==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 30-JUN-10 3NRV . COMPND 2 MOLECULE: PUTATIVE TRANSCRIPTIONAL REGULATOR (MARR/EMRR FAM . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER SP. ADP1; . AUTHOR R.ZHANG,R.WU,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL GENO . 545 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25707.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 418 76.7 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 . 24 4.4 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 . 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 . 18 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 315 57.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 4 0 0 0 4 7 1 0 0 0 0 1 3 2 0 0 2 0 0 0 0 0 0 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 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 Q 0 0 161 0, 0.0 3,-0.1 0, 0.0 311,-0.1 0.000 360.0 360.0 360.0-104.1 43.9 26.0 102.8 2 3 A K + 0 0 81 1,-0.1 2,-0.4 367,-0.0 310,-0.0 0.626 360.0 51.5 -93.6 -17.6 40.8 27.9 104.0 3 4 A I S S- 0 0 9 305,-0.1 2,-0.9 5,-0.0 -1,-0.1 -0.982 70.0-145.5-127.0 129.1 38.5 26.6 101.2 4 5 A N > - 0 0 94 -2,-0.4 3,-1.6 1,-0.2 308,-0.0 -0.831 12.9-163.1 -93.1 102.5 37.9 23.0 100.2 5 6 A I G > S+ 0 0 30 -2,-0.9 3,-1.6 1,-0.3 7,-0.2 0.811 85.0 61.0 -57.6 -36.5 37.4 23.3 96.4 6 7 A D G 3 S+ 0 0 107 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.759 112.3 38.7 -62.7 -27.0 35.8 19.8 96.2 7 8 A R G < S+ 0 0 119 -3,-1.6 2,-0.6 5,-0.0 -1,-0.3 -0.070 91.9 104.5-113.2 32.2 33.0 21.0 98.5 8 9 A H <> - 0 0 20 -3,-1.6 4,-2.2 1,-0.1 5,-0.2 -0.937 52.5-165.6-116.7 104.8 32.7 24.5 97.0 9 10 A A H > S+ 0 0 0 -2,-0.6 4,-2.8 1,-0.2 5,-0.3 0.869 87.0 58.7 -63.4 -36.8 29.6 24.7 94.9 10 11 A T H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.943 110.4 43.2 -56.5 -48.7 30.7 27.9 93.2 11 12 A A H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.884 113.6 50.1 -63.9 -42.3 33.9 26.3 92.0 12 13 A Q H X S+ 0 0 8 -4,-2.2 4,-2.4 -7,-0.2 -2,-0.2 0.897 111.5 49.1 -67.9 -39.8 32.1 23.0 90.9 13 14 A I H X S+ 0 0 2 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.936 113.8 44.8 -60.8 -49.2 29.5 25.0 88.9 14 15 A N H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.888 114.4 48.8 -67.6 -38.4 32.0 27.1 87.1 15 16 A X H X S+ 0 0 16 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.929 111.1 50.4 -64.7 -45.7 34.3 24.2 86.3 16 17 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.919 108.5 51.5 -63.0 -42.3 31.4 22.1 85.0 17 18 A A H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.898 114.0 44.7 -60.2 -39.1 30.2 24.9 82.7 18 19 A N H X S+ 0 0 15 -4,-1.7 4,-2.2 307,-0.2 5,-0.2 0.921 113.4 49.9 -68.6 -45.1 33.8 25.3 81.3 19 20 A K H X S+ 0 0 33 -4,-3.1 4,-0.6 1,-0.3 -2,-0.2 0.860 109.3 50.9 -66.8 -35.7 34.2 21.5 81.0 20 21 A L H < S+ 0 0 13 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.828 109.6 54.6 -65.8 -30.8 31.0 21.2 79.1 21 22 A X H < S+ 0 0 25 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.929 107.8 43.7 -74.5 -44.2 32.2 24.0 76.9 22 23 A L H < 0 0 93 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.609 360.0 360.0 -73.3 -7.3 35.5 22.4 75.8 23 24 A K < 0 0 100 -4,-0.6 386,-0.3 -5,-0.2 -1,-0.2 -0.246 360.0 360.0 55.0 360.0 33.5 19.2 75.4 24 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 25 29 A Y 0 0 152 0, 0.0 4,-0.1 0, 0.0 74,-0.1 0.000 360.0 360.0 360.0 168.9 27.1 22.2 66.9 26 30 A T > > + 0 0 23 2,-0.1 5,-1.3 3,-0.1 3,-1.1 0.736 360.0 62.1-123.1 -38.2 28.0 25.8 66.3 27 31 A Q G > 5S+ 0 0 137 1,-0.3 3,-2.6 2,-0.2 467,-0.1 0.885 96.4 71.1 -57.1 -34.9 29.8 26.3 63.0 28 32 A K G 3 5S+ 0 0 63 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.886 98.5 47.0 -41.1 -44.6 26.5 24.9 61.6 29 33 A F G < 5S- 0 0 2 -3,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.368 124.4-102.5 -90.3 6.7 25.0 28.3 62.6 30 34 A G T < 5S+ 0 0 5 -3,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.583 86.8 98.2 