==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 04-MAY-02 1IWE . COMPND 2 MOLECULE: ADENYLOSUCCINATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR C.V.IANCU,T.BORZA,H.J.FROMM,R.B.HONZATKO . 861 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30753.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 607 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 95 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 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 . 4 0.5 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 . 1 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 . 66 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 27.8 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 2 1 1 2 0 4 4 2 2 0 2 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 5 5 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 PARALLEL BRIDGES PER LADDER . 6 2 4 1 1 0 0 2 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 4 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 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 28 A A 0 0 144 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -83.4 30.5 -19.2 14.0 2 29 A T - 0 0 58 1,-0.3 2,-0.2 260,-0.1 214,-0.0 0.588 360.0-137.3 -78.8 -10.2 32.1 -16.9 16.6 3 30 A G - 0 0 32 214,-0.1 -1,-0.3 2,-0.1 214,-0.2 -0.521 48.1 -16.3 89.0-158.9 35.0 -19.3 16.8 4 31 A S - 0 0 20 212,-2.8 2,-0.5 -2,-0.2 218,-0.1 -0.543 62.6-135.1 -82.2 149.9 36.8 -20.4 20.0 5 32 A R - 0 0 115 -2,-0.2 218,-0.3 259,-0.1 259,-0.3 -0.908 19.9-127.4-107.2 132.5 36.2 -18.4 23.2 6 33 A V E -a 264 0A 0 257,-3.2 259,-3.1 -2,-0.5 2,-0.5 -0.410 14.1-128.4 -77.2 153.4 39.3 -17.6 25.4 7 34 A T E - b 0 224A 39 216,-2.9 218,-3.3 258,-0.2 2,-0.4 -0.891 27.3-156.8-101.8 133.2 39.4 -18.5 29.1 8 35 A V E -ab 267 225A 0 258,-3.4 260,-3.9 -2,-0.5 2,-0.5 -0.914 15.2-163.5-119.1 140.2 40.4 -15.5 31.3 9 36 A V E -ab 268 226A 0 216,-2.2 218,-2.5 -2,-0.4 2,-0.3 -0.977 22.1-178.7-119.5 116.1 42.0 -15.3 34.7 10 37 A L E -a 269 0A 1 258,-3.5 260,-3.5 -2,-0.5 2,-0.4 -0.876 30.5-116.3-120.5 150.8 41.7 -11.9 36.4 11 38 A G E -a 270 0A 0 -2,-0.3 220,-2.2 237,-0.3 260,-0.1 -0.668 22.4-169.6 -80.9 131.5 42.8 -10.3 39.7 12 39 A A S S+ 0 0 0 258,-2.0 311,-0.3 -2,-0.4 -1,-0.1 0.431 70.1 26.9-102.1 -1.4 39.8 -9.4 41.8 13 40 A Q S S- 0 0 2 257,-0.3 219,-2.1 216,-0.2 220,-0.2 0.181 120.7 -46.7-124.7-117.6 41.6 -7.3 44.5 14 41 A W S S- 0 0 3 1,-0.5 264,-0.4 262,-0.5 216,-0.1 -0.105 92.7 -90.7-117.3 33.4 44.8 -5.3 44.5 15 42 A G S S+ 0 0 2 214,-0.2 -1,-0.5 262,-0.1 261,-0.2 -0.175 98.6 83.3 88.3 177.1 46.9 -8.0 42.8 16 43 A D + 0 0 40 213,-0.1 214,-0.1 1,-0.1 -1,-0.1 0.777 51.3 138.1 56.7 30.9 49.0 -10.9 