==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER REDUCTASE(ACTING ON CH2) 28-JUL-92 1MRR . COMPND 2 MOLECULE: RIBONUCLEOTIDE REDUCTASE R1 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.EKLUND,P.NORDLUND . 680 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24353.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 532 78.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 2.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 22 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 396 58.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.2 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 2 0 1 2 0 2 0 2 0 0 0 3 0 2 0 0 0 0 0 0 1 3 2 3 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 A 0 0 98 0, 0.0 2,-0.2 0, 0.0 168,-0.1 0.000 360.0 360.0 360.0-147.4 87.6 141.3 86.6 2 2 A Y + 0 0 22 497,-0.1 2,-0.4 19,-0.1 501,-0.1 -0.373 360.0 178.6 -69.7 133.3 88.9 138.4 84.5 3 3 A T - 0 0 31 -2,-0.2 3,-0.3 94,-0.1 493,-0.1 -0.993 30.9-141.9-131.5 146.4 92.4 137.2 85.0 4 4 A T S S+ 0 0 0 -2,-0.4 2,-0.3 1,-0.3 426,-0.1 0.607 101.1 23.6 -77.2 -19.7 94.2 134.3 83.3 5 5 A F S S- 0 0 15 487,-0.1 2,-0.3 490,-0.0 -1,-0.3 -0.780 80.3-154.1-143.1 101.4 96.0 133.4 86.6 6 6 A S - 0 0 9 -3,-0.3 19,-0.1 -2,-0.3 -4,-0.0 -0.621 11.1-141.9 -74.9 138.6 94.3 134.5 89.7 7 7 A A + 0 0 58 -2,-0.3 2,-0.6 2,-0.1 -1,-0.1 0.133 65.0 103.1 -92.8 23.2 96.7 135.0 92.6 8 8 A T S S- 0 0 84 2,-0.0 2,-0.6 475,-0.0 -2,-0.1 -0.922 71.4-129.9-110.5 128.0 94.7 133.7 95.5 9 9 A K + 0 0 122 -2,-0.6 2,-0.3 473,-0.1 -2,-0.1 -0.655 45.9 172.4 -67.7 115.4 95.5 130.3 96.8 10 10 A N - 0 0 22 -2,-0.6 2,-1.1 11,-0.0 3,-0.1 -0.874 43.4-109.7-129.5 161.0 92.0 128.9 96.9 11 11 A D > - 0 0 72 -2,-0.3 3,-1.4 1,-0.2 4,-0.2 -0.797 27.0-166.7 -90.4 104.6 90.3 125.6 97.6 12 12 A Q G > S+ 0 0 9 -2,-1.1 3,-0.5 1,-0.3 -1,-0.2 0.674 83.9 66.5 -65.2 -17.4 89.1 124.7 94.1 13 13 A L G 3 S+ 0 0 57 1,-0.2 -1,-0.3 18,-0.1 88,-0.0 0.713 102.2 46.9 -77.2 -19.9 86.9 122.0 95.7 14 14 A K G < S+ 0 0 163 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.333 90.1 102.4-101.4 3.5 84.7 124.6 97.4 15 15 A E S < S- 0 0 31 -3,-0.5 2,-0.1 -4,-0.2 4,-0.1 -0.562 76.0-116.1 -77.1 152.3 84.3 126.9 94.3 16 16 A P - 0 0 31 0, 0.0 4,-0.3 0, 0.0 84,-0.2 -0.452 30.3-107.9 -72.0 163.0 80.9 126.8 92.4 17 17 A M S S+ 0 0 0 83,-0.1 83,-2.8 82,-0.1 84,-0.7 0.951 101.2 24.2 -52.2 -47.7 81.1 125.5 88.8 18 18 A F B S+A 99 0A 3 81,-0.3 81,-0.2 82,-0.2 -1,-0.1 -0.831 118.0 18.6-126.9 154.0 80.5 129.1 87.5 19 19 A F S S+ 0 0 24 79,-2.7 80,-0.1 -2,-0.3 -1,-0.1 0.358 89.8 108.8 67.1 4.5 81.0 132.7 88.7 20 20 A G S S- 0 0 27 78,-0.4 -1,-0.2 -4,-0.3 3,-0.1 0.108 85.1 -43.0 -80.7-153.9 83.5 131.9 91.5 21 21 A Q S S- 0 0 41 79,-0.1 -1,-0.2 1,-0.1 3,-0.1 -0.551 73.1 -97.1 -70.0 138.1 87.3 132.8 91.4 22 22 A P - 0 0 30 0, 0.0 -16,-0.2 0, 0.0 78,-0.2 -0.273 43.0-105.3 -53.2 138.6 89.0 132.1 88.0 23 23 A V + 0 0 3 76,-0.7 -17,-0.2 1,-0.2 3,-0.1 -0.417 45.6 166.4 -64.3 136.6 90.9 128.8 87.8 24 24 A Q + 0 0 3 1,-0.4 2,-0.3 -19,-0.2 -1,-0.2 0.553 59.3 47.7-120.4 -63.5 94.5 129.3 88.0 25 25 A V S S- 0 0 3 -19,-0.1 2,-0.8 1,-0.1 -1,-0.4 -0.584 72.2-147.7 -78.0 131.3 96.4 125.9 88.6 26 26 A A + 0 0 3 -2,-0.3 2,-0.3 396,-0.3 438,-0.1 -0.866 32.6 161.4 -95.0 106.3 95.1 123.2 86.3 27 27 A R - 0 0 12 -2,-0.8 434,-0.1 3,-0.1 76,-0.1 -0.928 27.7-172.1-123.2 153.5 95.4 120.0 88.4 28 28 A Y + 0 0 5 -2,-0.3 3,-0.1 432,-0.2 -1,-0.0 0.097 65.2 93.3-130.4 14.5 93.6 116.6 87.8 29 29 A D S S+ 0 0 28 1,-0.2 2,-0.3 445,-0.0 -1,-0.1 0.777 97.6 23.1 -78.2 -24.8 94.5 114.7 91.0 30 30 A Q - 0 0 50 3,-0.0 2,-0.3 4,-0.0 -1,-0.2 -0.994 67.6-172.1-144.6 145.5 91.3 115.9 92.6 31 31 A Q - 0 0 60 -2,-0.3 3,-0.3 1,-0.1 -18,-0.1 -0.990 26.1-146.2-138.0 143.4 88.0 117.0 91.4 32 32 A K S S+ 0 0 58 -2,-0.3 2,-0.6 1,-0.3 -1,-0.1 0.942 104.0 23.6 -66.5 -54.4 84.8 118.5 93.0 33 33 A Y S >> S- 0 0 29 1,-0.1 3,-0.8 -3,-0.1 4,-0.6 -0.925 72.0-166.1-111.1 109.6 82.6 116.8 90.4 34 34 A D H 3> S+ 0 0 99 -2,-0.6 4,-2.4 -3,-0.3 5,-0.2 0.692 76.1 79.4 -74.9 -12.0 84.3 113.7 88.9 35 35 A I H 3> S+ 0 0 40 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.918 92.6 53.1 -59.2 -35.8 81.8 113.3 86.0 36 36 A F H <> S+ 0 0 0 -3,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.903 110.2 47.6 -69.1 -33.3 83.7 116.1 84.1 37 37 A E H X S+ 0 0 7 -4,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.853 110.8 51.3 -67.1 -42.1 86.9 114.2 84.6 38 38 A K H X S+ 0 0 110 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.919 110.5 49.6 -60.7 -44.2 85.3 111.0 83.4 39 39 A L H X S+ 0 0 9 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.895 107.6 52.3 -63.4 -47.5 84.0 112.8 80.3 40 40 A I H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.973 112.8 47.1 -54.5 -52.1 87.5 114.3 79.5 41 41 A E H X S+ 0 0 70 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.890 114.1 46.1 -53.0 -43.6 