91.4 9.7 27.8 30.4 61.1 31 35 A I < - 0 0 6 -5,-1.3 -1,-0.3 2,-0.0 -2,-0.2 -0.911 61.3-128.1-128.9 158.1 29.8 31.4 64.2 32 36 A G > - 0 0 32 -2,-0.3 4,-2.5 -3,-0.1 5,-0.2 -0.370 39.3 -87.3 -97.2-180.0 32.9 30.1 65.9 33 37 A X H > S+ 0 0 71 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.895 124.2 48.5 -56.0 -48.2 33.6 29.1 69.5 34 38 A T H > S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 112.3 49.7 -62.5 -41.5 34.6 32.6 70.8 35 39 A E H > S+ 0 0 12 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.936 112.5 47.9 -59.7 -45.8 31.5 34.0 69.2 36 40 A W H X S+ 0 0 27 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.920 110.8 50.7 -62.9 -43.7 29.4 31.3 70.8 37 41 A R H X S+ 0 0 37 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.922 112.9 46.3 -62.6 -40.5 30.9 31.8 74.3 38 42 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.932 111.0 51.3 -69.0 -44.2 30.3 35.5 74.1 39 43 A I H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.925 109.7 52.3 -53.8 -45.1 26.7 35.0 72.9 40 44 A S H X S+ 0 0 5 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.909 109.3 47.8 -61.3 -43.3 26.3 32.6 75.9 41 45 A V H >X S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 4,-0.9 0.939 110.4 52.1 -62.1 -46.3 27.5 35.1 78.4 42 46 A L H 3< S+ 0 0 10 -4,-2.6 3,-0.3 1,-0.3 43,-0.3 0.818 106.1 55.3 -62.3 -30.2 25.3 37.9 77.0 43 47 A S H 3< S+ 0 0 20 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.711 102.4 58.3 -70.8 -22.9 22.3 35.5 77.3 44 48 A S H << S- 0 0 7 -3,-1.2 2,-0.3 -4,-0.8 -1,-0.2 0.738 119.8 -0.6 -84.2 -22.7 22.9 35.0 81.0 45 49 A A S < S- 0 0 25 -4,-0.9 3,-0.2 -3,-0.3 -1,-0.2 -0.991 72.6-106.7-164.2 156.5 22.7 38.7 82.1 46 50 A S S S+ 0 0 84 -2,-0.3 38,-0.1 1,-0.2 37,-0.1 -0.435 85.6 20.4 -92.7 163.1 22.2 42.2 80.7 47 51 A D S S+ 0 0 98 -2,-0.1 -1,-0.2 36,-0.1 37,-0.2 0.938 75.3 179.3 50.5 60.7 24.5 45.2 80.1 48 52 A C B -A 83 0A 3 35,-1.9 35,-2.9 -3,-0.2 2,-0.3 -0.435 15.6-140.5 -82.1 163.8 27.8 43.2 80.0 49 53 A S > - 0 0 34 33,-0.2 4,-2.2 -2,-0.1 5,-0.2 -0.898 21.7-117.9-121.2 159.8 31.1 45.0 79.5 50 54 A V H > S+ 0 0 33 -2,-0.3 4,-2.6 31,-0.3 5,-0.2 0.871 116.2 55.4 -58.5 -38.7 34.2 44.0 77.5 51 55 A Q H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.940 109.1 44.4 -60.7 -49.9 36.1 44.0 80.7 52 56 A K H > S+ 0 0 55 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.883 115.2 48.0 -64.0 -40.9 33.8 41.5 82.5 53 57 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 6,-0.3 0.926 110.8 50.7 -66.9 -46.3 33.6 39.2 79.5 54 58 A S H X>S+ 0 0 1 -4,-2.6 5,-1.7 -5,-0.2 4,-0.9 0.908 112.6 49.3 -55.2 -45.0 37.4 39.2 79.0 55 59 A D H ><5S+ 0 0 14 -4,-2.3 3,-1.2 -5,-0.2 -2,-0.2 0.993 114.3 40.1 -58.5 -63.3 37.7 38.4 82.7 56 60 A I H 3<5S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.746 119.4 45.1 -68.3 -22.7 35.3 35.5 83.0 57 61 A L H 3<5S- 0 0 8 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.555 105.0-125.8 -92.9 -9.3 36.2 33.9 79.6 58 62 A G T <<5 + 0 0 3 -3,-1.2 2,-0.3 -4,-0.9 -3,-0.2 0.876 64.2 138.2 65.5 38.3 40.0 34.3 80.2 59 63 A L < - 0 0 32 -5,-1.7 -1,-0.2 -6,-0.3 -2,-0.1 -0.871 59.4-104.3-115.5 149.0 40.3 36.2 76.9 60 64 A D > - 0 0 69 -2,-0.3 4,-2.3 1,-0.1 3,-0.2 -0.391 30.2-120.5 -69.7 147.7 42.3 39.3 76.0 61 65 A K H > S+ 0 0 92 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.857 111.5 57.1 -57.0 -38.1 40.3 42.5 75.7 62 66 A A H > S+ 0 0 51 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.930 108.2 46.5 -61.0 -47.0 41.4 42.9 72.1 63 67 A A H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 112.8 49.8 -62.1 -42.8 40.1 39.5 71.1 64 68 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.958 111.2 49.3 -62.0 -48.5 36.8 40.2 72.9 65 69 A S H X S+ 0 0 59 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.914 110.9 49.6 -55.4 -49.0 36.4 43.6 71.2 66 70 A R H X S+ 0 0 157 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.942 112.9 46.7 -55.7 -48.9 37.1 42.1 67.8 67 71 A T H X S+ 0 0 17 