44.1 17 44 A E S S- 0 0 1 253,-0.1 318,-0.2 255,-0.1 256,-0.1 0.617 81.2 -94.3 -80.5 -10.7 45.9 -13.1 44.4 18 45 A G S > S+ 0 0 29 252,-0.1 4,-1.2 254,-0.1 3,-0.1 0.810 70.7 152.1 99.4 41.1 47.7 -16.1 42.9 19 46 A K H > S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.873 70.3 59.4 -69.4 -39.7 46.8 -15.8 39.3 20 47 A G H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.831 103.9 53.0 -59.2 -31.1 49.9 -17.5 38.1 21 48 A K H > S+ 0 0 29 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.881 111.5 43.3 -72.5 -39.3 48.9 -20.5 40.1 22 49 A V H X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.881 117.3 48.1 -72.3 -37.3 45.4 -20.7 38.5 23 50 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.917 108.3 52.1 -68.5 -46.8 46.9 -20.1 35.1 24 51 A D H X S+ 0 0 6 -4,-2.6 4,-0.6 -5,-0.2 -1,-0.2 0.884 113.2 47.6 -57.1 -37.8 49.7 -22.7 35.4 25 52 A L H >< S+ 0 0 38 -4,-1.3 3,-1.0 1,-0.2 -2,-0.2 0.943 114.7 43.0 -68.2 -50.7 47.0 -25.2 36.4 26 53 A L H >< S+ 0 0 36 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.735 107.1 66.9 -68.6 -19.9 44.7 -24.2 33.5 27 54 A A H >< + 0 0 3 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.655 69.4 92.2 -76.3 -18.8 47.8 -24.2 31.2 28 55 A T T << S+ 0 0 76 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.1 0.756 106.7 19.3 -49.4 -29.8 48.6 -27.9 31.3 29 56 A D T < S+ 0 0 77 -3,-0.7 -1,-0.3 -4,-0.2 2,-0.3 -0.025 96.8 122.1-132.6 32.9 46.5 -28.5 28.2 30 57 A A < - 0 0 3 -3,-2.0 193,-0.2 1,-0.1 3,-0.1 -0.673 47.9-156.0 -94.3 151.0 46.2 -25.0 26.7 31 58 A D S S+ 0 0 42 191,-2.7 37,-2.7 1,-0.3 2,-0.4 0.817 84.2 23.8 -91.4 -37.4 47.4 -24.3 23.1 32 59 A I E -cd 68 223A 7 190,-1.8 192,-3.5 35,-0.2 2,-0.5 -0.997 60.8-174.4-133.3 130.6 48.0 -20.6 23.7 33 60 A V E -cd 69 224A 0 35,-2.2 37,-2.6 -2,-0.4 2,-0.3 -0.990 24.8-170.7-123.4 118.6 48.6 -18.8 27.0 34 61 A S E -cd 70 225A 0 190,-3.4 192,-3.4 -2,-0.5 2,-0.4 -0.767 25.3-132.1-122.4 163.0 48.7 -15.1 26.6 35 62 A R E -cd 71 226A 9 35,-2.7 37,-2.1 -2,-0.3 40,-0.2 -0.875 19.5-173.5-108.7 139.5 49.6 -11.8 28.3 36 63 A C - 0 0 7 190,-1.0 38,-0.5 -2,-0.4 2,-0.2 0.927 52.0 -19.4 -90.8 -77.1 47.1 -8.9 28.2 37 64 A Q S S+ 0 0 11 37,-0.1 -1,-0.3 2,-0.1 38,-0.2 -0.716 94.7 48.5-131.9-177.0 48.2 -5.5 29.5 38 65 A G B -j 75 0B 0 36,-0.5 38,-1.6 -2,-0.2 2,-0.2 -0.149 65.0-124.6 71.8-171.6 50.8 -4.3 31.9 39 66 A G > - 0 0 0 36,-0.2 3,-0.9 38,-0.1 38,-0.1 -0.385 57.7 -41.4-142.8-138.3 54.5 -5.2 31.8 40 67 A N T 3 S+ 0 0 10 36,-0.3 17,-0.1 1,-0.2 37,-0.1 0.188 109.1 92.1 -89.2 17.7 57.0 -6.6 34.3 41 68 A N T 3 S+ 0 0 18 15,-0.1 -1,-0.2 97,-0.1 264,-0.2 0.787 77.8 80.2 -74.4 -24.5 55.6 -4.5 37.1 42 69 A A < - 0 0 7 -3,-0.9 2,-0.3 14,-0.2 186,-0.0 -0.492 68.4-172.3 -76.7 147.0 53.6 -7.7 37.5 43 70 A G + 0 0 8 -2,-0.2 261,-0.4 14,-0.1 2,-0.3 -0.874 7.1 175.3-151.4 115.3 55.3 -10.6 39.3 44 71 A H E -K 55 0C 28 11,-3.1 11,-2.5 -2,-0.3 2,-0.5 -0.771 19.3-145.1-116.6 160.5 54.1 -14.1 39.8 45 72 A T E -K 54 0C 47 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.973 12.0-163.4-129.4 116.0 55.7 -17.2 41.2 46 73 A V E -K 53 0C 2 7,-2.8 7,-2.5 -2,-0.5 2,-0.7 -0.864 2.2-160.8-101.1 128.7 54.9 -20.6 39.7 47 74 A V E +K 52 0C 11 -2,-0.5 376,-1.0 374,-0.4 2,-0.5 -0.892 20.7 162.1-113.3 103.8 55.7 -23.8 41.8 48 75 A V - 0 0 12 3,-2.3 3,-0.1 -2,-0.7 -2,-0.1 -0.973 69.6 -10.0-125.6 118.9 56.0 -26.9 39.7 49 76 A D S S- 0 0 149 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.953 128.7 -52.5 62.0 53.9 57.7 -30.0 41.0 50 77 A G S S+ 0 0 82 1,-0.2 2,-0.4 -3,-0.2 -1,-0.2 0.783 117.1 123.2 54.0 25.8 59.1 -28.4 44.1 51 78 A K - 0 0 87 -3,-0.1 -3,-2.3 2,-0.0 2,-0.5 -0.965 51.3-149.7-122.0 134.9 60.5 -25.9 41.6 52 79 A E E -K 47 0C 95 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.898 11.3-174.7-112.3 132.0 59.9 -22.1 41.8 53 80 A Y E -K 46 0C 14 -7,-2.5 -7,-2.8 -2,-0.5 2,-0.7 -0.976 14.4-149.7-124.2 131.4 59.7 -19.7 38.8 54 81 A D E -K 45 0C 50 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.885 21.9-176.0-101.7 115.0 59.4 -15.9 39.0 55 82 A F E +K 44 0C 2 -11,-2.5 -11,-3.1 -2,-0.7 -35,-0.1 -0.847 22.9 152.5-112.8 149.4 57.6 -14.5 36.0 56 83 A H S S+ 0 0 32 -2,-0.3 -14,-0.2 -13,-0.2 -1,-0.1 0.504 86.0 9.3-135.1 -56.8 56.9 -10.9 35.1 57 84 A L S S+ 0 0 0 -17,-0.1 -2,-0.1 24,-0.1 25,-0.1 0.700 108.5 88.9-102.2 -27.5 56.5 -10.5 31.3 58 85 A L S S- 0 0 3 24,-0.1 -24,-0.1 1,-0.1 4,-0.0 -0.549 86.0-116.1 -75.3 129.4 56.5 -14.2 30.3 59 86 A P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-0.1 -0.420 28.9-117.8 -61.1 143.9 53.0 -15.7 30.3 60 87 A S G > S+ 0 0 0 1,-0.3 3,-1.3 2,-0.1 4,-0.1 0.748 109.7 71.0 -56.4 -26.4 53.0 -18.4 33.0 61 88 A G G > + 0 0 2 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.361 66.5 97.6 -74.0 7.2 52.4 -21.1 30.5 62 89 A I G < S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.1 0.753 73.8 66.8 -66.0 -21.2 55.9 -20.6 29.2 63 90 A I G < S+ 0 0 31 -3,-1.3 2,-0.8 -4,-0.1 -1,-0.3 0.784 83.3 83.5 -68.6 -27.7 56.7 -23.6 31.4 64 91 A N X - 0 0 29 -3,-1.3 3,-1.1 1,-0.2 -1,-0.1 -0.699 64.1-166.1 -82.2 109.7 54.5 -25.8 29.1 65 92 A T T 3 S+ 0 0 82 -2,-0.8 -1,-0.2 1,-0.2 -2,-0.0 0.704 87.7 55.4 -68.0 -20.0 56.8 -26.8 26.2 66 93 A K T 3 S+ 0 0 135 -38,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.538 100.0 74.5 -90.2 -7.5 53.7 -28.0 24.2 67 94 A A S < S- 0 0 1 -3,-1.1 2,-0.5 -6,-0.3 -35,-0.2 -0.758 77.6-126.8-108.2 152.4 52.0 -24.6 