88.9 110.8 79.7 42 42 A K H X S+ 0 0 98 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.886 111.4 51.2 -71.3 -40.0 86.2 109.2 77.6 43 43 A Q H < S+ 0 0 10 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.913 109.4 50.9 -64.8 -42.7 86.3 111.9 75.0 44 44 A L H >< S+ 0 0 9 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.858 105.9 56.2 -64.5 -35.8 90.1 111.5 74.7 45 45 A S H 3< S+ 0 0 57 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.926 105.0 54.3 -57.6 -39.4 89.6 107.7 74.2 46 46 A F T 3< S+ 0 0 28 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.121 73.8 144.9 -82.8 13.6 87.3 108.5 71.3 47 47 A F < + 0 0 54 -3,-1.6 2,-0.3 2,-0.0 -3,-0.1 -0.443 24.1 168.9 -58.2 124.0 89.9 110.6 69.4 48 48 A W - 0 0 24 -2,-0.2 -2,-0.0 185,-0.0 -3,-0.0 -0.939 31.0-135.4-135.8 159.0 89.3 110.0 65.7 49 49 A R > - 0 0 43 -2,-0.3 3,-1.0 1,-0.1 4,-0.1 -0.959 4.5-154.2-117.6 115.5 90.5 111.5 62.5 50 50 A P G > S+ 0 0 0 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.853 89.4 66.5 -53.6 -42.6 88.0 112.2 59.6 51 51 A E G 3 S+ 0 0 61 1,-0.3 70,-0.0 3,-0.0 -2,-0.0 0.821 93.3 61.0 -52.4 -33.2 90.5 112.1 56.8 52 52 A E G < S+ 0 0 159 -3,-1.0 2,-0.6 2,-0.1 -1,-0.3 0.444 82.5 95.1 -77.7 -2.6 91.1 108.4 57.4 53 53 A V S < S- 0 0 22 -3,-2.4 2,-0.5 -4,-0.1 173,-0.0 -0.845 79.3-129.0 -92.4 125.4 87.5 107.5 56.7 54 54 A D + 0 0 118 -2,-0.6 175,-0.1 1,-0.1 3,-0.1 -0.552 39.0 161.3 -70.4 114.4 87.1 106.5 53.1 55 55 A V >> + 0 0 3 -2,-0.5 3,-0.8 171,-0.1 4,-0.6 0.245 37.8 112.9-121.1 20.8 84.2 108.4 51.4 56 56 A S H >> S+ 0 0 68 1,-0.3 3,-1.4 2,-0.2 4,-0.8 0.888 74.9 53.6 -62.7 -41.0 85.2 107.9 47.7 57 57 A R H 3> S+ 0 0 126 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.784 95.0 69.9 -67.6 -25.5 82.1 105.7 46.9 58 58 A D H <> S+ 0 0 2 -3,-0.8 4,-2.8 2,-0.2 5,-0.3 0.792 90.9 61.2 -63.2 -24.3 79.8 108.5 48.3 59 59 A R H < S+ 0 0 26 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.943 110.8 52.8 -65.7 -46.2 75.6 111.0 45.6 63 63 A Q H 3< S+ 0 0 131 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.885 108.5 50.6 -54.7 -44.0 75.9 111.3 41.8 64 64 A A H 3< S+ 0 0 78 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.617 89.4 110.8 -72.5 -12.7 73.4 108.6 41.4 65 65 A L S << S- 0 0 7 -3,-1.5 2,-0.1 -4,-0.5 -3,-0.0 -0.387 76.8-110.8 -66.6 136.2 70.9 110.3 43.8 66 66 A P >> - 0 0 59 0, 0.0 4,-2.5 0, 0.0 3,-0.8 -0.458 33.5-111.2 -54.5 139.7 67.7 111.8 42.5 67 67 A E H 3> S+ 0 0 138 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.796 115.4 55.0 -46.7 -40.8 67.8 115.6 42.7 68 68 A H H 3> S+ 0 0 58 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.941 113.9 39.2 -68.1 -39.8 65.1 115.7 45.4 69 69 A E H <> S+ 0 0 37 -3,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.835 110.8 58.4 -82.3 -17.8 67.0 113.3 47.7 70 70 A K H X S+ 0 0 32 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.910 106.2 51.6 -64.7 -38.1 70.3 115.0 46.8 71 71 A H H X S+ 0 0 19 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.828 108.7 49.8 -66.6 -35.2 68.6 118.1 48.1 72 72 A I H X S+ 0 0 0 -4,-1.1 4,-2.1 2,-0.2 5,-0.2 0.937 112.1 48.1 -70.0 -44.4 67.6 116.3 51.4 73 73 A F H X S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.963 115.7 41.9 -59.5 -51.3 71.2 115.1 51.9 74 74 A I H X S+ 0 0 18 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.891 112.2 52.5 -72.8 -36.5 72.9 118.4 51.3 75 75 A S H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.901 111.5 48.6 -65.6 -36.5 70.4 120.6 53.3 76 76 A N H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 3,-0.2 0.949 111.9 49.0 -66.3 -43.1 70.9 118.3 56.2 77 77 A L H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.931 107.7 54.6 -62.1 -45.6 74.7 118.5 55.8 78 78 A K H X S+ 0 0 18 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.828 109.4 47.4 -60.6 -31.6 74.5 122.3 55.6 79 79 A Y H X S+ 0 0 0 -4,-1.5 4,-2.7 -3,-0.2 -1,-0.2 0.924 109.8 51.9 -77.4 -40.1 72.7 122.6 58.9 80 80 A Q H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.945 110.3 50.2 -57.9 -44.9 75.1 120.1 60.7 81 81 A T H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 286,-0.3 0.891 109.3 51.5 -62.0 -39.3 78.0 122.3 59.5 82 82 A L H X S+ 0 0 1 -4,-1.6 4,-2.1 -5,-0.2 5,-0.2 0.967 111.5 47.3 -60.0 -49.7 76.2 125.5 60.8 83 83 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.954 113.8 44.8 -64.8 -48.5 75.7 124.0 64.3 84 84 A D H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.840 107.4 59.7 -68.7 -24.3 79.3 122.6 64.7 85 85 A S H X S+ 0 0 1 -4,-2.0 4,-1.3 -5,-0.3 3,-0.4 0.962 112.5 39.6 -61.3 -44.7 80.7 125.9 63.4 86 86 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.918 115.6 51.5 -73.2 -36.0 79.0 127.7 66.3 87 87 A Q H < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 28,-0.2 0.688 103.2 61.2 -75.6 -15.7 79.8 124.8 68.8 88 88 A G H < S+ 0 0 3 -4,-1.5 4,-0.4 -3,-0.4 -1,-0.2 0.971 119.9 21.0 -73.2 -51.7 83.4 125.0 67.9 89 