -1,-0.0 -0.107 90.2 19.7 -57.4 141.7 -18.5 52.9 -0.3 1053 308 B G T 3> S+ 0 0 20 -4,-0.2 4,-0.8 1,-0.0 -1,-0.2 0.283 92.1 104.5 87.8 -9.7 -22.0 51.7 0.9 1054 309 B D H <> + 0 0 44 -3,-1.5 4,-2.8 1,-0.2 5,-0.2 0.798 66.4 66.1 -75.8 -31.3 -20.7 48.2 1.9 1055 310 B L H > S+ 0 0 31 -4,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.915 99.7 54.3 -54.2 -44.2 -20.7 48.9 5.7 1056 311 B R H > S+ 0 0 138 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.862 110.9 44.7 -57.6 -40.8 -24.5 49.1 5.5 1057 312 B Y H X S+ 0 0 107 -4,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.910 112.6 50.1 -74.9 -43.1 -24.7 45.7 3.8 1058 313 B L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.933 112.0 50.0 -52.7 -48.6 -22.3 44.1 6.2 1059 314 B R H X S+ 0 0 12 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.882 107.8 51.9 -62.5 -42.6 -24.3 45.5 9.1 1060 315 B E H X S+ 0 0 70 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.886 111.3 48.8 -59.3 -39.2 -27.6 44.2 7.6 1061 316 B Q H X S+ 0 0 98 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.915 113.7 44.8 -67.0 -45.1 -26.0 40.7 7.4 1062 317 B V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.927 109.7 55.8 -64.2 -47.6 -24.6 40.8 11.0 1063 318 B A H X>S+ 0 0 0 -4,-2.9 5,-3.0 1,-0.2 4,-1.6 0.891 112.1 42.9 -51.4 -45.2 -27.9 42.1 12.3 1064 319 B K H <5S+ 0 0 135 -4,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.913 112.7 50.8 -73.1 -43.9 -29.8 39.2 10.8 1065 320 B R H <5S+ 0 0 110 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.906 118.9 38.8 -56.0 -44.6 -27.3 36.5 11.8 1066 321 B V H <5S- 0 0 30 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.767 113.8-124.0 -77.0 -26.5 -27.4 37.8 15.4 1067 322 B G T <5 + 0 0 59 -4,-1.6 2,-0.3 -5,-0.3 -3,-0.2 0.872 68.7 109.4 82.5 42.3 -31.1 38.4 15.2 1068 323 B I S - 0 0 59 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.480 35.9-116.5 -78.8 155.4 -32.1 45.5 14.3 1070 325 B V H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.808 117.4 54.7 -60.5 -30.3 -29.3 47.4 12.6 1071 326 B E H > S+ 0 0 131 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.904 108.6 46.3 -69.2 -45.0 -29.9 50.3 15.1 1072 327 B E H > S+ 0 0 107 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.860 114.0 50.5 -62.6 -39.3 -29.5 47.9 18.1 1073 328 B L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.928 110.4 47.9 -64.4 -49.3 -26.3 46.5 16.4 1074 329 B E H X S+ 0 0 78 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.934 111.2 51.7 -56.5 -48.8 -24.9 50.0 15.8 1075 330 B K H < S+ 0 0 173 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.877 116.7 40.2 -55.5 -42.4 -25.6 51.0 19.5 1076 331 B A H < S+ 0 0 26 -4,-1.8 4,-0.4 -5,-0.1 -2,-0.2 0.960 121.5 37.4 -72.3 -53.9 -23.8 47.8 20.8 1077 332 B I H >X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 3,-1.0 0.789 96.6 79.1 -74.2 -32.1 -20.8 47.6 18.5 1078 333 B R H 3X S+ 0 0 57 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.841 89.0 53.0 -54.5 -47.2 -19.9 51.3 18.0 1079 334 B P H 3> S+ 0 0 29 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.875 111.5 49.3 -56.0 -34.9 -18.1 51.8 21.4 1080 335 B Y H <> S+ 0 0 14 -3,-1.0 4,-2.8 -4,-0.4 -2,-0.2 0.901 108.3 52.0 -68.6 -43.2 -15.9 48.8 20.5 1081 336 B E H X S+ 0 0 5 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.876 111.3 48.6 -57.6 -41.4 -15.1 50.1 17.0 1082 337 B L H X S+ 0 0 4 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.927 