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.905 109.8 53.5 -64.3 -40.2 34.5 39.3 68.3 68 72 A V H X S+ 0 0 10 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.904 109.3 49.4 -59.0 -41.9 32.0 41.8 69.7 69 73 A K H X S+ 0 0 130 -4,-2.3 4,-2.5 1,-0.2 3,-0.4 0.959 109.1 52.0 -61.6 -49.6 32.4 43.9 66.5 70 74 A K H X S+ 0 0 85 -4,-2.5 4,-1.6 1,-0.3 -1,-0.2 0.830 110.1 48.7 -54.7 -36.1 31.9 40.8 64.3 71 75 A L H <>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 6,-1.3 0.750 107.6 55.7 -80.6 -25.7 28.7 39.9 66.2 72 76 A E H ><5S+ 0 0 72 -4,-1.7 3,-2.4 -3,-0.4 -2,-0.2 0.971 107.9 48.1 -61.7 -56.6 27.5 43.4 65.7 73 77 A E H 3<5S+ 0 0 74 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.855 108.0 54.9 -50.9 -40.7 28.0 43.1 62.0 74 78 A K T 3<5S- 0 0 12 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.439 117.8-116.0 -78.4 2.1 26.2 39.8 62.0 75 79 A K T < 5S+ 0 0 101 -3,-2.4 14,-0.3 2,-0.2 13,-0.3 0.581 86.9 111.8 78.6 14.0 23.2 41.5 63.7 76 80 A Y S - 0 0 39 -10,-2.7 4,-2.3 -2,-0.2 5,-0.2 -0.289 38.2 -97.0 -68.7 171.7 19.5 41.7 69.7 87 99 A E H > S+ 0 0 164 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.886 131.9 51.5 -57.6 -36.5 16.3 39.7 69.7 88 100 A X H > S+ 0 0 34 -13,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.814 104.4 54.6 -72.5 -32.5 18.1 37.7 66.9 89 101 A G H > S+ 0 0 0 -13,-0.3 4,-1.7 -14,-0.3 -2,-0.2 0.928 110.7 46.8 -62.9 -43.5 21.2 37.2 69.1 90 102 A Q H X S+ 0 0 57 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.866 110.8 52.6 -66.6 -36.1 18.9 35.7 71.8 91 103 A E H X S+ 0 0 1 -4,-2.0 4,-3.4 1,-0.2 5,-0.3 0.930 104.8 55.6 -62.5 -45.4 17.2 33.6 69.1 92 104 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.903 108.4 48.2 -53.0 -44.6 20.6 32.2 68.0 93 105 A Y H X S+ 0 0 3 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.930 116.1 42.6 -63.1 -47.4 21.3 31.1 71.5 94 106 A E H X S+ 0 0 38 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.916 116.4 46.5 -67.6 -43.3 18.0 29.4 72.0 95 107 A V H X S+ 0 0 0 -4,-3.4 4,-2.7 2,-0.2 -2,-0.2 0.948 113.8 46.9 -67.7 -46.4 17.8 27.8 68.5 96 108 A A H X S+ 0 0 6 -4,-2.3 4,-0.9 -5,-0.3 -1,-0.2 0.888 115.2 47.9 -64.0 -36.6 21.4 26.4 68.6 97 109 A S H >< S+ 0 0 5 -4,-1.9 3,-0.7 -5,-0.3 -1,-0.2 0.936 111.3 49.8 -64.9 -46.3 20.8 25.1 72.1 98 110 A D H >< S+ 0 0 35 -4,-2.8 3,-1.1 1,-0.3 -2,-0.2 0.885 109.1 53.1 -61.6 -38.7 17.5 23.5 71.1 99 111 A F H 3< S+ 0 0 6 -4,-2.7 3,-0.4 1,-0.3 -1,-0.3 0.741 102.5 59.2 -66.1 -24.8 19.2 21.9 68.1 100 112 A A T XX + 0 0 20 -4,-0.9 3,-1.3 -3,-0.7 4,-1.0 0.113 67.3 120.7 -93.1 22.6 21.9 20.4 70.3 101 113 A I H <> + 0 0 56 -3,-1.1 4,-1.9 1,-0.3 -1,-0.2 0.761 63.4 65.4 -61.4 -27.2 19.3 18.4 72.4 102 114 A E H 3> S+ 0 0 97 -3,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.823 98.2 54.2 -66.8 -31.3 20.9 15.0 71.6 103 115 A R H <> S+ 0 0 89 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.843 106.0 53.6 -69.1 -34.2 24.1 16.0 73.4 104 116 A E H X S+ 0 0 14 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.904 106.7 50.4 -64.6 -42.5 21.9 16.8 76.5 105 117 A K H < S+ 0 0 148 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.900 111.8 49.1 -63.0 -39.0 20.4 13.3 76.3 106 118 A Q H >< S+ 0 0 61 -4,-1.8 3,-1.3 1,-0.2 4,-0.3 0.908 108.8 52.8 -63.2 -44.5 23.9 11.9 76.2 107 119 A L H 3< S+ 0 0 2 -4,-2.3 3,-0.4 1,-0.3 -2,-0.2 0.880 115.4 40.0 -58.9 -39.8 25.0 14.0 79.1 108 120 A L T >< S+ 0 0 14 -4,-2.0 3,-2.2 1,-0.2 -1,-0.3 0.223 80.7 117.1 -98.5 13.0 22.1 12.8 81.3 109 121 A E T < S+ 0 0 118 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.825 76.5 47.9 -45.5 -45.4 22.3 9.1 80.0 110 122 A E T 3 S+ 0 0 112 -3,-0.4 2,-0.5 -4,-0.3 -1,-0.3 0.331 94.0 101.0 -85.6 7.3 23.2 7.8 83.5 111 123 A F < - 0 0 11 -3,-2.2 2,-0.1 4,-0.0 -3,-0.0 -0.837 63.5-144.0 -98.7 125.9 20.4 9.7 85.2 112 124 A E > - 0 0 136 -2,-0.5 4,-2.2 1,-0.1 3,-0.2 -0.341 37.4-101.7 -67.7 165.6 17.1 8.1 86.2 113 125 A E H > S+ 0 0 119 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.885 