89 A R H X S+ 0 0 0 -4,-1.3 4,-2.4 256,-0.2 5,-0.2 0.833 113.8 67.2 -89.0 -30.9 84.0 128.5 69.0 90 90 A S H X>S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 5,-0.6 0.812 90.7 54.6 -72.6 -36.0 81.1 129.2 71.4 91 91 A P H >>S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-1.7 0.966 117.1 44.0 -60.6 -38.8 81.7 127.0 74.6 92 92 A N H 45S+ 0 0 0 -4,-0.4 4,-0.2 3,-0.2 -2,-0.2 0.942 119.1 39.5 -71.6 -47.2 85.2 128.6 74.7 93 93 A V H <5S+ 0 0 14 -4,-2.4 -1,-0.2 1,-0.1 -3,-0.2 0.916 128.1 30.3 -72.3 -37.1 84.1 132.2 74.0 94 94 A A H <5S+ 0 0 2 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.1 0.916 130.0 26.4 -90.5 -42.0 80.9 132.2 76.2 95 95 A L T >X4 S- 0 0 0 -84,-0.7 4,-1.7 1,-0.1 3,-0.4 -0.926 74.0-134.4-114.0 142.6 86.6 124.6 88.9 102 102 A P H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.938 99.4 56.5 -64.0 -40.5 89.5 123.0 86.8 103 103 A E H > S+ 0 0 5 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.851 110.1 45.9 -65.9 -26.9 87.7 119.9 85.6 104 104 A L H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.936 109.7 55.2 -80.9 -38.3 84.9 121.9 84.0 105 105 A E H X S+ 0 0 6 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.891 114.0 40.0 -54.9 -45.2 87.4 124.3 82.4 106 106 A T H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.898 111.9 55.7 -76.0 -40.1 89.2 121.5 80.6 107 107 A W H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.3 3,-0.3 0.930 108.6 50.5 -56.9 -42.2 86.0 119.6 79.8 108 108 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.3 5,-0.2 0.919 111.1 46.5 -65.3 -39.5 84.8 122.8 78.0 109 109 A E H X S+ 0 0 3 -4,-1.7 4,-1.4 1,-0.2 -1,-0.3 0.781 114.7 48.0 -73.9 -21.4 88.0 123.1 76.1 110 110 A T H X S+ 0 0 2 -4,-1.9 4,-2.5 -3,-0.3 -2,-0.2 0.871 111.2 50.9 -81.1 -35.2 87.9 119.4 75.1 111 111 A W H X S+ 0 0 0 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.933 111.7 45.6 -66.1 -48.3 84.2 119.7 74.1 112 112 A A H >X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 3,-0.6 0.928 111.3 55.3 -66.6 -36.4 84.8 122.7 71.9 113 113 A F H >X S+ 0 0 8 -4,-1.4 4,-1.3 -5,-0.2 3,-1.0 0.966 103.6 52.1 -61.5 -51.5 87.9 120.9 70.4 114 114 A S H 3X S+ 0 0 5 -4,-2.5 4,-1.3 1,-0.3 -1,-0.2 0.789 105.0 59.1 -59.4 -21.1 85.9 117.8 69.4 115 115 A E H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 3,-1.1 0.956 115.8 48.1 -74.6 -49.8 82.6 114.9 52.9 126 126 A I H 3X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.3 -2,-0.2 0.934 108.9 55.1 -56.4 -46.1 81.6 118.0 50.9 127 127 A R H 3< S+ 0 0 106 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.656 112.2 44.6 -65.5 -19.3 85.0 118.0 49.2 128 128 A N H <4 S+ 0 0 54 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.835 119.9 34.7 -92.3 -34.5 84.5 114.5 48.1 129 129 A I H < S+ 0 0 10 -4,-2.1 2,-0.3 -3,-0.1 -2,-0.2 0.704 112.3 55.6 -94.8 -23.8 80.9 114.6 46.8 130 130 A V < - 0 0 25 -4,-2.3 -71,-0.0 -5,-0.3 -67,-0.0 -0.853 69.9-140.0-114.0 147.7 80.6 118.1 45.4 131 131 A N S S+ 0 0 151 -2,-0.3 -1,-0.1 1,-0.3 -4,-0.0 0.774 95.0 27.1 -83.5 -28.1 82.8 119.6 42.7 132 132 A D >> - 0 0 80 1,-0.1 3,-1.4 -6,-0.1 4,-0.6 -0.860 66.9-163.1-131.4 104.8 83.0 123.1 44.1 133 133 A P H >> S+ 0 0 16 0, 0.0 4,-2.1 0, 0.0 3,-1.2 0.837 80.1 76.2 -43.7 -40.3 82.7 123.3 48.0 134 134 A S H 3> S+ 0 0 26 1,-0.3 4,-2.3 2,-0.2 5,-0.3 0.691 85.8 57.8 -57.4 -24.3 82.0 127.0 47.9 135 135 A V H <> S+ 0 0 99 -3,-1.4 4,-1.2 2,-0.2 -1,-0.3 0.898 112.6 42.5 -74.9 -30.2 78.4 126.8 46.7 136 136 A V H X - 0 0 20 -4,-2.1 4,-2.4 -3,-0.4 3,-0.6 -0.514 52.8-155.4 -72.8 112.2 70.0 130.4 53.2 144 144 A E H 3> S+ 0 0 157 -2,-0.7 4,-2.1 1,-0.3 -1,-0.2 0.876 92.9 50.7 -56.4 -34.7 66.9 132.1 54.9 145 145 A Q H 3> S+ 0 0 64 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.868 107.3 49.3 -76.8 -33.9 65.6 128.6 55.9 146 146 A I H <> S+ 0 0 0 -3,-0.6 4,-1.4 2,-0.2 -2,-0.2 0.960 115.0 46.0 -71.1 -43.4 68.8 127.3 57.5 147 147 A Q H X S+ 0 0 57 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.909 107.6 60.8 -65.1 -32.6 69.0 130.5 59.5 148 148 A K 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0.819 92.4 74.0 -57.7 -38.5 100.1 110.7 79.4 392 51 B E G 3 S+ 0 0 80 1,-0.3 4,-0.1 3,-0.1 70,-0.0 0.717 90.2 56.7 -52.0 -27.5 98.6 107.7 81.0 393 52 B E G < S+ 0 0 159 -3,-1.5 2,-0.6 2,-0.1 -1,-0.3 0.411 88.7 79.9 -92.3 5.9 100.4 105.2 78.8 394 53 B V S < S- 0 0 15 -3,-2.4 2,-0.7 -4,-0.1 173,-0.0 -0.951 83.1-138.7 -97.7 122.8 103.8 106.4 79.7 395 54 B D + 0 0 102 -2,-0.6 3,-0.2 1,-0.1 4,-0.1 -0.752 25.6 179.4 -91.1 124.4 104.6 104.8 83.0 396 55 B V > + 0 0 0 -2,-0.7 3,-0.6 1,-0.1 4,-0.4 0.164 45.2 118.9-100.8 19.6 106.3 107.0 85.5 397 56 B S T > S+ 0 0 67 1,-0.2 3,-1.8 2,-0.2 4,-0.5 0.930 72.9 45.8 -54.5 -54.6 106.4 104.3 88.2 398 57 B R T 3> S+ 0 0 132 1,-0.3 4,-2.1 -3,-0.2 3,-0.4 0.740 94.5 80.4 -67.9 -17.1 110.2 103.9 88.7 399 58 B D H <> S+ 0 0 4 -3,-0.6 4,-2.4 1,-0.2 -1,-0.3 0.737 84.0 63.4 -59.9 -19.1 110.5 