==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-JUL-13 4LQX . COMPND 2 MOLECULE: TENA/THI-4 DOMAIN-CONTAINING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 612 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 446 72.9 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 357 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 1 4 0 1 4 0 2 2 3 1 1 3 0 0 0 0 0 0 0 0 0 0 0 2 2 2 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A G 0 0 132 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.6 24.8 30.2 -11.4 2 1 A X - 0 0 81 1,-0.1 11,-0.2 12,-0.0 12,-0.1 -0.589 360.0-119.3 -68.1 115.2 22.8 31.8 -8.5 3 2 A P - 0 0 5 0, 0.0 9,-2.4 0, 0.0 2,-0.3 -0.300 26.1-134.6 -57.8 144.7 24.5 30.8 -5.1 4 3 A L B -A 11 0A 28 7,-0.2 7,-0.2 1,-0.0 6,-0.1 -0.755 21.0-106.7 -95.4 145.4 22.3 28.8 -2.7 5 4 A C > - 0 0 0 5,-3.0 4,-1.6 -2,-0.3 14,-0.0 -0.618 23.0-144.7 -71.9 126.2 22.0 29.6 1.0 6 5 A P T 4 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 269,-0.1 0.587 95.4 39.3 -70.1 -7.6 23.9 26.8 2.8 7 6 A S T 4 S+ 0 0 8 3,-0.1 -2,-0.0 268,-0.0 27,-0.0 0.863 132.1 16.2-101.5 -66.9 21.3 26.9 5.6 8 7 A C T 4 S- 0 0 57 2,-0.1 26,-0.0 1,-0.0 -3,-0.0 0.422 92.9-129.5 -93.7 -3.2 17.7 27.4 4.1 9 8 A E < + 0 0 51 -4,-1.6 2,-0.1 1,-0.2 262,-0.0 0.563 53.5 151.2 63.3 19.2 18.7 26.4 0.5 10 9 A X - 0 0 104 -6,-0.1 -5,-3.0 1,-0.1 2,-0.3 -0.409 44.3-118.9 -69.9 154.2 17.1 29.6 -1.0 11 10 A K B -A 4 0A 130 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.727 27.4-167.1-102.2 144.6 18.7 31.0 -4.3 12 11 A F - 0 0 13 -9,-2.4 6,-0.1 -2,-0.3 3,-0.0 -0.943 29.1-126.9-133.7 152.1 20.4 34.4 -4.7 13 12 A N S S+ 0 0 131 -2,-0.3 2,-0.3 -11,-0.2 -1,-0.1 0.730 89.9 1.9 -70.6 -21.7 21.5 36.5 -7.7 14 13 A S S > S- 0 0 49 -11,-0.1 4,-1.9 -12,-0.1 5,-0.1 -0.937 74.8-101.5-153.4 171.6 25.1 37.0 -6.3 15 14 A W H > S+ 0 0 58 -2,-0.3 4,-2.6 2,-0.2 5,-0.1 0.823 123.4 54.8 -66.4 -35.5 27.4 36.2 -3.4 16 15 A E H > S+ 0 0 78 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.888 107.7 49.2 -62.7 -43.3 26.7 39.8 -2.1 17 16 A D H > S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.889 112.6 46.6 -65.7 -42.5 22.9 39.0 -2.2 18 17 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.923 113.5 49.6 -63.6 -44.6 23.5 35.7 -0.3 19 18 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.897 110.7 50.0 -61.4 -40.9 25.8 37.5 2.2 20 19 A K H X S+ 0 0 122 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.926 113.6 46.5 -60.0 -49.2 23.0 40.2 2.7 21 20 A H H X S+ 0 0 18 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.921 114.4 45.5 -58.1 -54.5 20.4 37.4 3.3 22 21 A X H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.906 114.6 48.5 -60.3 -44.1 22.6 35.4 5.7 23 22 A D H X S+ 0 0 19 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.886 113.1 48.3 -63.2 -42.7 23.6 38.6 7.7 24 23 A L H < S+ 0 0 107 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.937 117.3 40.1 -63.0 -50.0 19.9 39.7 7.8 25 24 A I H >< S+ 0 0 56 -4,-2.6 3,-0.6 1,-0.2 6,-0.4 0.871 114.0 53.0 -68.5 -41.8 18.6 36.3 9.1 26 25 A A H 3< S+ 0 0 10 -4,-2.9 2,-0.8 1,-0.3 -1,-0.2 0.847 102.7 60.6 -65.1 -31.2 21.6 35.7 11.5 27 26 A N T 3< S+ 0 0 95 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.3 -0.374 89.5 92.5 -94.7 51.0 20.9 39.1 13.1 28 27 A T S < S- 0 0 61 -2,-0.8 3,-0.2 -3,-0.6 -3,-0.0 -0.968 76.0-133.4-138.4 141.2 17.4 38.1 14.2 29 28 A N S S+ 0 0 174 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.878 103.1 57.5 -62.1 -44.1 16.4 36.5 17.6 30 29 A S S S+ 0 0 111 2,-0.0 -1,-0.2 -5,-0.0 2,-0.2 0.792 91.5 84.0 -58.9 -39.8 14.2 33.8 16.0 31 30 A D + 0 0 26 -6,-0.4 -3,-0.2 -3,-0.2 0, 0.0 -0.494 33.2 151.3 -76.9 142.8 17.0 32.3 13.8 32 31 A K > + 0 0 164 -2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.527 68.9 64.9-128.5 -41.8 19.6 29.7 15.1 33 32 A S H > S+ 0 0 62 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.851 101.9 44.8 -56.2 -52.5 20.4 27.8 11.9 34 33 A H H > S+ 0 0 11 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.925 115.6 46.2 -67.1 -44.4 22.1 30.7 9.8 35 34 A V H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.906 113.1 50.5 -65.9 -41.0 24.3 32.0 12.7 36 35 A X H X S+ 0 0 79 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.898 