123.8 53.8 -60.3 -40.9 14.0 10.4 85.8 114 126 A A H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.873 108.5 50.0 -61.5 -37.4 13.9 11.1 89.5 115 127 A E H > S+ 0 0 53 2,-0.2 4,-2.6 -3,-0.2 -2,-0.2 0.892 109.2 50.7 -69.7 -41.3 17.6 12.2 89.4 116 128 A K H X S+ 0 0 46 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.943 109.4 52.1 -59.2 -46.3 17.0 14.5 86.4 117 129 A D H X S+ 0 0 73 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.918 110.6 47.1 -54.4 -47.6 14.1 16.0 88.3 118 130 A Q H X S+ 0 0 64 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.908 108.8 55.4 -61.8 -43.7 16.3 16.6 91.3 119 131 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.944 111.4 42.9 -54.7 -48.4 19.1 18.1 89.2 120 132 A F H X S+ 0 0 18 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.852 111.7 54.1 -73.4 -28.9 16.7 20.7 87.7 121 133 A I H X S+ 0 0 84 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.944 112.9 43.7 -63.3 -46.4 15.1 21.5 91.1 122 134 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.902 111.2 52.7 -69.2 -40.7 18.6 22.2 92.5 123 135 A L H X S+ 0 0 2 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.884 108.2 53.0 -62.2 -37.2 19.7 24.2 89.5 124 136 A K H X S+ 0 0 137 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.902 106.0 51.8 -65.8 -41.7 16.6 26.4 89.8 125 137 A K H X S+ 0 0 53 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.927 111.8 48.8 -57.3 -42.1 17.3 27.0 93.5 126 138 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.919 111.0 47.7 -66.1 -43.9 20.8 28.1 92.4 127 139 A R H X S+ 0 0 66 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.918 110.2 53.3 -65.3 -41.2 19.6 30.4 89.6 128 140 A N H X S+ 0 0 89 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.888 112.1 45.0 -57.5 -41.7 17.1 32.0 91.9 129 141 A K H >X S+ 0 0 5 -4,-1.8 3,-0.9 -5,-0.2 4,-0.7 0.908 108.1 55.6 -72.8 -40.4 19.7 32.8 94.5 130 142 A V H >< S+ 0 0 2 -4,-2.6 3,-1.2 1,-0.3 -2,-0.2 0.900 101.9 59.4 -58.7 -38.8 22.3 34.1 91.9 131 143 A D H 3< S+ 0 0 79 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.837 106.1 48.7 -56.0 -33.2 19.6 36.6 90.8 132 144 A Q H << 0 0 125 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.573 360.0 360.0 -85.3 -11.5 19.5 38.0 94.3 133 145 A X << 0 0 42 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.459 360.0 360.0 -85.2 360.0 23.3 38.3 94.7 134 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 135 2 B Q 0 0 92 0, 0.0 3,-0.1 0, 0.0 320,-0.0 0.000 360.0 360.0 360.0 97.9 7.6 29.6 44.5 136 3 B K + 0 0 91 1,-0.1 2,-0.4 376,-0.1 319,-0.0 0.417 360.0 64.2-107.2 -6.3 4.5 28.3 42.7 137 4 B I S S- 0 0 11 314,-0.1 2,-1.0 5,-0.0 -1,-0.1 -0.980 71.9-144.1-125.5 127.8 2.1 29.5 45.4 138 5 B N > - 0 0 96 -2,-0.4 3,-1.6 1,-0.2 317,-0.0 -0.799 13.2-164.6 -92.0 102.2 1.5 33.1 46.4 139 6 B I G > S+ 0 0 21 -2,-1.0 3,-1.6 1,-0.3 7,-0.2 0.817 84.8 61.1 -58.2 -37.4 1.0 32.8 50.2 140 7 B D G 3 S+ 0 0 113 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.776 112.5 38.4 -60.7 -27.9 -0.6 36.3 50.5 141 8 B R G < S+ 0 0 116 -3,-1.6 2,-0.6 5,-0.0 -1,-0.3 -0.083 91.4 105.1-114.1 33.1 -3.4 35.1 48.2 142 9 B H <> - 0 0 20 -3,-1.6 4,-2.3 1,-0.2 5,-0.2 -0.939 52.1-165.1-118.0 104.1 -3.7 31.6 49.6 143 10 B A H > S+ 0 0 0 -2,-0.6 4,-2.7 1,-0.2 5,-0.3 0.864 87.3 58.9 -62.6 -35.9 -6.8 31.4 51.8 144 11 B T H > S+ 0 0 15 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 110.2 42.9 -57.1 -46.9 -5.7 28.2 53.4 145 12 B A H > S+ 0 0 13 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.896 113.6 50.4 -66.3 -44.3 -2.6 29.8 54.7 146 13 B Q H X S+ 0 0 25 -4,-2.3 4,-2.2 -7,-0.2 -2,-0.2 0.909 111.3 49.2 -64.8 -40.3 -4.3 33.1 55.8 147 14 B I H X S+ 0 0 2 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.934 114.1 44.3 -61.7 -47.0 -6.9 31.2 57.7 148 15 B N H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.3 -2,-0.2 0.882 113.9 49.8 -70.6 -37.2 -4.4 29.0 59.5 149 16 B X H X S+ 0 0 12 