107.7 88.8 400 59 B R H <> S+ 0 0 80 -3,-1.8 4,-2.7 -4,-0.4 -1,-0.2 0.947 105.0 42.8 -70.2 -45.5 109.4 107.5 92.4 401 60 B I H > S+ 0 0 113 -4,-0.5 4,-2.3 -3,-0.4 -2,-0.2 0.958 115.2 50.3 -66.4 -50.2 112.4 105.5 93.5 402 61 B D H X S+ 0 0 15 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.918 112.7 45.7 -53.7 -46.7 114.7 107.7 91.4 403 62 B Y H >< S+ 0 0 26 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.944 112.0 51.2 -64.6 -46.0 113.2 110.9 92.9 404 63 B Q H 3< S+ 0 0 104 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.836 110.3 51.2 -57.7 -37.4 113.4 109.5 96.5 405 64 B A H 3< S+ 0 0 77 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.549 87.7 108.5 -76.7 -10.2 117.0 108.6 95.9 406 65 B L S << S- 0 0 7 -3,-1.6 2,-0.1 -4,-0.6 5,-0.1 -0.446 81.4-103.2 -69.6 139.3 118.0 112.1 94.6 407 66 B P >> - 0 0 61 0, 0.0 4,-1.8 0, 0.0 3,-1.1 -0.407 41.0-108.6 -48.1 134.6 120.2 114.4 96.8 408 67 B E H 3> S+ 0 0 134 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.767 116.7 51.7 -40.4 -46.4 117.9 117.0 98.3 409 68 B H H 3> S+ 0 0 42 225,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.915 109.6 50.7 -64.7 -40.2 119.1 120.0 96.3 410 69 B E H <> S+ 0 0 8 -3,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.863 108.0 51.7 -67.2 -34.3 118.6 118.0 93.0 411 70 B K H X S+ 0 0 23 -4,-1.8 4,-2.3 1,-0.2 5,-0.3 0.866 106.7 55.1 -73.1 -21.9 115.1 117.2 94.1 412 71 B H H X S+ 0 0 17 -4,-1.9 4,-2.4 -5,-0.3 5,-0.2 0.908 110.2 46.2 -69.2 -39.9 114.6 120.9 94.7 413 72 B I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.957 113.8 48.1 -67.1 -45.8 115.7 121.5 91.1 414 73 B F H X S+ 0 0 6 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.964 117.7 39.1 -57.6 -58.3 113.5 118.8 89.6 415 74 B I H X S+ 0 0 15 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.863 114.9 52.0 -67.3 -37.3 110.3 119.8 91.5 416 75 B S H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.907 110.9 48.9 -70.2 -32.2 110.8 123.5 91.1 417 76 B N H X S+ 0 0 8 -4,-2.4 4,-2.2 -5,-0.2 3,-0.3 0.949 111.6 49.1 -67.8 -43.3 111.3 123.1 87.4 418 77 B L H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.938 107.1 56.2 -61.6 -45.9 108.2 121.0 87.1 419 78 B K H X S+ 0 0 19 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.852 108.4 47.3 -53.0 -39.3 106.2 123.6 89.1 420 79 B Y H X S+ 0 0 2 -4,-1.5 4,-2.6 -3,-0.3 5,-0.2 0.932 108.6 53.9 -71.7 -41.7 107.1 126.3 86.6 421 80 B Q H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.926 110.0 49.8 -58.2 -43.4 106.2 124.0 83.7 422 81 B T H X S+ 0 0 1 -4,-2.8 4,-1.9 2,-0.2 -396,-0.3 0.925 109.7 49.2 -59.4 -47.2 102.8 123.5 85.4 423 82 B L H >X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-0.6 0.970 111.3 49.6 -57.7 -53.6 102.2 127.3 85.8 424 83 B L H 3X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.3 -1,-0.2 0.894 114.1 44.2 -61.2 -40.7 103.1 128.1 82.2 425 84 B D H 3X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.3 0.791 107.1 60.0 -77.7 -14.9 100.8 125.4 80.8 426 85 B S H S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 5,-0.5 0.761 91.0 55.1 -67.8 -39.2 94.6 132.0 77.4 432 91 B P H >>S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-1.2 0.972 116.1 45.6 -46.2 -51.7 94.9 131.5 73.6 433 92 B N H >5S+ 0 0 1 -4,-0.5 4,-0.8 -5,-0.2 -2,-0.2 0.964 117.6 38.8 -61.2 -55.8 91.1 130.8 73.7 434 93 B V H <5S+ 0 0 14 -4,-2.1 -1,-0.2 1,-0.2 -3,-0.2 0.832 127.2 33.3 -69.6 -32.6 90.0 133.7 76.0 435 94 B A H <5S+ 0 0 1 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.854 127.8 29.1 -93.1 -34.1 92.4 136.3 74.5 436 95 B L H >X<> S- 0 0 0 -84,-0.5 4,-1.6 1,-0.1 3,-0.6 -0.999 73.5-133.3-135.0 137.8 90.0 133.7 59.3 443 102 B P H 3> S+ 0 0 3 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.861 99.3 55.9 -64.4 -37.1 88.9 130.0 60.1 444 103 B E H 3> S+ 0 0 4 1,-0.2 4,-1.3 2,-0.2 -63,-0.1 0.853 111.2 45.7 -70.9 -26.8 92.2 128.2 59.9 445 104 B L H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.874 110.3 54.5 -78.7 -36.6 93.7 130.5 62.5 446 105 B E H X S+ 0 0 5 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.944 113.4 41.1 -60.8 -45.8 90.6 130.2 64.7 447 106 B T H X S+ 0 0 1 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.801 111.0 56.4 -78.5 -23.2 90.8 126.4 64.7 448 107 B W H X S+ 0 0 0 -4,-1.3 4,-3.2 -5,-0.3 3,-0.4 0.974 106.8 51.4 -68.6 -43.8 94.6 126.4 65.1 449 108 B V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.3 5,-0.2 0.921 112.7 45.2 -60.2 -36.9 94.1 128.5 68.3 450 109 B E H X S+ 0 0 2 -4,-1.8 4,-1.8 2,-0.2 -1,-0.3 0.838 116.1 45.0 -73.2 -29.9 91.6 126.0 69.7 451 110 B T H X S+ 0 0 2 -4,-1.8 4,-2.3 -3,-0.4 -2,-0.2 0.934 113.0 52.2 -78.1 -40.9 93.8 123.0 68.8 452 111 B W H X S+ 0 0 2 -4,-3.2 4,-1.4 2,-0.2 -2,-0.2 0.936 111.9 45.6 -53.6 -55.3 96.9 124.8 70.2 453 112 B A H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 3,-0.3 0.910 110.1 54.2 -61.6 -44.4 95.0 125.4 73.5 454 113 