110.2 50.7 -64.3 -39.4 25.4 28.3 13.6 37 36 A W H X S+ 0 0 6 -4,-2.1 4,-2.1 2,-0.2 5,-0.4 0.925 112.9 45.1 -60.7 -49.0 26.3 27.7 10.0 38 37 A L H X>S+ 0 0 13 -4,-2.2 4,-2.3 2,-0.2 5,-1.4 0.883 114.2 50.3 -62.4 -40.9 28.4 30.9 9.8 39 38 A N H <5S+ 0 0 40 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.909 116.3 40.5 -63.1 -44.6 30.0 30.0 13.2 40 39 A R H <5S+ 0 0 108 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.771 131.3 22.7 -76.7 -30.1 30.9 26.5 12.2 41 40 A N H <5S+ 0 0 25 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.751 132.2 16.3-112.0 -33.0 32.1 27.3 8.6 42 41 A I T <5S- 0 0 41 -4,-2.3 2,-0.3 -5,-0.4 -3,-0.2 0.806 110.8 -35.2-108.4 -77.3 33.1 30.9 8.2 43 42 A S < - 0 0 31 -5,-1.4 -1,-0.3 1,-0.1 -2,-0.2 -0.989 25.0-138.2-153.2 159.0 33.8 32.9 11.5 44 43 A X S S+ 0 0 145 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.875 91.0 70.7 -80.7 -44.7 32.8 33.4 15.1 45 44 A K S S- 0 0 165 1,-0.1 -2,-0.0 -6,-0.1 2,-0.0 -0.494 96.3-101.4 -77.5 140.8 33.1 37.3 14.8 46 45 A R - 0 0 116 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 -0.311 36.6-157.5 -62.3 143.4 30.5 39.2 12.8 47 46 A X - 0 0 44 -4,-0.1 2,-0.1 -2,-0.0 -1,-0.0 -0.901 19.9-111.5-119.6 152.4 31.5 40.3 9.3 48 47 A E >> - 0 0 151 -2,-0.3 4,-2.4 1,-0.1 3,-0.6 -0.457 42.6-100.1 -77.9 158.1 30.1 43.1 7.1 49 48 A V H 3> S+ 0 0 45 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.851 121.2 52.2 -45.7 -45.8 28.1 42.0 3.9 50 49 A N H 3> S+ 0 0 99 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.833 111.5 43.3 -63.1 -43.7 31.2 42.6 1.6 51 50 A E H <> S+ 0 0 101 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.868 115.5 50.2 -75.9 -29.6 33.7 40.6 3.7 52 51 A L H X S+ 0 0 4 -4,-2.4 4,-3.3 2,-0.2 -2,-0.2 0.904 107.4 54.2 -68.8 -42.4 31.1 37.8 4.1 53 52 A A H X S+ 0 0 1 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.922 113.0 42.7 -56.1 -47.3 30.4 37.8 0.3 54 53 A N H X S+ 0 0 98 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.901 114.8 50.4 -66.6 -41.9 34.1 37.3 -0.4 55 54 A A H X S+ 0 0 25 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.895 113.6 45.5 -63.2 -41.9 34.4 34.7 2.5 56 55 A L H X S+ 0 0 0 -4,-3.3 4,-2.0 2,-0.2 5,-0.2 0.941 112.8 49.7 -66.5 -47.8 31.3 32.7 1.1 57 56 A E H X S+ 0 0 88 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.897 114.8 44.5 -58.3 -45.7 32.6 32.8 -2.5 58 57 A R H X S+ 0 0 143 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.873 110.6 54.7 -65.5 -43.3 36.0 31.6 -1.5 59 58 A F H < S+ 0 0 15 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.855 116.4 36.9 -59.6 -41.0 34.6 28.9 0.9 60 59 A F H < S+ 0 0 5 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.708 123.4 39.0 -89.6 -20.8 32.5 27.3 -1.9 61 60 A S H < S+ 0 0 44 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.631 93.1 99.9-106.9 -10.6 34.8 27.7 -4.9 62 61 A T S < S+ 0 0 61 -4,-1.9 2,-0.2 -5,-0.2 -1,-0.2 -0.983 81.1 32.2-128.5 124.8 38.2 27.0 -3.4 63 62 A P S S- 0 0 28 0, 0.0 6,-0.1 0, 0.0 -1,-0.0 0.573 83.6-156.6 -60.3 153.9 39.5 24.2 -3.7 64 63 A N S S+ 0 0 126 -2,-0.2 2,-0.3 4,-0.1 -2,-0.1 0.854 72.7 82.7 -71.9 -39.8 37.9 23.9 -7.2 65 64 A S S > S- 0 0 38 1,-0.1 4,-2.6 2,-0.0 5,-0.1 -0.553 75.5-145.7 -67.6 125.8 38.0 20.0 -7.1 66 65 A L H > S+ 0 0 3 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.912 100.1 52.8 -62.6 -42.0 35.0 18.7 -5.1 67 66 A S H > S+ 0 0 19 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 114.3 42.2 -56.5 -46.3 37.0 15.8 -3.8 68 67 A X H > S+ 0 0 66 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.850 113.7 53.6 -70.2 -35.4 39.7 18.2 -2.6 69 68 A W H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.906 109.5 46.7 -66.9 -44.5 37.0 20.6 -1.3 70 69 A I H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.947 115.5 47.4 -63.2 -46.3 35.3 17.9 0.8 71 70 A R H X S+ 0 0 14 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.911 113.7 46.3 -59.4 -49.1 38.7 16.9 2.2 72 71 A T H X S+ 0 0 40 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.921 115.1 46.4 -63.8 -45.3 39.8 20.5 3.0 73 72 A R H X S+ 0 0 15 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.880 111.6 52.2 -65.3 -38.7 36.5 21.4 4.7 74 73 A F H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.5 0.917 110.1 