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.874 111.0 50.4 -64.3 -40.8 -2.1 31.9 60.2 150 17 B L H X S+ 0 0 3 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.910 108.5 50.8 -70.2 -39.8 -5.0 34.0 61.7 151 18 B A H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.892 114.1 45.4 -62.7 -38.1 -6.1 31.2 63.9 152 19 B N H X S+ 0 0 15 -4,-1.6 4,-2.4 316,-0.2 -2,-0.2 0.924 113.7 48.8 -69.4 -44.6 -2.6 30.8 65.3 153 20 B K H < S+ 0 0 19 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.869 108.7 52.3 -68.8 -36.8 -2.1 34.6 65.7 154 21 B L H < S+ 0 0 19 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.904 110.3 52.3 -59.1 -39.5 -5.4 34.9 67.5 155 22 B X H < 0 0 41 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.958 360.0 360.0 -66.5 -51.4 -4.2 32.2 69.8 156 23 B L < 0 0 120 -4,-2.4 -3,-0.1 313,-0.2 314,-0.0 0.433 360.0 360.0 -73.5 360.0 -0.8 33.7 70.7 157 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 158 29 B Y 0 0 178 0, 0.0 74,-0.1 0, 0.0 75,-0.0 0.000 360.0 360.0 360.0-156.9 -9.2 34.0 79.8 159 30 B T > > + 0 0 18 2,-0.1 5,-1.4 3,-0.0 3,-0.9 0.646 360.0 64.2-130.3 -35.5 -8.4 30.3 80.4 160 31 B Q G > 5S+ 0 0 148 1,-0.2 3,-2.7 2,-0.2 5,-0.1 0.903 96.4 69.2 -54.2 -39.3 -6.5 30.0 83.7 161 32 B K G 3 5S+ 0 0 135 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.878 99.8 46.2 -41.5 -45.3 -9.9 31.3 85.0 162 33 B F G < 5S- 0 0 53 -3,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.376 123.4-102.4 -90.3 5.2 -11.4 27.9 84.0 163 34 B G T < 5S+ 0 0 49 -3,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.610 86.7 98.1 91.9 12.5 -8.6 25.8 85.5 164 35 B I < - 0 0 7 -5,-1.4 -1,-0.3 2,-0.0 -2,-0.2 -0.946 61.2-130.0-131.9 153.5 -6.6 24.8 82.4 165 36 B G > - 0 0 35 -2,-0.3 4,-2.2 -3,-0.1 5,-0.2 -0.324 40.5 -86.6 -92.5-179.0 -3.4 26.1 80.8 166 37 B X H > S+ 0 0 76 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.887 123.4 49.8 -57.7 -46.5 -2.8 27.0 77.1 167 38 B T H > S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 111.6 49.9 -63.3 -42.4 -1.8 23.6 75.8 168 39 B E H > S+ 0 0 18 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.930 112.0 48.5 -57.3 -45.4 -4.9 22.1 77.4 169 40 B W H X S+ 0 0 29 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.920 110.1 51.1 -64.7 -43.1 -7.0 24.8 75.8 170 41 B R H X S+ 0 0 32 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.918 112.2 47.1 -60.6 -41.3 -5.5 24.3 72.4 171 42 B I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.946 110.8 50.7 -67.7 -46.2 -6.2 20.6 72.5 172 43 B I H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.929 110.5 52.0 -51.7 -45.7 -9.7 21.1 73.7 173 44 B S H X S+ 0 0 5 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.923 109.7 47.0 -61.5 -46.0 -10.1 23.5 70.8 174 45 B V H >X S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 4,-0.9 0.942 111.3 52.1 -60.2 -45.7 -8.9 21.0 68.2 175 46 B L H 3< S+ 0 0 9 -4,-2.8 3,-0.4 1,-0.3 43,-0.3 0.835 105.4 55.2 -63.3 -31.0 -11.1 18.3 69.7 176 47 B S H 3< S+ 0 0 20 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.718 102.1 60.2 -69.9 -20.8 -14.1 20.6 69.4 177 48 B S H << S- 0 0 6 -3,-1.2 2,-0.3 -4,-0.8 -1,-0.2 0.752 117.3 -1.0 -83.5 -24.2 -13.4 21.0 65.7 178 49 B A S < S- 0 0 25 -4,-0.9 3,-0.3 -3,-0.4 -1,-0.2 -0.993 73.0 -99.1-162.1 163.4 -13.7 17.4 64.6 179 50 B S S S+ 0 0 93 -2,-0.3 38,-0.1 1,-0.2 37,-0.1 -0.492 87.8 11.9 -92.9 157.4 -14.3 13.8 65.7 180 51 B D S S- 0 0 97 -2,-0.2 -1,-0.2 1,-0.1 37,-0.2 0.930 74.5-179.1 47.0 66.5 -11.9 11.0 66.5 181 52 B C B -C 216 0C 2 35,-1.9 35,-3.1 -3,-0.3 2,-0.3 -0.518 14.4-139.7 -86.4 161.8 -8.6 12.9 66.5 182 53 B S > - 0 0 34 33,-0.2 4,-2.4 -2,-0.2 5,-0.2 -0.849 22.2-116.4-119.5 161.7 -5.3 11.2 67.2 183 54 B V H > S+ 0 0 34 31,-0.3 4,-2.6 -2,-0.3 5,-0.2 0.884 117.0 55.3 -60.0 -38.5 -2.2 12.1 69.2 184 55 B Q H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.936 109.7 43.3 -59.6 -50.9 -0.3 12.1 65.9 185 56 B K H > S+ 0 0 50 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.888 115.7 