B F H >X S+ 0 0 10 -4,-1.8 4,-1.3 1,-0.2 3,-0.6 0.932 103.4 54.7 -58.6 -41.4 93.7 121.9 73.7 455 114 B S H 3X S+ 0 0 5 -4,-2.3 4,-1.3 1,-0.3 -1,-0.2 0.879 103.6 58.6 -67.2 -27.5 97.2 120.3 73.4 456 115 B E H 3X S+ 0 0 0 -4,-1.4 4,-2.2 -3,-0.3 3,-0.4 0.921 100.0 55.1 -62.6 -37.8 98.3 122.5 76.4 457 116 B T H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 3,-0.5 0.966 116.1 45.9 -73.5 -52.6 103.9 112.7 87.0 467 126 B I H 3X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.918 107.9 57.7 -60.4 -44.1 103.4 114.4 90.3 468 127 B R H 3< S+ 0 0 127 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.818 113.8 40.2 -51.2 -41.7 100.7 111.8 91.5 469 128 B N H << S+ 0 0 57 -4,-0.9 3,-0.3 -3,-0.5 -1,-0.2 0.852 120.3 39.1 -82.1 -35.3 103.2 109.1 91.1 470 129 B I H < S+ 0 0 0 -4,-2.4 2,-0.5 1,-0.3 -2,-0.2 0.842 123.0 33.3 -88.9 -27.5 106.4 110.7 92.4 471 130 B V S < S- 0 0 31 -4,-2.6 2,-0.4 -5,-0.2 -1,-0.3 -0.812 72.9-155.0-131.0 82.2 105.1 112.7 95.4 472 131 B N S S+ 0 0 102 -2,-0.5 -4,-0.1 -3,-0.3 -1,-0.1 0.306 85.7 60.2 -44.1 2.0 102.3 110.9 96.9 473 132 B D >> - 0 0 90 -2,-0.4 3,-1.5 -6,-0.2 4,-0.6 -0.665 67.3-179.6-121.8 89.3 100.8 114.0 98.4 474 133 B P H 3> + 0 0 18 0, 0.0 4,-2.5 0, 0.0 3,-0.4 0.801 68.5 70.6 -49.4 -39.3 100.1 116.2 95.3 475 134 B S H 3> S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.744 89.8 62.4 -59.2 -24.1 98.5 119.3 97.0 476 135 B V H <> S+ 0 0 95 -3,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.981 112.5 36.4 -62.6 -53.8 102.0 120.3 98.5 477 136 B V H X S+ 0 0 7 -4,-0.6 4,-1.0 -3,-0.4 3,-0.2 0.969 121.0 46.1 -62.0 -55.8 103.3 120.8 95.0 478 137 B F H >X S+ 0 0 2 -4,-2.5 3,-0.8 1,-0.2 4,-0.8 0.915 111.5 49.4 -61.8 -42.5 100.2 122.2 93.5 479 138 B D H 3X S+ 0 0 50 -4,-2.5 4,-1.0 1,-0.2 3,-0.2 0.862 106.7 58.6 -69.2 -24.7 99.3 124.7 96.3 480 139 B D H 3X S+ 0 0 49 -4,-1.5 4,-2.2 -5,-0.3 -1,-0.2 0.753 91.0 67.8 -76.2 -19.8 102.9 126.0 96.2 481 140 B I H << S+ 0 0 1 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.962 101.7 49.5 -61.5 -42.6 102.8 127.1 92.5 482 141 B V H < S+ 0 0 6 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.891 122.2 29.2 -63.7 -44.9 100.2 129.8 93.3 483 142 B T H < S+ 0 0 59 -4,-1.0 2,-0.4 -475,-0.1 -1,-0.2 0.681 82.6 124.8 -93.5 -16.6 102.1 131.3 96.3 484 143 B N X - 0 0 13 -4,-2.2 4,-3.0 1,-0.2 -4,-0.0 -0.262 49.2-152.8 -60.7 115.0 105.8 130.7 95.4 485 144 B E H > S+ 0 0 139 -2,-0.4 4,-0.8 1,-0.2 -1,-0.2 0.815 93.0 47.9 -51.5 -41.4 107.6 134.0 95.4 486 145 B Q H 4 S+ 0 0 66 2,-0.2 3,-0.5 1,-0.2 4,-0.4 0.945 114.0 43.1 -75.4 -45.6 110.2 132.9 93.0 487 146 B I H >> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.1 3,-0.7 0.907 106.7 72.6 -62.8 -34.5 107.8 131.4 90.4 488 147 B Q H 3X S+ 0 0 41 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.732 75.5 68.0 -57.5 -37.2 105.5 134.4 90.9 489 148 B K H 3X S+ 0 0 145 -4,-0.8 4,-2.0 -3,-0.5 -1,-0.2 0.914 110.9 35.8 -58.3 -38.5 107.3 137.4 89.2 490 149 B R H <> S+ 0 0 5 -3,-0.7 4,-2.9 -4,-0.4 5,-0.3 0.956 109.8 63.4 -81.6 -42.4 106.8 136.0 85.7 491 150 B A H X S+ 0 0 6 -4,-1.4 4,-2.7 1,-0.2 5,-0.2 0.919 109.4 42.5 -38.5 -53.7 103.4 134.5 86.5 492 151 B E H X S+ 0 0 115 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.937 115.3 49.1 -60.2 -51.8 102.2 138.1 87.1 493 152 B G H X S+ 0 0 32 -4,-2.0 4,-1.1 -5,-0.2 -1,-0.2 0.879 113.7 45.3 -59.1 -43.3 104.1 139.5 84.0 494 153 B I H >X S+ 0 0 15 -4,-2.9 4,-1.3 2,-0.2 3,-0.8 0.965 114.8 47.0 -67.6 -49.9 102.7 136.8 81.5 495 154 B S H 3X S+ 0 0 9 -4,-2.7 4,-3.3 -5,-0.3 -491,-0.3 0.871 103.7 65.0 -66.7 -30.1 99.2 137.1 82.8 496 155 B S H 3X S+ 0 0 47 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.844 100.2 48.9 -57.5 -40.4 99.3 140.9 82.7 497 156 B Y H S+ 0 0 40 -4,-2.0 4,-2.9 1,-0.2 5,-0.8 0.938 112.0 50.9 -63.2 -43.6 85.8 147.8 75.8 508 167 B W H X5S+ 0 0 47 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.961 113.2 43.9 -60.5 -54.2 86.4 147.8 72.1 509 168 B H H <5S+ 0 0 21 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.785 120.6 40.9 -64.8 -30.7 83.5 145.3 71.4 510 169 B L H <5S+ 0 0 32 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.918 133.4 14.4 -80.5 -50.7 81.1 147.0 73.7 511 170 B L H <5S- 0 0 35 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.625 89.5-148.5-102.0 -18.7 81.7 150.7 73.1 512 171 B G << - 0 0 24 -4,-2.1 13,-0.2 -5,-0.8 -1,-0.1 -0.024 47.3 -27.0 68.6 178.8 83.7 150.8 69.9 513 172 B E S S+ 0 0 113 11,-0.1 2,-0.2 -4,-0.0 13,-0.2 -0.134 94.1 51.9 -65.6 155.8 86.2 153.5 69.2 514 173 B G E S- D 0 525B 31 11,-2.3 11,-2.7 2,-0.1 2,-0.6 -0.617 90.3 -43.2 122.5-169.4 86.3 157.0 70.6 515 174 B T E + D 0 524B 102 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.869 59.0 175.1-103.9 119.3 86.1 158.9 73.8 516 175 B H E - D 0 523B 14 7,-3.0 7,-2.7 -2,-0.6 2,-0.4 -0.794 26.2-131.5-118.6 161.4 83.4 157.5 76.2 517 176 B T E - D 0 522B 65 -2,-0.3 -339,-2.9 