48.0 -61.3 -48.2 36.5 18.1 6.7 75 74 A I H X S+ 0 0 13 -4,-2.2 4,-2.2 1,-0.2 141,-0.2 0.914 112.9 48.8 -60.6 -44.5 40.1 18.8 8.0 76 75 A E H < S+ 0 0 102 -4,-2.2 4,-0.3 1,-0.2 6,-0.3 0.849 115.7 44.6 -64.8 -36.9 39.1 22.4 8.9 77 76 A R H < S+ 0 0 38 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.906 132.9 12.1 -73.5 -49.1 36.0 21.1 10.7 78 77 A F H < S+ 0 0 0 -4,-2.8 6,-2.1 -5,-0.1 -3,-0.2 0.697 135.7 33.4-106.2 -26.3 37.4 18.1 12.7 79 78 A Y S < S+ 0 0 3 -4,-2.2 137,-2.6 -5,-0.5 138,-0.2 -0.066 94.7 106.0-125.9 28.7 41.2 18.4 12.5 80 79 A G S S- 0 0 13 -4,-0.3 136,-0.1 2,-0.3 -4,-0.1 0.237 95.2 -53.3 -87.6-150.6 41.8 22.1 12.5 81 80 A D S S+ 0 0 148 1,-0.3 -4,-0.1 -5,-0.2 -5,-0.0 0.884 140.5 34.5 -59.4 -38.6 43.0 24.6 15.1 82 81 A N S S- 0 0 150 -6,-0.3 -2,-0.3 -5,-0.1 -1,-0.3 -0.824 90.3-158.3-119.1 84.3 40.3 23.3 17.5 83 82 A P - 0 0 27 0, 0.0 -4,-0.2 0, 0.0 -5,-0.1 -0.230 37.0 -79.6 -62.3 155.2 40.0 19.5 16.7 84 83 A H >> - 0 0 11 -6,-2.1 4,-2.2 1,-0.1 3,-0.6 -0.292 38.2-124.0 -55.7 134.3 36.9 17.7 17.7 85 84 A P H 3> S+ 0 0 55 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.802 112.7 54.4 -50.6 -33.5 36.8 16.8 21.5 86 85 A F H 3> S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.913 108.5 47.8 -66.3 -43.2 36.3 13.1 20.6 87 86 A I H <> S+ 0 0 0 -3,-0.6 4,-0.7 2,-0.2 -1,-0.2 0.886 111.0 51.3 -64.7 -39.4 39.4 13.1 18.3 88 87 A V H >< S+ 0 0 78 -4,-2.2 3,-0.9 1,-0.2 4,-0.4 0.925 114.1 44.2 -61.1 -45.3 41.5 14.9 21.1 89 88 A A H 3< S+ 0 0 19 -4,-2.1 3,-0.4 1,-0.2 5,-0.2 0.763 107.7 60.5 -68.3 -30.1 40.3 12.1 23.5 90 89 A X H 3< S+ 0 0 0 -4,-1.8 131,-0.4 1,-0.2 -1,-0.2 0.596 81.7 84.2 -75.3 -15.8 41.0 9.4 20.8 91 90 A Q S << S+ 0 0 29 -3,-0.9 130,-2.5 -4,-0.7 -1,-0.2 0.944 118.9 0.3 -53.6 -54.6 44.7 10.4 20.7 92 91 A N S S- 0 0 86 -4,-0.4 -1,-0.3 -3,-0.4 2,-0.2 -0.877 97.8-155.3-134.8 85.4 45.5 8.1 23.7 93 92 A P - 0 0 4 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 -0.504 7.7-141.5 -80.2 144.3 42.2 6.6 24.6 94 93 A T > - 0 0 31 -5,-0.2 4,-2.1 -2,-0.2 5,-0.2 -0.334 38.2 -97.8 -81.4 173.0 41.0 5.3 27.9 95 94 A K H > S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.871 127.7 53.3 -57.4 -39.7 38.7 2.2 28.3 96 95 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.867 106.6 49.5 -65.9 -42.8 35.8 4.7 28.5 97 96 A V H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.927 115.2 45.0 -60.0 -48.7 36.7 6.5 25.3 98 97 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.855 114.3 47.7 -68.0 -36.3 36.9 3.2 23.5 99 98 A L H X S+ 0 0 9 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.828 109.6 53.1 -73.4 -33.7 33.7 1.8 25.0 100 99 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-0.3 0.902 109.7 49.8 -64.0 -41.6 31.8 5.0 24.2 101 100 A Y H X S+ 0 0 13 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.968 113.3 45.8 -57.8 -56.9 33.1 4.5 20.6 102 101 A V H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.882 113.8 48.6 -53.5 -49.5 31.8 0.8 20.6 103 102 A I H X S+ 0 0 3 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.921 120.5 32.2 -65.5 -49.1 28.4 1.7 22.1 104 103 A E H >X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 3,-0.6 0.836 114.9 58.6 -80.5 -30.0 27.4 4.5 19.9 105 104 A H H 3X S+ 0 0 20 -4,-2.6 4,-3.0 -5,-0.3 -1,-0.2 0.748 93.3 66.2 -73.1 -23.2 29.1 3.3 16.7 106 105 A Q H 3X S+ 0 0 3 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.885 107.3 42.7 -61.6 -37.0 27.1 -0.0 16.7 107 106 A H H - 0 0 49 1,-0.1 4,-2.1 2,-0.0 5,-0.1 -0.918 62.2-154.8-109.7 123.1 25.0 4.3 -12.2 126 125 A D H > S+ 0 0 82 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 0.880 96.2 52.8 -65.2 -40.7 26.5 0.7 -12.4 127 126 A D H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.854 111.6 47.7 -63.5 -34.6 29.9 1.7 -10.9 128 127 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.917 113.5 47.3 -69.5 -44.7 28.1 3.4 -7.9 129 128 A L H X S+ 0 0 9 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.926 114.2 46.7 -62.2 -48.3 25.8 0.3 -7.5 130 129 A Q H X S+ 0 0 87 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.915 113.4 49.8 -57.3 -47.1 28.9 -2.1 -7.7 131 130 A Y H X S+ 0 0 16 -4,-2.1 4,-1.6 1,-0.2 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0.671 100.6-124.1-104.9 -26.2 30.5 -10.6 5.7 142 141 A G << - 0 0 4 -4,-1.2 2,-0.4 -5,-0.7 3,-0.2 -0.219 29.8 -71.4 98.2 170.2 34.0 -8.9 6.1 143 142 A Y S > S- 0 0 126 4,-0.5 3,-1.1 1,-0.2 -5,-0.0 -0.909 97.9 -13.6-112.5 130.8 36.9 -8.5 3.7 144 143 A N T 3 S- 0 0 138 -2,-0.4 2,-0.6 1,-0.3 -1,-0.2 0.928 129.5 -45.9 47.3 62.3 39.3 -11.4 2.6 145 144 A G T 3 S+ 0 0 89 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.0 -0.141 111.6 121.2 82.0 -36.6 38.3 -13.9 5.2 146 145 A R S < S- 0 0 88 -3,-1.1 -1,-0.2 -2,-0.6 -2,-0.0 -0.074 71.4 -96.0 -56.3 151.3 38.4 -11.3 8.1 147 146 A P - 0 0 41 0, 0.0 -4,-0.5 0, 0.0 -5,-0.2 -0.249 49.3 -90.3 -63.4 161.0 35.3 -10.6 10.3 148 147 A A > - 0 0 8 -8,-0.3 4,-2.4 -6,-0.2 5,-0.2 -0.319 35.3-108.3 -69.9 158.4 33.1 -7.5 9.4 149 148 A H H > S+ 0 0 36 -11,-0.3 4,-2.2 1,-0.2 5,-0.1 0.864 121.6 54.3 -52.7 -41.5 33.8 -4.1 10.9 150 149 A Y H > S+ 0 0 58 -11,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.889 108.9 45.7 -60.4 -48.9 30.7 -4.5 13.0 151 150 A E H > S+ 0 0 46 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.917 112.1 52.3 -62.8 -42.9 31.8 -7.9 14.5 152 151 A L H X S+ 0 0 10 -4,-2.4 4,-1.7 1,-0.2 85,-0.2 0.870 108.9 51.3 -60.7 -37.3 35.3 -6.4 15.1 153 152 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.925 110.7 46.8 -65.4 -46.7 33.7 -3.5 17.0 154 153 A L H X S+ 0 0 3 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.907 111.6 51.8 -61.2 -42.3 31.6 -5.9 19.2 155 154 A R H X S+ 0 0 114 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.820 106.8 54.6 -62.6 -34.2 34.8 -7.9 19.8 156 155 A X H X S+ 0 0 0 -4,-1.7 4,-1.1 77,-0.2 -2,-0.2 0.935 109.7 46.1 -65.4 -45.8 36.6 -4.7 20.8 157 156 A G H <>S+ 0 0 0 -4,-1.9 5,-2.4 2,-0.2 3,-0.4 0.896 111.9 51.1 -61.3 -45.3 33.9 -3.9 23.5 158 157 A E H ><5S+ 0 0 76 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.903 108.3 52.2 -59.8 -42.5 34.0 -7.6 24.7 159 158 A A H 3<5S+ 0 0 46 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.767 105.5 56.1 -65.2 -26.6 37.8 -7.2 25.1 160 159 A L T 3<5S- 0 0 13 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.317 129.2 -96.4 -88.7 5.9 37.3 -4.0 27.1 161 160 A G T < 5S+ 0 0 55 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.403 88.3 119.7 96.8 1.5 35.1 -6.0 29.6 162 161 A X < - 0 0 21 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.2 -0.871 60.6-131.6-101.7 114.3 31.6 -5.2 28.3 163 162 A P >> - 0 0 79 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.301 20.2-116.6 -62.0 148.5 29.7 -8.4 27.2 164 163 A R H 3> S+ 0 0 70 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.800 113.4 60.7 -50.6 -42.4 28.0 -8.3 23.7 165 164 A E H 3> S+ 0 0 161 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.874 107.9 43.8 -55.1 -45.2 24.5 -8.7 25.4 166 165 A K H <> S+ 0 0 113 -3,-0.8 4,-0.6 2,-0.2 -2,-0.2 0.906 113.4 51.2 -71.1 -41.3 25.0 -5.4 27.3 167 166 A I H >< S+ 0 0 0 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.950 113.0 45.3 -57.3 -53.0 26.5 -3.5 24.2 168 167 A L H 3< S+ 0 0 77 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.715 110.0 53.7 -67.0 -25.3 23.5 -4.6 22.0 169 168 A S H 3< S+ 0 0 81 -4,-1.2 2,-0.7 -5,-0.2 -1,-0.3 0.525 84.5 102.6 -88.9 -5.9 20.8 -3.7 24.6 170 169 A T << - 0 0 25 -3,-1.2 3,-0.1 -4,-0.6 -4,-0.0 -0.717 69.9-139.9 -84.6 113.2 22.2 -0.2 25.0 171 170 A Q - 0 0 139 -2,-0.7 -2,-0.1 1,-0.1 -64,-0.0 -0.313 30.6 -93.6 -63.4 147.4 19.9 2.3 23.1 172 171 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -68,-0.1 -0.257 44.8-101.9 -62.1 155.3 21.7 5.1 21.2 173 172 A L >> - 0 0 12 1,-0.1 4,-2.1 -3,-0.1 3,-1.0 -0.404 38.4-102.0 -69.0 157.2 22.1 8.4 23.1 174 173 A P H 3> S+ 0 0 97 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.840 124.5 51.8 -49.8 -35.4 19.6 11.2 22.0 175 174 A S H 3> S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.779 107.4 50.8 -73.7 -28.9 22.4 12.9 19.9 176 175 A T H <> S+ 0 0 0 -3,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.954 113.3 46.9 -70.1 -44.1 23.2 9.6 18.1 177 176 A Q H X S+ 0 0 94 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.884 112.1 49.9 -59.5 -45.7 19.4 9.3 17.3 178 177 A S H X S+ 0 0 45 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.942 113.2 45.8 -59.2 -49.2 19.3 12.9 16.2 179 178 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.912 