48.2 -65.6 -39.8 -2.6 14.6 64.1 186 57 B I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 6,-0.3 0.931 111.3 50.2 -65.2 -46.5 -2.9 16.9 67.2 187 58 B S H X>S+ 0 0 1 -4,-2.6 5,-1.6 -5,-0.2 4,-0.9 0.908 112.3 49.9 -57.7 -43.9 0.9 16.9 67.6 188 59 B D H ><5S+ 0 0 14 -4,-2.3 3,-1.1 -5,-0.2 -2,-0.2 0.991 114.5 39.4 -57.9 -63.4 1.3 17.7 63.9 189 60 B I H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.756 119.5 45.7 -68.8 -23.7 -1.1 20.7 63.7 190 61 B L H 3<5S- 0 0 8 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.574 104.5-127.0 -90.4 -10.6 -0.2 22.2 67.0 191 62 B G T <<5 + 0 0 4 -3,-1.1 2,-0.3 -4,-0.9 -3,-0.2 0.863 63.3 137.0 64.5 37.3 3.5 21.8 66.4 192 63 B L < - 0 0 32 -5,-1.6 -1,-0.2 -6,-0.3 -2,-0.1 -0.865 60.6-103.8-114.1 149.9 3.9 20.0 69.8 193 64 B D >> - 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0 0 32 -10,-2.5 4,-2.6 -2,-0.2 3,-0.3 -0.371 38.3 -96.7 -70.8 168.0 -17.0 14.4 76.8 220 99 B E H > S+ 0 0 183 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.877 131.7 54.2 -52.1 -36.4 -20.1 16.5 76.9 221 100 B X H > S+ 0 0 94 -13,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.841 104.5 51.2 -72.1 -33.1 -18.3 18.3 79.7 222 101 B G H > S+ 0 0 0 -13,-0.3 4,-1.8 -3,-0.3 -2,-0.2 0.922 111.1 49.0 -64.4 -44.6 -15.2 18.9 77.5 223 102 B Q H X S+ 0 0 59 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.870 109.9 52.4 -62.3 -36.8 -17.5 20.4 74.8 224 103 B E H X S+ 0 0 92 -4,-2.2 4,-3.5 -5,-0.2 5,-0.3 0.919 104.4 55.7 -65.0 -44.2 -19.2 22.6 77.5 225 104 B L H X S+ 0 0 8 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.929 108.4 48.2 -52.9 -47.9 -15.8 23.9 78.6 226 105 B Y H X S+ 0 0 4 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.916 116.4 43.2 -59.0 -45.1 -15.0 25.0 75.1 227 106 B E H X S+ 0 0 49 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.918 116.8 44.7 -70.4 -44.1 -18.4 26.7 74.7 228 107 B V H X S+ 0 0 29 -4,-3.5 4,-2.6 2,-0.2 -2,-0.2 0.928 113.8 48.6 -67.9 -45.5 -18.6 28.3 78.1 229 108 B A H X S+ 0 0 7 -4,-2.7 4,-0.6 -5,-0.3 -1,-0.2 0.879 115.1 46.7 -65.2 -34.5 -15.0 29.6 78.0 230 109 B S H >< S+ 0 0 5 -4,-1.7 3,-1.0 -5,-0.3 -2,-0.2 0.928 111.4 50.2 -67.2 -47.1 -15.6 31.0 74.5 231 110 B D H >< S+ 0 0 68 -4,-2.7 3,-1.1 1,-0.3 -2,-0.2 0.874 108.7 53.8 -61.6 -37.4 -18.9 32.6 75.6 232 111 B F H 3< S+ 0 0 125 -4,-2.6 3,-0.4 1,-0.2 -1,-0.3 0.694 103.8 57.3 -68.1 -19.6 -17.2 34.2 78.6 233 112 B A T XX + 0 0 29 -3,-1.0 3,-1.6 -4,-0.6 4,-0.9 0.153 66.4 119.4 -98.9 20.0 -14.6 35.8 76.3 234 113 B I H <> + 0 0 54 -3,-1.1 4,-1.9 1,-0.3 -1,-0.2 0.748 64.2 68.2 -59.9 -24.7 -17.0 37.7 74.1 235 114 B E H 3> S+ 0 0 116 -3,-0.4 4,-1.9 1,-0.3 -1,-0.3 0.831 97.4 53.1 -66.2 -30.4 -15.5 41.1 75.0 236 115 B R H <> S+ 0 0 117 -3,-1.6 4,-2.6 2,-0.2 -1,-0.3 0.846 106.5 53.8 -68.5 -34.0 -12.3 40.0 73.2 237 116 B E H X S+ 0 0 17 -4,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.865 107.6 49.2 -66.9 -36.5 -14.6 39.3 70.1 238 117 B K H < S+ 0 0 122 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.906 112.2 48.9 -69.1 -40.4 -16.0 42.8 70.3 239 118 B Q H >< S+ 0 0 63 -4,-1.9 3,-1.5 1,-0.2 4,-0.3 0.932 109.6 52.2 -59.4 -48.1 -12.5 44.2 70.5 240 119 B L H 3< S+ 0 0 1 -4,-2.6 3,-0.4 1,-0.3 -1,-0.2 0.862 115.3 40.5 -57.5 -38.2 -11.4 42.1 67.5 241 120 B L T >< S+ 0 0 13 -4,-1.7 3,-2.2 1,-0.2 -1,-0.3 0.208 80.4 117.3-100.0 14.2 -14.3 43.3 65.4 242 121 B E T < S+ 0 0 115 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.824 76.2 47.7 -48.9 -44.0 -14.1 47.0 66.6 243 122 B E T 3 S+ 0 0 111 -3,-0.4 2,-0.5 -4,-0.3 -1,-0.3 0.257 93.9 100.6 -88.0 13.1 -13.2 48.4 63.1 244 123 B F < - 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0 0 34 -4,-1.5 3,-0.3 -5,-0.1 2,-0.3 -0.792 63.6-130.6-127.9 161.2 47.6 22.5 95.5 314 50 C S S S+ 0 0 79 -2,-0.3 46,-0.0 1,-0.2 -3,-0.0 -0.732 83.9 16.0-105.0 155.9 51.2 21.5 95.0 315 51 C D S S- 0 0 81 -2,-0.3 2,-1.2 1,-0.2 -1,-0.2 0.910 73.9-172.4 47.5 56.0 53.1 21.5 91.7 316 52 C C B +E 359 0E 2 43,-0.5 