5,-0.2 2,-0.4 -0.973 18.8-175.8-117.3 136.5 82.5 158.4 79.8 518 177 B V E > S-CD 177 521B 15 3,-2.6 3,-1.8 -2,-0.4 -341,-0.2 -0.980 73.3 -31.9-129.2 111.2 82.0 155.6 82.3 519 178 B N T 3 S- 0 0 84 -343,-2.5 3,-0.1 -2,-0.4 -342,-0.1 0.830 126.4 -40.9 41.8 48.9 80.8 156.8 85.7 520 179 B G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 -344,-0.2 2,-0.1 -0.017 120.4 105.0 97.8 -33.6 82.5 160.2 85.7 521 180 B K E < -D 518 0B 155 -3,-1.8 -3,-2.6 1,-0.0 2,-0.4 -0.466 68.6-127.8 -79.6 151.5 85.7 158.8 84.1 522 181 B T E -D 517 0B 90 -5,-0.2 2,-0.4 -2,-0.1 -5,-0.2 -0.857 22.6-168.7 -92.3 139.4 86.8 159.3 80.5 523 182 B V E -D 516 0B 26 -7,-2.7 -7,-3.0 -2,-0.4 2,-0.5 -0.998 4.5-159.1-132.7 123.3 87.7 156.1 78.7 524 183 B T E -D 515 0B 99 -2,-0.4 2,-0.5 -9,-0.2 -9,-0.2 -0.917 4.2-164.8-107.9 124.7 89.4 156.3 75.3 525 184 B V E +D 514 0B 10 -11,-2.7 -11,-2.3 -2,-0.5 2,-0.4 -0.945 10.6 176.8-110.5 127.5 89.2 153.3 73.0 526 185 B S > - 0 0 34 -2,-0.5 4,-2.1 -13,-0.2 5,-0.1 -0.990 28.9-153.3-135.9 126.9 91.6 153.1 70.1 527 186 B L H > S+ 0 0 33 -2,-0.4 4,-2.9 2,-0.2 -1,-0.1 0.892 99.2 60.5 -65.7 -33.9 92.0 150.3 67.6 528 187 B R H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.946 107.9 43.7 -57.9 -51.6 95.6 151.4 67.0 529 188 B E H > S+ 0 0 90 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.877 111.5 53.7 -61.5 -41.7 96.4 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105.5 138.7 71.1 540 199 B S H X S+ 0 0 21 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.893 109.7 50.6 -69.2 -35.4 105.3 137.7 74.8 541 200 B V H X S+ 0 0 6 -4,-3.0 4,-2.2 2,-0.2 5,-0.3 0.857 108.2 54.9 -69.5 -32.0 103.6 134.3 73.9 542 201 B N H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.3 0.973 108.4 47.7 -62.0 -50.1 106.4 133.7 71.4 543 202 B A H X>S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 5,-1.9 0.891 110.1 54.0 -56.2 -39.8 109.0 134.3 74.2 544 203 B L H <>S+ 0 0 3 -4,-2.1 5,-2.2 3,-0.2 6,-0.3 0.971 118.3 31.2 -62.3 -52.7 107.2 131.9 76.5 545 204 B E H <5S+ 0 0 0 -4,-2.2 5,-0.3 3,-0.2 -2,-0.2 0.901 125.0 46.0 -78.3 -34.0 107.1 128.9 74.1 546 205 B A H <5S+ 0 0 0 -4,-2.7 -3,-0.2 -5,-0.3 -1,-0.2 0.830 133.4 5.0 -73.3 -38.5 110.3 129.7 72.4 547 206 B I T X5S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 5,-0.2 0.769 124.0 52.8-114.9 -53.6 112.6 130.5 75.5 548 207 B R H > S+ 0 0 15 -5,-0.3 4,-1.3 -6,-0.3 -2,-0.2 0.834 102.7 53.7 -72.4 -26.9 113.2 125.6 76.4 551 210 B V H X S+ 0 0 5 -4,-2.3 4,-1.3 1,-0.2 3,-0.3 0.953 109.9 49.0 -68.6 -42.0 115.2 126.5 79.4 552 211 B S H X S+ 0 0 2 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.780 103.2 61.2 -68.8 -27.5 113.0 124.1 81.5 553 212 B F H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 5,-0.3 0.952 100.7 54.3 -64.0 -40.8 113.5 121.3 78.9 554 213 B A H X S+ 0 0 0 -4,-1.3 4,-1.6 -3,-0.3 -2,-0.2 0.881 107.6 50.1 -59.9 -40.6 117.3 121.4 79.6 555 214 B C H X S+ 0 0 3 -4,-1.3 4,-1.1 2,-0.2 3,-0.3 0.969 112.6 46.7 -65.2 -43.4 116.6 120.9 83.3 556 215 B S H X S+ 0 0 2 -4,-2.3 4,-1.4 1,-0.2 3,-0.2 0.958 114.0 46.5 -66.0 -43.3 114.3 117.9 82.6 557 216 B F H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.744 98.6 68.3 -74.7 -20.1 116.7 116.2 80.1 558 217 B A H X S+ 0 0 5 -4,-1.6 4,-1.3 -3,-0.3 -1,-0.2 0.966 103.2 47.3 -60.8 -46.2 119.9 116.6 82.3 559 218 B F H ><>S+ 0 0 1 -4,-1.1 5,-1.9 -3,-0.2 3,-1.2 0.971 111.3 50.6 -57.8 -48.0 118.3 114.1 84.7 560 219 B A H ><5S+ 0 0 5 -4,-1.4 3,-1.6 1,-0.3 -1,-0.2 0.839 102.2 61.4 -61.4 -28.4 117.4 111.7 81.7 561 220 B E H 3<5S+ 0 0 90 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.863 106.5 45.8 -65.3 -30.8 121.0 112.0 80.6 562 221 B R T <<5S- 0 0 81 -4,-1.3 -1,-0.3 -3,-1.2 -2,-0.2 0.282 122.2-112.6 -90.7 10.1 121.9 110.4 83.9 563 222 B E T < 5S+ 0 0 131 -3,-1.6 2,-0.3 1,-0.3 3,-0.3 0.764 77.4 127.2 59.3 36.7 119.1 107.8 83.4 564 223 B L < + 0 0 34 -5,-1.9 -1,-0.3 1,-0.2 -2,-0.2 -0.868 65.5 15.9-117.2 147.9 117.1 109.2 86.2 565 224 B M S > S+ 0 0 1 -2,-0.3 4,-1.8 -167,-0.2 -1,-0.2 0.919 71.9 163.5 55.3 51.8 113.4 110.2 85.9 566 225 B E H > + 0 0 57 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.898 69.1 54.0 -71.4 -35.3 113.0 108.4 82.6 567 226 B G H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.974 110.1 48.4 -60.4 -51.7 109.2 108.4 82.6 568 227 B N H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.881 110.1 54.2 -52.7 -38.2 109.2 112.2 83.1 569 228 B A H X S+ 0 0 3 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.893 104.1 52.5 -68.3 -39.6 111.7 112.3 80.2 570 229 B K H X S+ 0 0 97 -4,-2.2 4,-1.7 -3,-0.3 -1,-0.2 0.921 112.6 47.3 -62.5 -36.5 109.5 110.4 77.8 571 230 B I H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.869 109.2 50.1 -76.5 -33.2 106.7 112.8 78.6 572 231 B I H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.844 105.6 60.1 -76.7 -24.0 108.8 116.0 78.2 573 232 B R H X S+ 0 0 123 