112.6 50.5 -62.1 -45.1 22.3 12.4 13.8 180 179 A I H X S+ 0 0 30 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.905 109.1 52.7 -60.3 -40.4 20.9 9.0 12.5 181 180 A K H X S+ 0 0 162 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.882 108.2 50.7 -63.3 -40.8 17.5 10.9 11.8 182 181 A T H X S+ 0 0 48 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.938 113.5 44.1 -62.4 -50.1 19.4 13.6 9.8 183 182 A W H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.904 113.4 51.6 -63.8 -41.8 21.3 11.0 7.6 184 183 A R H X S+ 0 0 53 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.918 110.7 48.0 -60.5 -44.2 18.0 9.0 7.2 185 184 A K H X S+ 0 0 123 -4,-2.6 4,-3.0 2,-0.2 5,-0.4 0.852 110.3 52.1 -67.4 -35.3 16.2 12.2 6.0 186 185 A I H X S+ 0 0 14 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.945 112.7 45.9 -61.4 -48.0 19.1 13.0 3.6 187 186 A A H < S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.860 118.2 43.6 -63.4 -36.0 18.7 9.4 2.2 188 187 A E H < S+ 0 0 95 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.914 128.0 23.0 -72.9 -49.8 14.9 9.8 2.0 189 188 A S H < S+ 0 0 64 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.684 110.0 66.2-100.7 -23.2 14.6 13.3 0.5 190 189 A K S < S- 0 0 56 -4,-2.6 2,-0.1 -5,-0.4 -4,-0.0 -0.320 90.3 -81.6 -96.4 178.9 17.9 14.1 -1.3 191 190 A T > - 0 0 58 1,-0.1 4,-2.1 -2,-0.1 3,-0.2 -0.455 37.9-113.8 -75.3 154.6 19.4 12.6 -4.5 192 191 A W H > S+ 0 0 24 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.808 119.4 57.4 -56.2 -32.2 21.5 9.3 -4.2 193 192 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 107.2 45.8 -66.0 -46.1 24.5 11.5 -5.2 194 193 A E H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.866 113.3 50.5 -60.6 -42.4 24.0 13.8 -2.2 195 194 A T H X S+ 0 0 1 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.895 110.5 49.7 -64.0 -42.8 23.5 10.8 0.0 196 195 A X H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.898 114.1 44.2 -62.6 -46.3 26.7 9.2 -1.3 197 196 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.909 111.7 54.7 -64.9 -43.1 28.8 12.3 -0.7 198 197 A S H < S+ 0 0 0 -4,-2.5 4,-0.3 -5,-0.2 -2,-0.2 0.801 118.0 33.5 -59.9 -37.3 27.1 12.8 2.8 199 198 A X H >< S+ 0 0 1 -4,-1.7 3,-1.2 2,-0.1 4,-0.5 0.923 118.2 46.4 -88.9 -51.3 28.1 9.3 4.0 200 199 A H H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.3 4,-0.3 0.767 101.8 66.8 -69.0 -21.9 31.5 8.6 2.3 201 200 A S G >< S+ 0 0 0 -4,-1.6 3,-1.3 -5,-0.3 -1,-0.3 0.823 93.5 62.0 -64.3 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211 A K G < 5S+ 0 0 180 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.701 105.5 45.9 -71.4 -24.3 49.6 15.3 4.7 213 212 A Y G < 5S- 0 0 116 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.161 137.4 -82.2-103.8 11.2 47.0 17.8 3.8 214 213 A G T < 5 + 0 0 40 -3,-1.0 -3,-0.2 1,-0.3 -2,-0.1 0.464 68.5 160.0 102.5 3.0 47.4 19.7 7.2 215 214 A A < - 0 0 8 -5,-2.1 -1,-0.3 1,-0.2 -135,-0.2 -0.348 36.5-143.5 -54.7 132.2 45.3 17.7 9.8 216 215 A K S S+ 0 0 136 -137,-2.6 -1,-0.2 -141,-0.2 -136,-0.1 0.665 78.3 21.4 -77.5 -14.6 46.7 18.8 13.1 217 216 A L S S- 0 0 48 -138,-0.2 -1,-0.1 4,-0.0 2,-0.1 -0.990 76.8-116.8-144.6 156.1 46.3 15.3 14.6 218 217 A P - 0 0 48 0, 0.0 3,-0.1 0, 0.0 -10,-0.1 -0.330 44.0-101.3 -79.9 177.0 45.9 11.7 13.5 219 218 A Y S S- 0 0 17 1,-0.2 2,-0.3 -2,-0.1 -129,-0.1 0.912 102.2 -17.6 -60.2 -42.3 42.6 9.9 14.3 220 219 A F S S- 0 0 10 -14,-0.1 -129,-0.2 18,-0.0 -1,-0.2 -0.928 94.0 -69.9-152.7 165.9 44.5 8.2 17.2 221 220 A N > - 0 0 48 -130,-2.5 3,-2.0 -131,-0.4 4,-0.3 -0.479 41.2-143.1 -62.0 117.4 48.2 7.7 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-49.6 -49.3 -23.5 -8.2 -6.2 359 49 B N H > S+ 0 0 92 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.886 112.8 52.7 -67.7 -35.6 -24.2 -10.5 -3.2 360 50 B E H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.951 114.1 43.7 -58.3 -49.7 -22.8 -13.6 -5.1 361 51 B L H X S+ 0 0 7 -4,-2.8 4,-3.2 2,-0.2 -2,-0.2 0.854 108.4 58.3 -62.8 -43.0 -19.6 -11.5 -5.7 362 52 B A H X S+ 0 0 6 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.896 110.9 41.9 -57.2 -44.4 -19.5 -10.2 -2.1 363 53 B N H X S+ 0 0 109 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.896 114.5 51.9 -69.2 -41.7 -19.3 -13.8 -0.8 364 54 B A H X S+ 0 0 24 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.893 111.2 47.5 -61.4 -42.1 -16.8 -14.7 -3.5 365 55 B L H X S+ 0 0 0 -4,-3.2 4,-1.8 2,-0.2 -2,-0.2 0.927 112.6 48.4 -66.3 -45.8 -14.6 -11.7 -2.5 366 56 B E H X S+ 0 0 85 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.910 113.6 46.6 -60.0 -45.8 -14.8 -12.5 1.2 367 57 B R H X S+ 0 0 172 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.841 110.1 55.5 -65.2 -36.3 -13.9 -16.3 0.6 368 58 B F H < S+ 0 0 16 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.848 114.7 36.1 -67.1 -38.9 -11.0 -15.2 -1.7 369 59 B F H < S+ 0 0 6 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.776 122.0 43.4 -89.8 -20.1 -9.3 -13.0 0.9 370 60 B S H < S+ 0 0 40 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.600 92.5 101.0 -98.9 -10.2 -10.0 -15.1 4.0 371 61 B T S < S+ 0 0 66 -4,-1.4 2,-0.2 -5,-0.2 -1,-0.1 -0.985 81.2 30.1-128.5 125.5 -9.2 -18.7 2.6 372 62 B P S S- 0 0 29 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.603 85.9-155.4 -63.1 154.4 -6.6 -20.1 3.2 373 63 B N S S+ 0 0 125 -2,-0.2 2,-0.3 4,-0.1 -2,-0.1 0.857 72.0 81.3 -70.3 -42.0 -6.4 -18.2 6.6 374 64 B S S > S- 0 0 36 1,-0.1 4,-2.7 2,-0.0 5,-0.1 -0.550 74.4-146.2 -69.8 126.2 -2.6 -18.4 7.0 375 65 B L H > S+ 0 0 4 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.905 100.4 52.8 -62.4 -41.5 -1.0 -15.6 4.8 376 66 B S H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 114.6 42.3 -56.8 -45.9 2.0 -17.8 4.0 377 67 B X H > S+ 0 0 68 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.850 112.9 53.3 -70.1 -39.2 -0.4 -20.6 2.8 378 68 B W H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.918 111.0 46.2 -61.9 -47.0 -2.7 -18.0 1.0 379 69 B I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.954 114.7 47.5 -60.8 -52.1 0.4 -16.6 -1.0 380 70 B R H X S+ 0 0 13 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.903 114.1 47.1 -54.3 -48.9 1.5 -20.2 -1.8 381 71 B T H X S+ 0 0 39 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.906 113.3 47.2 -64.4 -45.7 -2.0 -21.2 -2.9 382 72 B R H X S+ 0 0 20 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.886 111.1 52.5 -64.7 -37.3 -2.6 -18.1 -5.1 383 73 B F H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.5 0.930 111.4 45.7 -63.1 -47.2 0.9 -18.5 -6.7 384 74 B I H X S+ 0 0 10 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.934 112.0 52.0 -61.8 -46.2 0.2 -22.2 -7.7 385 75 B E H X S+ 0 0 111 -4,-2.4 4,-0.5 1,-0.2 6,-0.3 0.935 116.6 40.6 -56.7 -46.4 -3.3 -21.2 -9.0 386 76 B R H < S+ 0 0 52 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.901 133.6 15.1 -67.6 -51.8 -1.8 -18.5 -11.1 387 77 B F H < S+ 0 0 0 -4,-3.1 6,-1.9 -5,-0.1 -3,-0.2 0.706 135.0 30.0-103.8 -24.2 1.4 -20.2 -12.5 388 78 B Y H < S+ 0 0 2 -4,-2.5 137,-2.6 -5,-0.5 138,-0.2 0.007 96.5 101.6-127.2 26.1 1.1 -24.0 -11.8 389 79 B G S < S- 0 0 6 -4,-0.5 136,-0.1 2,-0.3 -4,-0.1 0.269 96.9 -50.5 -88.3-147.5 -2.7 -24.5 -12.0 390 80 B D S S+ 0 0 153 1,-0.3 -4,-0.1 -5,-0.2 -5,-0.1 0.874 140.5 34.6 -59.8 -38.3 -5.0 -25.9 -14.7 391 81 B N S S- 0 0 144 -6,-0.3 -2,-0.3 -5,-0.0 -1,-0.3 -0.815 89.5-159.3-118.7 83.8 -3.4 -23.5 -17.2 392 82 B P - 0 0 24 0, 0.0 -4,-0.2 0, 0.0 -5,-0.1 -0.252 36.7 -81.3 -63.2 155.3 0.3 -23.3 -16.2 393 83 B H >> - 0 0 10 -6,-1.9 4,-2.2 1,-0.1 3,-0.6 -0.306 36.7-124.5 -56.9 134.0 2.3 -20.2 -17.4 394 84 B P H 3> S+ 0 0 49 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.796 112.5 54.9 -51.0 -32.6 3.5 -20.7 -21.1 395 85 B F H 3> S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.909 108.3 47.8 -66.3 -43.0 7.1 -20.1 -19.9 396 86 B I H <> S+ 0 0 0 -3,-0.6 4,-0.7 2,-0.2 -1,-0.2 0.894 110.9 51.3 -64.8 -39.9 6.8 -22.9 -17.3 397 87 B V H >< S+ 0 0 79 -4,-2.2 3,-0.8 1,-0.2 4,-0.4 0.926 114.2 44.0 -61.0 -44.6 5.3 -25.2 -20.0 398 88 B A H 3< S+ 0 0 16 -4,-2.1 3,-0.3 1,-0.2 5,-0.2 0.761 107.6 60.6 -69.0 -30.5 8.4 -24.3 -22.3 399 89 B X H 3< S+ 0 0 0 -4,-1.8 131,-0.4 1,-0.2 -1,-0.2 0.605 81.8 84.2 -74.5 -16.4 10.8 -24.7 -19.3 400 90 B Q S << S+ 0 0 28 -3,-0.8 130,-2.5 -4,-0.7 -1,-0.2 0.945 118.8 0.7 -53.7 -54.3 9.7 -28.4 -18.8 401 91 B N S S- 0 0 96 -4,-0.4 -1,-0.3 -3,-0.3 2,-0.2 -0.877 97.2-156.0-134.6 86.3 12.3 -29.6 -21.5 402 92 B P - 