112.7 46.9 -66.1 -46.8 -14.1 53.4 18.5 1083 338 B I H X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.915 111.2 50.8 -63.2 -45.9 -11.8 51.7 21.1 1084 339 B Y H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.889 111.6 48.7 -57.5 -43.4 -10.2 49.4 18.6 1085 340 B A H X S+ 0 0 2 -4,-1.8 4,-3.2 2,-0.2 5,-0.2 0.914 112.4 47.5 -64.5 -45.9 -9.4 52.4 16.3 1086 341 B I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.927 112.6 50.2 -59.9 -46.9 -7.9 54.5 19.2 1087 342 B A H X S+ 0 0 0 -4,-2.8 4,-1.0 2,-0.2 -2,-0.2 0.938 117.0 40.2 -57.4 -51.1 -5.8 51.4 20.3 1088 343 B D H >X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 3,-0.6 0.947 115.1 50.6 -60.8 -52.5 -4.5 50.9 16.7 1089 344 B H H 3X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.3 -2,-0.2 0.868 108.8 50.9 -60.6 -40.0 -4.0 54.6 15.9 1090 345 B T H 3X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.3 0.760 108.7 52.9 -69.9 -26.3 -2.0 55.3 19.0 1091 346 B K H S+ 0 0 0 -4,-2.9 5,-2.8 2,-0.2 4,-0.2 0.941 116.8 40.4 -59.9 -50.0 5.9 57.0 13.6 1097 352 B L H ><5S+ 0 0 0 -4,-3.1 3,-0.9 1,-0.2 -1,-0.2 0.865 114.4 52.2 -71.4 -36.4 6.9 59.6 16.2 1098 353 B A H 3<5S+ 0 0 3 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.2 0.851 110.1 51.5 -61.7 -33.7 9.7 57.4 17.7 1099 354 B D T 3<5S- 0 0 20 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.395 132.0 -86.5 -91.4 0.1 11.1 56.9 14.2 1100 355 B G T < 5S+ 0 0 6 -3,-0.9 2,-0.3 1,-0.3 -3,-0.2 0.503 72.1 148.7 115.3 5.9 11.2 60.6 13.4 1101 356 B V < - 0 0 3 -5,-2.8 -1,-0.3 -6,-0.2 268,-0.0 -0.553 29.5-158.8 -71.5 131.7 7.8 61.7 12.1 1102 357 B V - 0 0 12 -2,-0.3 11,-0.1 267,-0.1 10,-0.1 -0.970 24.9-117.0-112.0 115.3 7.0 65.3 13.0 1103 358 B P + 0 0 6 0, 0.0 2,-0.2 0, 0.0 7,-0.2 -0.279 60.3 125.4 -55.4 136.5 3.3 66.1 12.9 1104 359 B S S S- 0 0 6 5,-1.1 9,-0.3 2,-0.1 377,-0.1 -0.841 73.4 -82.6-166.4-166.8 2.6 68.7 10.2 1105 360 B N S S+ 0 0 75 375,-0.5 2,-0.3 -2,-0.2 376,-0.1 0.229 99.5 73.9-101.5 10.9 0.5 69.4 7.1 1106 361 B V S >> S- 0 0 55 374,-0.2 4,-1.5 133,-0.0 3,-1.1 -0.953 96.2 -38.3-132.1 147.2 2.8 67.5 4.7 1107 362 B X H 3> S- 0 0 116 131,-0.6 4,-1.2 -2,-0.3 3,-0.2 -0.072 122.9 -8.4 47.2-127.9 3.8 63.9 3.9 1108 363 B A H 3> S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.796 134.2 62.0 -74.0 -26.7 4.1 61.6 6.8 1109 364 B G H <> S+ 0 0 7 -3,-1.1 4,-2.4 1,-0.2 -5,-1.1 0.882 102.7 51.3 -60.5 -39.9 3.6 64.5 9.3 1110 365 B Y H X S+ 0 0 12 -4,-1.5 4,-2.4 -3,-0.2 -1,-0.2 0.864 110.1 49.4 -61.1 -40.4 0.2 65.0 7.7 1111 366 B L H X S+ 0 0 7 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.901 109.8 50.0 -69.6 -41.6 -0.6 61.3 8.3 1112 367 B A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.938 111.5 49.4 -59.5 -46.2 0.5 61.5 11.9 1113 368 B R H X S+ 0 0 13 -4,-2.4 4,-2.6 -9,-0.3 5,-0.2 0.892 108.3 54.0 -59.2 -45.3 -1.7 64.6 12.3 1114 369 B L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.938 109.3 47.6 -50.6 -53.6 -4.6 62.7 10.7 1115 370 B L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.869 112.2 50.1 -59.3 -41.8 -4.2 59.8 13.2 1116 371 B I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.943 114.3 42.8 -62.8 -50.3 -4.0 62.2 16.2 1117 372 B R H X S+ 0 0 19 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.899 114.2 50.6 -68.2 -42.3 -7.1 64.2 15.2 1118 373 B K H X S+ 0 0 9 -4,-2.8 4,-1.6 -5,-0.2 -1,-0.2 0.918 112.3 47.9 -57.8 -45.9 -9.2 61.1 14.3 1119 374 