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.971 109.5 41.4 -63.6 -50.3 109.9 114.6 74.8 574 233 B L H X S+ 0 0 36 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.883 115.4 50.6 -70.6 -33.8 106.3 114.5 73.6 575 234 B I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.955 110.7 49.2 -62.2 -46.9 105.5 117.9 75.2 576 235 B A H X S+ 0 0 2 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.889 106.2 56.3 -60.1 -43.4 108.6 119.4 73.5 577 236 B R H X S+ 0 0 80 -4,-2.3 4,-1.1 1,-0.2 3,-0.2 0.947 110.8 45.9 -53.7 -48.5 107.6 117.9 70.1 578 237 B D H X S+ 0 0 2 -4,-1.8 4,-1.8 1,-0.2 3,-0.3 0.901 107.3 57.3 -58.6 -44.7 104.3 119.8 70.5 579 238 B E H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.874 96.0 63.2 -62.8 -31.7 106.0 123.0 71.6 580 239 B A H X S+ 0 0 17 -4,-1.9 4,-2.2 -3,-0.2 -1,-0.2 0.930 106.3 45.9 -57.7 -41.9 108.0 123.2 68.4 581 240 B L H X S+ 0 0 11 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N H X S+ 0 0 48 -4,-2.9 4,-1.9 1,-0.3 -2,-0.2 0.868 113.4 48.6 -62.0 -37.7 106.3 137.6 60.7 592 251 B L H <>S+ 0 0 37 -4,-2.8 6,-1.2 -5,-0.2 5,-0.5 0.873 112.9 50.3 -68.7 -34.6 103.2 137.9 58.5 593 252 B L H ><5S+ 0 0 2 -4,-1.6 3,-1.1 -5,-0.3 6,-0.3 0.952 113.7 42.3 -70.1 -47.0 102.0 140.8 60.7 594 253 B R H 3<5S+ 0 0 86 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.844 104.0 65.7 -71.8 -29.8 105.3 142.8 60.6 595 254 B S T 3<5S- 0 0 71 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.725 102.7-131.0 -59.7 -20.6 105.8 142.2 56.8 596 255 B G T < 5S+ 0 0 22 -3,-1.1 -1,-0.1 -4,-0.5 -3,-0.1 0.434 76.6 120.5 78.9 -1.9 102.7 144.3 56.2 597 256 B A S - 0 0 22 -6,-0.3 4,-1.1 -7,-0.3 3,-0.5 -0.978 61.0-148.1-134.4 127.1 97.4 144.4 57.6 600 259 B P H > S+ 0 0 100 0, 0.0 4,-1.6 0, 0.0 3,-0.1 0.876 99.2 57.0 -67.4 -32.5 99.5 147.5 56.6 601 260 B E H > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.816 101.0 57.3 -68.9 -27.1 98.9 149.2 60.0 602 261 B M H > S+ 0 0 1 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.901 102.2 55.8 -69.8 -33.8 100.4 146.1 61.8 603 262 B A H X S+ 0 0 25 -4,-1.1 4,-1.9 1,-0.2 -2,-0.2 0.929 109.1 46.9 -60.2 -45.1 103.6 146.6 59.8 604 263 B E H X S+ 0 0 107 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.926 111.4 50.1 -61.4 -45.6 103.8 150.2 61.1 605 264 B I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.958 107.2 53.8 -62.8 -45.8 103.1 149.1 64.7 606 265 B A H X S+ 0 0 10 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.909 109.8 50.3 -55.2 -42.3 105.8 146.4 64.6 607 266 B E H >< S+ 0 0 129 -4,-1.9 3,-1.2 1,-0.2 4,-0.3 0.935 111.7 44.7 -61.8 -49.6 108.2 149.1 63.5 608 267 B E H 3< S+ 0 0 115 -4,-2.4 3,-0.4 1,-0.2 4,-0.2 0.898 114.2 51.3 -59.4 -40.4 107.3 151.6 66.3 609 268 B C H >X S+ 0 0 8 -4,-2.6 4,-2.6 1,-0.2 3,-0.8 0.493 78.5 108.4 -79.7 3.0 107.4 148.8 68.9 610 269 B K H S+ 0 0 117 -3,-0.4 4,-1.7 -4,-0.3 -1,-0.3 0.814 116.7 47.7 -66.1 -30.6 112.9 148.7 70.9 612 271 B E H <> S+ 0 0 104 -3,-0.8 4,-2.6 -4,-0.2 -1,-0.2 0.843 110.7 51.4 -83.7 -21.8 110.2 147.6 73.4 613 272 B C H X S+ 0 0 3 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.928 110.4 50.3 -70.6 -38.4 109.9 144.2 71.7 614 273 B Y H X S+ 0 0 56 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.905 112.3 47.6 -58.9 -45.4 113.7 144.0 72.0 615 274 B D H X S+ 0 0 84 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.911 106.7 55.2 -67.5 -39.5 113.3 144.9 75.7 616 275 B L H X S+ 0 0 22 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.932 111.0 47.7 -61.6 -38.6 110.5 142.3 76.4 617 276 B F H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.939 111.0 46.6 -70.2 -44.7 112.8 139.6 75.1 618 277 B V H X S+ 0 0 41 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.892 112.2 54.1 -64.0 -33.5 115.9 140.6 77.1 619 278 B Q H X S+ 0 0 108 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.910 107.3 50.2 -63.8 -39.4 113.7 140.9 80.1 620 279 B A H X S+ 0 0 2 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.923 111.2 48.0 -62.2 -44.9 112.4 137.3 79.5 621 280 B A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.905 110.7 52.0 -64.5 -39.9 116.0 136.0 79.3 622 281 B Q H X S+ 0 0 87 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.944 107.7 50.2 -63.7 -46.5 117.0 137.8 82.4 623 282 B Q H X S+ 0 0 30 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.770 111.5 50.5 -63.0 -27.5 114.1 136.4 84.5 624 283 B E H X S+ 0 0 2 -4,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.934 109.9 49.3 -75.5 -42.1 115.2 132.9 83.2 625 284 B K H >< S+ 0 0 32 -4,-2.7 3,-0.8 1,-0.2 4,-0.5 0.889 108.8 53.4 -59.4 -42.1 118.8 133.6 84.2 626 285 B D H >X S+ 0 0 78 -4,-2.7 3,-1.6 1,-0.2 4,-0.7 0.897 95.8 67.1 -64.0 -38.5 117.6 134.7 87.7 627 286 B W H >X S+ 0 0 7 -4,-1.4 4,-2.2 1,-0.3 3,-1.2 0.833 87.4 71.1 -53.2 -31.8 115.7 131.5 88.3 628 287 B A H -F 640 0D 17 3,-1.4 3,-0.6 -2,-0.1 2,-0.4 -0.849 30.2 -92.4-130.0 171.7 124.2 119.0 89.7 638 297 B I