0 0 4 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 -0.528 7.5-142.4 -81.2 143.3 13.9 -26.3 -22.6 403 93 B T > - 0 0 39 -2,-0.2 4,-2.1 -5,-0.2 5,-0.2 -0.310 38.6 -97.0 -81.9 172.7 15.6 -25.5 -25.9 404 94 B K H > S+ 0 0 112 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.878 128.1 53.2 -57.3 -39.3 18.8 -23.3 -26.2 405 95 B G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.856 106.6 49.4 -65.6 -42.4 16.3 -20.4 -27.0 406 96 B V H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.929 115.2 45.1 -61.2 -47.9 14.2 -20.9 -23.9 407 97 B L H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.848 114.7 47.0 -68.8 -34.9 17.3 -21.0 -21.7 408 98 B L H X S+ 0 0 5 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.823 109.6 53.9 -74.7 -35.5 18.9 -17.9 -23.5 409 99 B G H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.911 110.1 48.7 -59.4 -42.4 15.5 -16.1 -23.2 410 100 B Y H X S+ 0 0 12 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.965 113.7 46.1 -59.9 -56.4 15.8 -16.9 -19.4 411 101 B V H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.893 114.1 48.0 -53.4 -51.2 19.4 -15.6 -19.2 412 102 B I H X S+ 0 0 4 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.918 120.5 33.1 -63.8 -51.3 18.8 -12.4 -21.2 413 103 B E H >X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 3,-0.7 0.867 115.5 57.5 -75.7 -33.1 15.6 -11.2 -19.4 414 104 B H H 3X S+ 0 0 19 -4,-2.7 4,-3.1 -5,-0.3 -2,-0.2 0.733 93.7 66.4 -72.3 -22.7 16.7 -12.5 -15.9 415 105 B Q H 3X S+ 0 0 3 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.887 107.2 42.6 -61.2 -37.9 20.0 -10.5 -15.9 416 106 B H H - 0 0 51 1,-0.1 4,-2.1 2,-0.0 5,-0.1 -0.914 62.0-155.5-109.2 122.4 13.0 -5.1 12.1 435 125 B D H > S+ 0 0 80 -2,-0.5 4,-2.9 2,-0.2 5,-0.2 0.875 96.0 53.3 -66.0 -38.6 16.5 -6.5 12.7 436 126 B D H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.852 111.4 47.6 -64.2 -34.4 15.6 -10.1 11.6 437 127 B V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.914 113.3 47.7 -70.1 -44.4 14.3 -8.6 8.3 438 128 B L H X S+ 0 0 8 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.923 113.9 46.6 -62.3 -48.3 17.4 -6.5 7.9 439 129 B Q H X S+ 0 0 73 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.918 113.4 49.9 -57.8 -46.3 19.7 -9.5 8.6 440 130 B Y H X S+ 0 0 5 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.925 114.6 42.9 -59.0 -51.9 17.7 -11.8 6.2 441 131 B E H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.793 111.4 53.3 -69.1 -35.3 17.8 -9.2 3.3 442 132 B L H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.891 109.4 50.4 -66.2 -38.6 21.5 -8.3 3.8 443 133 B E H X S+ 0 0 85 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.904 112.8 48.2 -58.7 -45.8 22.3 -12.2 3.6 444 134 B N H X S+ 0 0 12 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.881 113.3 44.4 -61.9 -49.0 20.3 -12.3 0.4 445 135 B I H X S+ 0 0 1 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.899 113.4 51.5 -64.3 -46.6 21.9 -9.2 -1.2 446 136 B S H X>S+ 0 0 5 -4,-2.5 4,-3.1 1,-0.2 5,-0.9 0.887 111.2 47.4 -58.5 -42.7 25.4 -10.5 -0.2 447 137 B V H <5S+ 0 0 41 -4,-2.2 11,-0.5 1,-0.2 -1,-0.2 0.806 111.4 51.8 -72.3 -28.6 24.7 -13.9 -1.7 448 138 B E H <5S+ 0 0 31 -4,-1.5 11,-0.4 9,-0.2 -1,-0.2 0.722 120.5 35.7 -77.0 -18.9 23.4 -12.2 -4.9 449 139 B F H <5S+ 0 0 44 -4,-1.2 8,-0.2 -3,-0.3 -2,-0.2 0.879 136.0 9.1-100.4 -57.5 26.7 -10.1 -5.0 450 140 B I T <5S- 0 0 76 -4,-3.1 4,-0.3 1,-0.2 -3,-0.2 0.499 101.5-124.3-105.7 -8.5 29.8 -12.1 -3.9 451 141 B G < - 0 0 6 -5,-0.9 2,-0.8 -4,-0.2 3,-0.2 -0.126 43.9 -48.2 85.3 174.2 28.1 -15.6 -3.7 452 142 B Y S > S- 0 0 151 4,-0.4 3,-1.8 1,-0.2 -5,-0.0 -0.770 106.4 -40.6 -89.9 106.8 27.9 -18.0 -0.7 453 143 B N T 3 S- 0 0 149 -2,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.804 126.7 -30.5 44.0 57.1 31.4 -18.5 0.9 454 144 B G T 3 S+ 0 0 81 1,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.048 112.2 115.0 97.6 -24.8 33.6 -18.6 -2.2 455 145 B R S < S- 0 0 133 -3,-1.8 -1,-0.4 1,-0.1 2,-0.1 -0.397 77.5 -94.6 -71.1 154.0 30.9 -20.2 -4.5 456 146 B P - 0 0 44 0, 0.0 -4,-0.4 0, 0.0 -5,-0.2 -0.394 40.1-105.0 -74.5 156.3 29.7 -17.9 -7.4 457 147 B A > - 0 0 8 -8,-0.2 4,-2.4 -6,-0.2 3,-0.2 -0.327 30.5-109.1 -69.7 156.9 26.7 -15.6 -7.1 458 