B S H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.864 109.8 51.6 -66.3 -38.8 -8.3 59.5 17.6 1120 375 B I H X S+ 0 0 21 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.924 110.7 49.0 -62.2 -44.9 -9.2 62.6 19.7 1121 376 B R H X S+ 0 0 15 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.802 109.4 52.3 -67.1 -30.0 -12.6 62.7 17.9 1122 377 B H H X S+ 0 0 18 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.920 107.0 52.1 -69.2 -45.2 -13.2 59.0 18.6 1123 378 B L H <>S+ 0 0 4 -4,-2.2 5,-2.4 1,-0.2 4,-0.4 0.873 109.8 50.9 -55.9 -40.0 -12.4 59.6 22.3 1124 379 B R H ><5S+ 0 0 159 -4,-1.8 3,-1.3 2,-0.2 -1,-0.2 0.930 109.7 47.9 -62.7 -48.2 -15.0 62.4 22.2 1125 380 B E H 3<5S+ 0 0 95 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.822 108.8 56.2 -61.7 -31.1 -17.6 60.2 20.6 1126 381 B L T 3<5S- 0 0 20 -4,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.618 112.6-123.3 -74.4 -14.1 -16.7 57.6 23.3 1127 382 B G T < 5 + 0 0 60 -3,-1.3 2,-0.8 -4,-0.4 -3,-0.2 0.628 65.7 141.9 77.6 15.8 -17.5 60.2 26.0 1128 383 B L < - 0 0 20 -5,-2.4 2,-1.3 -6,-0.2 -1,-0.2 -0.803 39.7-161.5-100.4 105.1 -14.0 59.7 27.3 1129 384 B E + 0 0 196 -2,-0.8 -5,-0.1 -3,-0.1 -1,-0.0 -0.695 44.6 123.2 -86.7 89.9 -12.4 62.8 28.5 1130 385 B V - 0 0 18 -2,-1.3 2,-0.1 -10,-0.1 -2,-0.1 -0.990 65.3-104.6-148.6 137.7 -8.7 61.8 28.5 1131 386 B P >> - 0 0 58 0, 0.0 3,-1.3 0, 0.0 4,-0.6 -0.447 24.8-131.1 -63.2 139.4 -5.6 63.2 26.8 1132 387 B L H >> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 3,-0.8 0.789 104.9 68.6 -59.9 -30.1 -4.4 61.2 23.8 1133 388 B S H 3> S+ 0 0 12 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.782 93.3 58.2 -59.8 -30.6 -0.9 61.2 25.3 1134 389 B E H <> S+ 0 0 96 -3,-1.3 4,-0.6 2,-0.2 -1,-0.3 0.814 107.2 46.5 -68.6 -32.6 -2.1 59.0 28.1 1135 390 B I H XX S+ 0 0 0 -3,-0.8 4,-1.0 -4,-0.6 3,-0.8 0.914 110.6 51.4 -76.0 -44.3 -3.1 56.3 25.6 1136 391 B V H >X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 3,-0.6 0.871 104.2 59.9 -56.9 -38.4 0.1 56.6 23.6 1137 392 B A H 3X S+ 0 0 27 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.763 96.2 60.4 -64.0 -28.0 1.9 56.1 27.0 1138 393 B L H < + 0 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0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.941 113.6 43.8 -57.2 -53.0 6.7 61.6 21.6 1158 413 B L H X S+ 0 0 30 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.823 112.1 52.9 -66.7 -33.1 4.3 62.6 24.4 1159 414 B E H X S+ 0 0 52 -4,-1.9 4,-3.0 -5,-0.3 5,-0.2 0.935 108.1 51.5 -67.4 -44.8 5.1 66.4 24.0 1160 415 B M H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.907 112.1 45.9 -54.6 -48.1 4.3 66.1 20.2 1161 416 B I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.930 114.1 48.7 -59.5 -48.2 1.0 64.5 21.0 1162 417 B E H X S+ 0 0 107 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.887 112.3 47.8 -63.0 -41.0 0.2 67.0 23.7 1163 418 B L H X S+ 0 0 45 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.905 112.4 49.8 -65.0 -43.0 1.1 70.0 21.4 1164 419 B E H X S+ 0 0 18 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.840 112.5 47.5 -63.4 -36.1 -1.0 68.5 18.6 1165 420 B E H X S+ 0 0 50 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.944 113.2 47.0 -70.7 -49.8 -4.0 68.0 21.0 1166 421 B K H X S+ 0 0 138 -4,-2.6 4,-1.0 1,-0.2 3,-0.2 0.889 114.8 47.5 -55.6 -44.4 -3.7 71.6 22.4 1167 422 B X H X 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