T 3 S+ 0 0 111 -2,-0.3 -76,-0.1 1,-0.2 3,-0.0 -0.653 111.5 14.0 -84.4 128.9 126.4 116.9 87.3 639 298 B G T 3 S+ 0 0 50 -2,-0.4 2,-0.4 -78,-0.0 -1,-0.2 0.157 124.3 57.3 97.9 -19.2 126.0 118.1 83.7 640 299 B L B < +F 637 0D 0 -3,-0.6 -3,-1.4 4,-0.1 2,-0.3 -0.996 54.9 152.5-149.2 139.5 124.2 121.3 84.6 641 300 B N > - 0 0 44 -2,-0.4 4,-2.5 -5,-0.2 5,-0.2 -0.905 58.2 -83.3-151.8 173.0 125.0 124.3 86.7 642 301 B K H > S+ 0 0 95 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.819 123.3 46.7 -52.1 -39.3 124.2 128.0 86.8 643 302 B D H > S+ 0 0 115 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.938 113.4 44.5 -75.4 -46.4 126.9 129.0 84.3 644 303 B I H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.930 115.2 51.7 -64.8 -42.2 126.1 126.4 81.6 645 304 B L H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.905 107.6 49.8 -61.1 -45.1 122.4 127.1 82.0 646 305 B C H X S+ 0 0 23 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.878 109.0 54.1 -66.8 -28.7 122.8 130.9 81.6 647 306 B Q H X S+ 0 0 79 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.936 107.1 50.8 -64.8 -45.6 124.8 130.2 78.4 648 307 B Y H X S+ 0 0 4 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.942 107.1 53.1 -59.8 -48.1 122.0 128.1 77.1 649 308 B V H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.916 111.9 46.8 -51.5 -47.1 119.4 130.9 77.8 650 309 B E H X S+ 0 0 34 -4,-2.0 4,-2.3 2,-0.2 16,-0.2 0.931 113.8 46.9 -60.3 -48.6 121.6 133.4 75.9 651 310 B Y H X S+ 0 0 55 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.973 115.1 44.7 -55.5 -59.7 122.1 131.0 73.0 652 311 B I H X S+ 0 0 7 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.902 111.2 54.0 -58.2 -43.4 118.4 130.1 72.7 653 312 B T H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 5,-0.3 0.915 107.2 52.0 -58.5 -40.8 117.3 133.8 73.1 654 313 B N H X S+ 0 0 12 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.955 110.2 47.3 -63.9 -43.9 119.5 134.8 70.2 655 314 B I H X S+ 0 0 63 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.942 114.9 46.1 -61.5 -46.5 118.1 132.1 67.8 656 315 B R H X S+ 0 0 32 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.855 114.0 46.6 -68.8 -33.8 114.5 133.0 68.7 657 316 B M H <>S+ 0 0 0 -4,-2.5 5,-3.0 -5,-0.2 3,-0.2 0.893 110.9 54.4 -73.5 -36.9 115.0 136.8 68.4 658 317 B Q H ><5S+ 0 0 128 -4,-2.5 3,-2.3 -5,-0.3 -2,-0.2 0.947 104.8 54.3 -55.1 -49.3 116.8 136.2 65.1 659 318 B A H 3<5S+ 0 0 36 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.799 109.8 45.4 -65.1 -24.0 113.8 134.2 63.8 660 319 B V T 3<5S- 0 0 2 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.205 121.3-109.9-106.1 16.8 111.4 137.1 64.5 661 320 B G T < 5S+ 0 0 31 -3,-2.3 2,-0.2 1,-0.2 -3,-0.2 0.764 70.3 138.2 64.0 33.5 113.9 139.5 62.9 662 321 B L < - 0 0 17 -5,-3.0 -1,-0.2 -6,-0.1 2,-0.2 -0.669 61.9 -91.1 -94.7 160.7 115.0 141.4 66.1 663 322 B D - 0 0 105 -2,-0.2 -1,-0.1 1,-0.1 -5,-0.0 -0.511 45.3-107.5 -72.9 141.1 118.6 142.3 66.8 664 323 B L - 0 0 63 -2,-0.2 -1,-0.1 1,-0.1 -10,-0.1 -0.484 28.1-167.8 -72.2 128.8 120.6 139.8 68.7 665 324 B P + 0 0 32 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.740 64.8 60.3 -87.0 -27.9 121.3 140.9 72.3 666 325 B F S S- 0 0 40 -16,-0.2 2,-0.2 -15,-0.1 3,-0.1 -0.661 93.6 -95.3-105.9 158.5 123.9 138.3 73.3 667 326 B N - 0 0 121 -2,-0.2 -13,-0.1 1,-0.1 -1,-0.1 -0.546 53.9-103.7 -74.5 132.6 127.4 137.5 71.9 668 327 B T + 0 0 112 -2,-0.2 2,-0.3 -4,-0.1 -1,-0.1 -0.275 52.3 155.5 -61.9 138.0 127.1 134.7 69.4 669 328 B R - 0 0 49 -18,-0.1 2,-0.1 -22,-0.1 -3,-0.0 -0.939 42.4 -94.3-151.2 172.3 128.2 131.2 70.4 670 329 B S - 0 0 101 -2,-0.3 -19,-0.1 1,-0.1 3,-0.0 -0.341 65.2 -70.3 -79.2 170.3 127.6 127.5 69.6 671 330 B N - 0 0 19 1,-0.2 -1,-0.1 -2,-0.1 -23,-0.1 -0.532 41.8-151.8 -67.1 123.0 125.1 125.5 71.6 672 331 B P S S+ 0 0 43 0, 0.0 -1,-0.2 0, 0.0 -27,-0.1 0.855 89.6 37.7 -67.0 -37.4 126.6 125.0 75.1 673 332 B I > + 0 0 3 1,-0.1 3,-2.1 -29,-0.1 4,-0.3 -0.546 63.6 168.2-116.7 67.3 124.9 121.7 75.7 674 333 B P G > + 0 0 75 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.804 69.7 76.0 -47.5 -33.9 124.8 119.7 72.3 675 334 B W G > S+ 0 0 61 1,-0.3 3,-2.3 2,-0.2 4,-0.2 0.845 79.3 73.6 -51.0 -29.2 123.6 116.5 74.2 676 335 B I G X> S+ 0 0 0 -3,-2.1 3,-2.4 1,-0.3 4,-1.1 0.791 78.4 74.0 -60.9 -26.0 120.1 118.1 74.5 677 336 B N G <4 S+ 0 0 96 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.673 80.2 72.2 -63.0 -16.0 119.5 117.4 70.7 678 337 B T G <4 S+ 0 0 86 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.688 109.6 33.4 -68.7 -16.3 119.0 113.7 71.5 679 338 B W T <4 S+ 0 0 49 -3,-2.4 2,-0.3 -4,-0.2 -2,-0.2 0.642 108.2 74.3-115.0 -22.8 115.7 114.8 73.1 680 339 B L < 0 0 32 -4,-1.1 -107,-0.1 1,-0.1 -103,-0.0 -0.688 360.0 360.0 -98.9 154.3 114.5 117.7 71.0 681 340 B V 0 0 138 -2,-0.3 -1,-0.1 -108,-0.1 -4,-0.1 0.500 360.0 360.0 -74.5 360.0 113.0 117.8 67.5