43,-2.9 -3,-0.3 -1,-0.2 -0.694 7.1 176.1 -80.0 99.7 50.7 23.6 89.8 317 53 C S > - 0 0 21 -2,-1.2 4,-2.2 41,-0.2 5,-0.2 -0.481 49.8-101.1 -82.5 171.4 51.7 23.7 86.2 318 54 C V H > S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.902 126.3 55.7 -59.0 -40.0 49.5 25.5 83.7 319 55 C Q H > S+ 0 0 74 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.935 107.4 46.9 -56.6 -50.1 48.3 22.0 82.7 320 56 C K H > S+ 0 0 63 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.907 112.1 49.8 -62.5 -39.8 47.2 21.2 86.3 321 57 C I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 6,-0.3 0.938 112.9 47.7 -65.0 -43.3 45.5 24.6 86.8 322 58 C S H X S+ 0 0 12 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.908 109.9 52.2 -61.4 -43.0 43.6 24.1 83.5 323 59 C D H < S+ 0 0 84 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.909 114.2 44.1 -60.7 -42.1 42.6 20.5 84.4 324 60 C I H < S+ 0 0 57 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.910 123.0 33.1 -69.5 -44.2 41.2 21.8 87.7 325 61 C L H < S- 0 0 10 -4,-2.7 -307,-0.2 2,-0.2 -2,-0.2 0.737 94.3-129.2 -88.2 -26.2 39.4 24.9 86.5 326 62 C G < + 0 0 3 -4,-2.7 2,-0.3 1,-0.4 -304,-0.2 0.458 66.3 128.5 83.0 -0.2 38.2 23.8 83.0 327 63 C L - 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0 0 8 -2,-0.3 4,-2.3 -7,-0.1 5,-0.1 -0.333 32.5-103.4 -85.1 172.7 2.7 16.4 58.3 444 37 D X H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.907 121.2 50.9 -61.5 -42.9 0.7 19.6 57.7 445 38 D T H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 108.1 51.9 -68.4 -38.2 3.1 21.7 59.8 446 39 D E H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.946 111.1 48.9 -56.2 -49.8 6.1 20.4 57.9 447 40 D W H X S+ 0 0 10 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.896 107.1 54.9 -55.9 -45.1 4.4 21.4 54.7 448 41 D R H X S+ 0 0 13 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.916 112.6 43.6 -58.2 -39.8 3.6 24.9 55.9 449 42 D I H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.931 111.8 51.0 -73.0 -45.2 7.2 25.4 56.7 450 43 D I H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.933 110.3 52.0 -54.8 -44.7 8.6 23.9 53.5 451 44 D S H X S+ 0 0 8 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.901 109.7 48.6 -62.8 -39.3 6.1 26.2 51.6 452 45 D V H >X S+ 0 0 2 -4,-1.8 4,-1.6 -5,-0.2 3,-1.0 0.942 109.5 52.1 -64.3 -43.7 7.5 29.2 53.5 453 46 D L H 3< S+ 0 0 15 -4,-2.8 51,-0.2 1,-0.3 -2,-0.2 0.828 105.4 57.3 -62.5 -29.3 11.1 28.3 52.8 454 47 D S H 3< S+ 0 0 29 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.812 114.1 37.2 -65.9 -29.2 10.2 28.0 49.1 455 48 D S H << S+ 0 0 59 -3,-1.0 2,-0.3 -4,-0.9 -2,-0.2 0.664 109.5 56.1-103.7 -23.1 9.0 31.6 49.0 456 49 D A < - 0 0 26 -4,-1.6 3,-0.3 3,-0.0 2,-0.3 -0.743 68.4-118.8-122.6 163.2 11.2 33.6 51.2 457 50 D S S S- 0 0 81 -2,-0.3 3,-0.2 1,-0.2 46,-0.0 -0.755 83.7 -4.8-109.2 171.5 14.9 34.5 51.7 458 51 D D S S- 0 0 53 -2,-0.3 2,-0.7 1,-0.2 -1,-0.2 0.785 73.4-163.3 -41.8 105.0 16.8 33.9 54.5 459 52 D C B -G 502 0F 2 43,-0.6 43,-3.0 -3,-0.3 2,-0.2 -0.713 6.4-172.8 -72.1 103.6 14.3 32.5 56.9 460 53 D S > - 0 0 11 -2,-0.7 4,-2.2 41,-0.2 5,-0.2 -0.519 44.9-102.0 -85.6 170.1 15.3 32.4 60.5 461 54 D V H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.902 126.4 57.1 -58.5 -39.8 13.1 30.6 62.9 462 55 D Q H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.936 107.1 46.2 -55.4 -50.1 11.9 34.1 63.9 463 56 D K H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 112.1 49.9 -64.0 -40.8 10.8 34.9 60.3 464 57 D I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 6,-0.3 0.940 112.4 48.8 -63.0 -44.1 9.1 31.5 59.8 465 58 D S H X S+ 0 0 11 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.895 109.7 51.5 -60.1 -42.0 7.2 32.0 63.2 466 59 D D H < S+ 0 0 78 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.889 114.0 44.6 -65.0 -39.0 6.2 35.6 62.2 467 60 D I H < S+ 0 0 51 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.914 123.1 32.5 -70.8 -43.6 4.8 34.3 58.9 