24.4 68 95 A V E -c 32 0A 45 -37,-2.7 -35,-2.2 -2,-0.3 2,-0.4 -0.856 20.0-146.0 -99.1 125.9 52.7 -21.3 22.7 69 96 A S E -ce 33 101A 0 31,-3.0 33,-3.0 -2,-0.5 2,-0.4 -0.775 18.8-164.2 -91.2 134.8 53.2 -18.3 25.0 70 97 A F E -ce 34 102A 0 -37,-2.6 -35,-2.7 -2,-0.4 2,-0.6 -0.970 17.4-157.6-129.5 135.4 51.9 -15.0 23.6 71 98 A I E -ce 35 103A 0 31,-2.6 33,-3.0 -2,-0.4 36,-0.2 -0.932 26.3-143.8-108.8 116.5 52.5 -11.3 24.4 72 99 A G > - 0 0 0 -37,-2.1 3,-1.2 -2,-0.6 185,-0.2 -0.139 24.4-100.9 -76.8 173.0 49.7 -9.1 23.2 73 100 A N T 3 S+ 0 0 1 183,-0.5 35,-0.5 1,-0.2 184,-0.2 0.703 114.6 64.7 -64.3 -24.9 49.6 -5.5 21.8 74 101 A G T 3 S+ 0 0 0 182,-1.9 -36,-0.5 -38,-0.5 -1,-0.2 0.647 84.7 95.2 -76.6 -13.1 48.4 -4.0 25.1 75 102 A V B < -j 38 0B 0 -3,-1.2 33,-1.2 181,-0.3 2,-0.5 -0.437 67.0-142.9 -79.2 150.9 51.6 -5.0 26.9 76 103 A V E -l 108 0D 1 -38,-1.6 2,-0.4 31,-0.2 -36,-0.3 -0.978 22.0-152.2-114.8 124.4 54.6 -2.7 27.3 77 104 A I E -l 109 0D 0 31,-2.9 33,-3.6 -2,-0.5 2,-0.8 -0.849 17.8-161.4-108.6 129.9 57.9 -4.5 27.0 78 105 A H > - 0 0 11 -2,-0.4 4,-2.8 31,-0.2 33,-0.1 -0.899 15.6-159.1-105.2 102.8 61.3 -3.7 28.6 79 106 A L H > S+ 0 0 3 -2,-0.8 4,-2.0 31,-0.4 5,-0.3 0.878 87.3 48.9 -49.3 -54.3 63.7 -5.7 26.4 80 107 A P H > S+ 0 0 38 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.943 116.5 46.4 -55.9 -42.3 66.7 -5.8 28.8 81 108 A G H > S+ 0 0 8 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.902 107.2 57.4 -64.9 -42.1 64.2 -7.0 31.5 82 109 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.965 113.5 37.3 -52.5 -60.0 62.5 -9.5 29.2 83 110 A F H X S+ 0 0 5 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.796 113.6 58.3 -64.3 -29.3 65.7 -11.4 28.5 84 111 A E H X S+ 0 0 116 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.932 108.6 46.0 -64.1 -46.1 66.9 -10.9 32.0 85 112 A E H X S+ 0 0 8 -4,-3.1 4,-1.5 2,-0.2 -2,-0.2 0.937 114.6 47.5 -61.0 -50.0 63.7 -12.6 33.2 86 113 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 3,-0.4 0.938 112.8 46.5 -58.7 -52.5 64.1 -15.5 30.7 87 114 A E H X S+ 0 0 82 -4,-2.9 4,-1.8 1,-0.3 -1,-0.2 0.871 107.5 58.2 -60.2 -37.4 67.8 -16.1 31.4 88 115 A K H < S+ 0 0 72 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.878 111.4 42.6 -59.6 -37.6 67.1 -16.0 35.2 89 116 A N H ><>S+ 0 0 1 -4,-1.5 5,-2.4 -3,-0.4 3,-0.6 0.675 102.9 65.7 -83.9 -19.4 64.6 -18.9 34.6 90 117 A E H ><5S+ 0 0 79 -4,-1.4 3,-2.9 1,-0.2 -2,-0.2 0.924 94.1 60.7 -66.4 -41.3 66.9 -20.8 32.2 91 118 A K T 3<5S+ 0 0 167 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.722 105.2 50.7 -56.9 -19.2 69.2 -21.3 35.1 92 119 A K T < 5S- 0 0 82 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.2 0.331 136.1 -81.6-101.6 5.9 66.3 -23.1 36.7 93 120 A G T < 5S+ 0 0 42 -3,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.282 76.9 146.5 116.2 -13.0 65.6 -25.4 33.7 94 121 A L < - 0 0 9 -5,-2.4 2,-0.3 -8,-0.1 -1,-0.3 -0.447 30.1-179.8 -60.3 118.2 63.6 -23.2 31.4 95 122 A K + 0 0 112 -2,-0.3 -1,-0.0 1,-0.1 -5,-0.0 -0.958 49.3 3.5-130.2 146.8 64.7 -24.4 28.0 96 123 A D S > S+ 0 0 84 -2,-0.3 3,-0.8 1,-0.1 4,-0.1 0.763 75.3 144.7 57.3 29.8 63.9 -23.6 24.3 97 124 A W G > + 0 0 1 1,-0.2 3,-2.4 2,-0.2 4,-0.3 0.893 62.2 61.0 -64.9 -41.1 61.6 -20.8 25.4 98 125 A E G 3 S+ 0 0 81 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.747 99.0 60.5 -58.8 -21.7 62.5 -18.5 22.5 99 126 A K G < S+ 0 0 167 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.474 112.3 35.7 -85.4 -2.9 61.1 -21.2 20.2 100 127 A R S < S+ 0 0 23 -3,-2.4 -31,-3.0 -4,-0.1 2,-0.5 0.155 94.7 96.9-134.8 19.6 57.6 -21.0 21.8 101 128 A L E -e 69 0A 4 -3,-0.5 2,-0.4 -4,-0.3 -31,-0.2 -0.950 48.4-172.1-114.8 127.3 57.2 -17.3 22.6 102 129 A I E -e 70 0A 17 -33,-3.0 -31,-2.6 -2,-0.5 2,-0.5 -0.961 4.8-160.8-120.0 137.2 55.3 -15.0 20.2 103 130 A I E -ef 71 205A 1 101,-2.7 103,-2.1 -2,-0.4 2,-0.2 -0.968 21.4-123.2-121.5 127.7 55.2 -11.2 20.5 104 131 A S E > - 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0 0 13 -42,-0.3 -1,-0.1 16,-0.1 -41,-0.1 0.665 25.6-154.0 -90.7 -17.1 24.3 1.1 -11.5 815 410 B K + 0 0 142 -40,-0.7 2,-0.3 -43,-0.4 -41,-0.2 0.921 54.1 108.7 42.5 58.3 24.4 4.5 -13.1 816 411 B A S S- 0 0 40 -43,-1.1 2,-0.7 -44,-0.1 -1,-0.2 -0.984 77.6 -99.0-159.9 152.4 21.1 5.6 -11.4 817 412 B D + 0 0 123 -2,-0.3 3,-0.3 1,-0.1 -47,-0.1 -0.657 34.4 173.1 -78.6 111.8 19.8 7.8 -8.7 818 413 B T > + 0 0 5 -2,-0.7 3,-1.4 1,-0.2 -1,-0.1 0.279 46.7 109.8-102.0 9.2 19.2 5.7 -5.5 819 414 B T T 3 S+ 0 0 68 1,-0.3 -1,-0.2 -49,-0.1 32,-0.1 0.777 81.2 44.2 -55.0 -33.8 18.4 8.8 -3.3 820 415 B G T 3 S+ 0 0 53 -3,-0.3 -1,-0.3 6,-0.1 -2,-0.1 0.478 83.3 126.1 -93.7 -2.3 14.7 7.8 -3.0 821 416 B A < + 0 0 7 -3,-1.4 30,-0.1 1,-0.1 3,-0.1 -0.260 19.3 158.1 -57.2 140.9 15.3 4.1 -2.4 822 417 B R + 0 0 107 1,-0.3 38,-0.4 35,-0.1 2,-0.3 0.364 60.1 51.4-142.7 -9.6 13.6 2.8 0.8 823 418 B K S >> S- 0 0 120 36,-0.1 3,-1.7 1,-0.1 4,-0.6 -0.939 83.0-118.5-130.8 153.5 13.3 -0.9 0.1 824 419 B W G >4 S+ 0 0 55 -2,-0.3 3,-0.8 36,-0.3 8,-0.1 0.838 117.0 60.0 -59.0 -31.4 15.9 -3.4 -1.0 825 420 B E G 34 S+ 0 0 123 1,-0.2 -1,-0.3 -3,-0.0 7,-0.0 0.644 93.3 64.4 -71.5 -16.8 13.8 -3.9 -4.1 826 421 B D G <4 S+ 0 0 88 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.743 83.7 90.6 -79.6 -22.7 14.1 -0.2 -5.0 827 422 B L S << S- 0 0 5 -3,-0.8 5,-0.1 -4,-0.6 -9,-0.0 -0.569 83.1-117.5 -77.2 129.8 17.9 -0.6 -5.6 828 