148 B H H > S+ 0 0 34 -11,-0.5 4,-2.2 1,-0.2 5,-0.1 0.862 121.4 55.5 -55.2 -37.6 23.4 -16.5 -8.9 459 149 B Y H > S+ 0 0 59 -11,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.896 108.6 45.1 -61.1 -48.3 24.0 -13.6 -11.3 460 150 B E H > S+ 0 0 47 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.915 112.3 52.4 -63.1 -43.2 27.5 -14.9 -12.2 461 151 B L H X S+ 0 0 14 -4,-2.4 4,-1.7 1,-0.2 85,-0.2 0.869 109.2 51.0 -60.2 -37.5 26.1 -18.5 -12.6 462 152 B L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.923 110.9 46.8 -65.7 -47.0 23.4 -17.0 -15.0 463 153 B L H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.908 111.8 51.4 -61.1 -42.6 26.0 -15.2 -17.1 464 154 B R H X S+ 0 0 114 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.823 107.1 54.8 -62.6 -33.7 28.1 -18.5 -17.2 465 155 B X H X S+ 0 0 0 -4,-1.7 4,-1.1 77,-0.2 -2,-0.2 0.932 109.7 46.0 -65.5 -45.9 24.9 -20.3 -18.4 466 156 B G H <>S+ 0 0 0 -4,-2.0 5,-2.4 2,-0.2 3,-0.5 0.900 111.7 51.2 -62.1 -44.5 24.5 -17.9 -21.3 467 157 B E H ><5S+ 0 0 76 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.898 108.3 52.5 -60.0 -41.8 28.2 -18.2 -22.2 468 158 B A H 3<5S+ 0 0 45 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.763 105.4 55.9 -65.3 -26.3 27.8 -22.0 -22.2 469 159 B L T 3<5S- 0 0 13 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.335 129.2 -96.8 -89.2 5.6 24.9 -21.6 -24.6 470 160 B G T < 5S+ 0 0 57 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.419 87.9 120.1 97.2 0.7 27.1 -19.7 -27.1 471 161 B X < - 0 0 24 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.2 -0.876 60.5-131.3-101.2 114.5 26.2 -16.1 -26.2 472 162 B P >> - 0 0 80 0, 0.0 4,-1.8 0, 0.0 3,-0.8 -0.304 20.5-116.9 -61.9 147.0 29.3 -14.1 -25.0 473 163 B R H 3> S+ 0 0 68 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.802 113.7 60.3 -48.7 -42.7 28.8 -12.1 -21.7 474 164 B E H 3> S+ 0 0 159 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.876 108.0 44.1 -55.1 -45.7 29.4 -8.7 -23.7 475 165 B K H <> S+ 0 0 115 -3,-0.8 4,-0.7 2,-0.2 -2,-0.2 0.900 113.0 51.6 -70.5 -41.6 26.3 -9.5 -25.9 476 166 B I H >< S+ 0 0 0 -4,-1.8 3,-1.1 1,-0.2 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286 B R H X S+ 0 0 3 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.930 113.6 42.2 -60.6 -46.2 11.6 -14.6 -21.1 597 287 B L H X S+ 0 0 5 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.898 112.7 51.4 -68.3 -45.3 9.5 -16.7 -23.6 598 288 B E H X S+ 0 0 62 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.857 106.6 54.8 -66.9 -28.0 9.2 -14.0 -26.2 599 289 B R H X S+ 0 0 22 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.905 106.7 53.2 -65.9 -36.9 13.0 -13.5 -26.1 600 290 B G H X S+ 0 0 0 -4,-1.3 4,-3.0 1,-0.2 -2,-0.2 0.850 104.5 54.6 -62.1 -36.8 13.2 -17.3 -26.8 601 291 B F H < S+ 0 0 43 -4,-1.5 -1,-0.2 2,-0.2 7,-0.2 0.846 104.1 54.8 -63.5 -42.2 10.9 -16.7 -29.9 602 292 B E H < S+ 0 0 130 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.846 117.3 36.0 -60.0 -41.2 13.3 -14.0 -31.2 603 293 B I H < S+ 0 0 62 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.846 128.8 33.5 -79.4 -43.0 16.2 -16.6 -31.0 604 294 B E >X - 0 0 37 -4,-3.0 3,-1.1 -5,-0.1 4,-1.1 -0.854 55.5-175.4-123.9 99.5 14.0 -19.7 -32.1 605 295 B P H 3> S+ 0 0 85 0, 0.0 4,-1.9 0, 0.0 3,-0.3 0.852 88.8 61.2 -58.0 -34.3 11.1 -19.2 -34.5 606 296 B S H 3> S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.797 97.7 59.3 -62.9 -28.8 10.2 -23.0 -34.0 607 297 B L H <> S+ 0 0 4 -3,-1.1 4,-2.1 -7,-0.2 -1,-0.2 0.919 106.3 45.8 -68.0 -42.8 9.6 -22.2 -30.3 608 298 B L H X S+ 0 0 67 -4,-1.1 4,-2.1 -3,-0.3 -2,-0.2 0.943 113.4 50.6 -60.6 -49.4 6.9 -19.6 -31.2 609 299 B K H X S+ 0 0 137 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.847 111.4 47.9 -58.3 -38.9 5.3 -22.0 -33.7 610 300 B R H >< S+ 0 0 108 -4,-2.1 3,-0.5 2,-0.2 -1,-0.2 0.910 110.6 49.9 -69.6 -45.4 5.3 -24.8 -31.1 611 301 B V H 3< S+ 0 0 65 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.855 119.1 38.2 -63.1 -37.9 3.7 -22.7 -28.3 612 302 B I H 3< 0 0 121 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.468 360.0 360.0 -93.5 -7.1 0.9 -21.4 -30.6 613 303 B K << 0 0 220 -4,-0.7 -3,-0.1 -3,-0.5 -4,-0.0 -0.037 360.0 360.0 -42.9 360.0 0.4 -24.9 -32.5