423 B P >> - 0 0 31 0, 0.0 4,-2.3 0, 0.0 3,-0.7 -0.088 33.0 -95.9 -60.5 166.5 19.0 -1.5 -9.1 829 424 B P H 3> S+ 0 0 89 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.869 121.8 49.8 -49.8 -50.0 20.8 -4.8 -9.9 830 425 B Q H 3> S+ 0 0 69 2,-0.2 4,-1.1 1,-0.2 -16,-0.1 0.771 111.6 49.8 -66.8 -26.0 24.4 -3.4 -9.8 831 426 B A H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 3,-0.4 0.950 111.4 46.4 -76.0 -51.0 23.8 -1.6 -6.5 832 427 B Q H X S+ 0 0 35 -4,-2.3 4,-2.1 1,-0.3 -2,-0.2 0.884 112.0 53.9 -55.2 -38.0 22.3 -4.7 -4.8 833 428 B S H X S+ 0 0 65 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.3 0.847 107.1 50.5 -65.5 -34.9 25.3 -6.6 -6.3 834 429 B Y H X S+ 0 0 5 -4,-1.1 4,-1.7 -3,-0.4 -2,-0.2 0.882 108.1 52.0 -71.5 -38.4 27.6 -4.0 -4.7 835 430 B V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.904 111.2 48.3 -62.9 -40.8 25.9 -4.5 -1.3 836 431 B R H X S+ 0 0 107 -4,-2.1 4,-3.6 2,-0.2 5,-0.3 0.881 104.2 59.8 -66.1 -40.7 26.4 -8.3 -1.6 837 432 B F H X S+ 0 0 21 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.950 108.4 44.2 -53.2 -51.4 30.0 -7.9 -2.5 838 433 B V H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 6,-0.3 0.955 115.0 49.2 -59.0 -51.1 30.8 -6.1 0.7 839 434 B E H X>S+ 0 0 47 -4,-2.2 4,-2.1 1,-0.2 5,-0.7 0.937 114.7 44.0 -51.6 -55.4 28.7 -8.7 2.7 840 435 B N H <5S+ 0 0 114 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.930 115.8 45.2 -59.0 -51.2 30.4 -11.7 1.1 841 436 B H H <5S+ 0 0 71 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.728 119.4 40.9 -69.7 -22.4 34.0 -10.4 1.3 842 437 B M H <5S- 0 0 8 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.692 99.1-133.4 -95.6 -24.0 33.7 -9.2 4.9 843 438 B G T <5S+ 0 0 66 -4,-2.1 2,-0.4 -5,-0.3 -3,-0.2 0.619 71.9 109.4 80.2 11.6 31.7 -12.2 6.1 844 439 B V S S- 0 0 29 1,-0.1 3,-1.1 -376,-0.1 -3,-0.2 -0.114 85.8-118.4 -60.1 152.0 18.6 12.4 6.3 855 450 B R T 3 S+ 0 0 64 -376,-1.7 3,-0.2 1,-0.3 -1,-0.1 0.796 115.3 53.3 -58.6 -33.4 17.2 9.8 8.8 856 451 B E T 3 S+ 0 0 100 1,-0.2 2,-1.8 3,-0.0 -1,-0.3 0.667 84.3 88.7 -78.3 -16.4 14.6 8.7 6.2 857 452 B S S < S+ 0 0 10 -3,-1.1 -6,-2.4 -5,-0.1 -5,-0.6 -0.153 73.3 103.2 -77.2 46.2 17.3 8.1 3.6 858 453 B M E -B 850 0H 18 -2,-1.8 2,-0.4 -8,-0.2 -8,-0.2 -0.829 55.3-154.3-126.7 164.5 17.9 4.5 4.8 859 454 B I E -B 849 0H 1 -10,-0.8 -10,-2.0 -2,-0.3 2,-0.5 -0.960 10.7-154.5-139.7 116.1 17.0 1.0 3.8 860 455 B Q E -B 848 0H 117 -38,-0.4 -36,-0.3 -2,-0.4 -12,-0.2 -0.828 5.7-170.1 -93.7 127.4 16.8 -1.8 6.4 861 456 B L 0 0 44 -14,-2.5 -13,-0.1 -2,-0.5 -1,-0.1 0.534 360.0 360.0 -93.5 -7.5 17.4 -5.2 4.9 862 457 B F 0 0 128 -15,-0.6 -14,-0.1 0, 0.0 -15,-0.1 0.315 360.0 360.0 176.5 360.0 16.4 -7.3 7.9