468 61 D L H < S- 0 0 8 -4,-2.7 -316,-0.2 2,-0.2 -2,-0.2 0.752 94.4-129.0 -89.7 -26.8 2.9 31.3 60.1 469 62 D G < + 0 0 3 -4,-2.5 2,-0.4 1,-0.4 -313,-0.2 0.503 65.9 129.2 83.6 3.3 1.8 32.3 63.6 470 63 D L - 0 0 2 -6,-0.3 -1,-0.4 -5,-0.2 -2,-0.2 -0.745 66.3-105.8 -84.9 142.2 3.2 29.2 65.2 471 64 D D > - 0 0 82 -2,-0.4 4,-2.0 1,-0.1 3,-0.3 -0.153 29.3-104.1 -66.5 165.0 5.4 30.0 68.2 472 65 D K H > S+ 0 0 53 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.802 119.0 56.6 -59.2 -34.7 9.2 29.7 67.9 473 66 D A H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 108.2 47.8 -66.4 -42.8 9.3 26.5 69.9 474 67 D A H > S+ 0 0 3 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.901 114.6 45.4 -63.0 -44.4 7.0 24.8 67.4 475 68 D V H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.923 112.3 51.4 -66.3 -45.4 9.0 26.1 64.4 476 69 D S H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.930 111.3 47.4 -58.8 -47.2 12.3 25.1 65.9 477 70 D R H X S+ 0 0 58 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.924 114.7 45.5 -61.3 -43.6 11.1 21.6 66.6 478 71 D T H X S+ 0 0 8 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.907 110.6 53.0 -69.9 -38.1 9.6 21.1 63.2 479 72 D V H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.913 108.5 51.7 -62.0 -39.7 12.7 22.6 61.5 480 73 D K H X S+ 0 0 22 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.915 108.9 50.2 -58.8 -44.2 14.8 20.0 63.5 481 74 D K H X S+ 0 0 69 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.918 110.5 49.5 -61.5 -42.8 12.6 17.2 62.2 482 75 D L H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 6,-1.2 0.816 108.2 54.0 -69.0 -30.7 13.0 18.5 58.6 483 76 D E H ><5S+ 0 0 39 -4,-2.1 3,-1.0 -5,-0.2 -1,-0.2 0.929 108.9 48.4 -64.6 -44.8 16.7 18.6 59.1 484 77 D E H 3<5S+ 0 0 110 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.840 111.6 49.7 -62.3 -35.6 16.7 14.9 60.2 485 78 D K T 3<5S- 0 0 84 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.464 115.1-121.4 -83.3 -3.3 14.5 14.0 57.2 486 79 D K T < 5S+ 0 0 150 -3,-1.0 22,-0.4 -4,-0.3 21,-0.3 0.713 80.5 118.0 71.2 25.5 17.0 15.9 55.0 487 80 D Y S + 0 0 20 1,-0.1 3,-1.7 2,-0.1 5,-0.4 0.947 27.5 173.9 48.1 48.3 26.4 32.3 56.3 494 87 D S T 3 S+ 0 0 67 1,-0.3 -1,-0.1 -467,-0.1 -462,-0.1 0.856 71.0 42.0 -53.0 -39.2 29.7 32.1 58.1 495 88 D E T 3 S+ 0 0 176 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.259 102.5 82.8 -98.1 11.2 31.3 34.7 55.8 496 89 D D S < S- 0 0 71 -3,-1.7 2,-2.1 2,-0.2 0, 0.0 -0.862 82.9-117.3-119.1 151.9 28.5 37.2 55.5 497 90 D K S S+ 0 0 150 -2,-0.3 2,-0.3 -422,-0.0 -3,-0.1 -0.376 87.1 85.7 -81.0 61.4 27.3 40.1 57.7 498 91 D R S S- 0 0 85 -2,-2.1 -2,-0.2 -5,-0.4 -423,-0.1 -0.982 80.7 -92.3-157.5 158.3 24.0 38.4 58.3 499 92 D T - 0 0 12 -2,-0.3 -424,-0.1 1,-0.1 -469,-0.1 -0.068 53.5 -81.1 -68.2 172.2 22.3 35.8 60.5 500 93 D Y - 0 0 1 -471,-0.2 2,-0.3 -426,-0.1 -8,-0.2 -0.244 48.3-154.2 -60.2 162.0 22.0 32.1 59.9 501 94 D A E - H 0 491F 0 -10,-3.0 -10,-3.9 -3,-0.1 2,-0.5 -0.984 14.4-126.9-139.6 154.6 19.2 31.0 57.6 502 95 D I E -GH 459 490F 2 -43,-3.0 -43,-0.6 -2,-0.3 2,-0.3 -0.896 34.7-177.4 -97.7 130.3 17.1 27.8 57.1 503 96 D N E - H 0 489F 33 -14,-2.6 -14,-2.6 -2,-0.5 2,-0.1 -0.947 29.1-110.8-126.5 150.9 17.1 26.5 53.5 504 97 D L E - H 0 488F 19 -2,-0.3 -16,-0.3 -16,-0.2 2,-0.1 -0.483 33.4-132.8 -67.7 142.1 15.5 23.7 51.6 505 98 D T > - 0 0 25 -18,-2.4 4,-2.5 -2,-0.1 5,-0.2 -0.322 36.2 -91.7 -79.1 179.5 17.9 21.0 50.4 506 99 D E H > S+ 0 0 136 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.924 133.5 48.6 -57.5 -43.6 17.7 19.7 46.9 507 100 D X H > S+ 0 0 81 -21,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.892 108.8 53.0 -64.8 -38.5 15.3 17.1 48.1 508 101 D G H > S+ 0 0 0 -22,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.894 109.0 49.4 -61.3 -40.8 13.3 19.7 50.0 509 102 D Q H X S+ 0 0 107 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.894 111.0 49.8 -64.7 -40.4 13.0 21.7 46.7 510 103 D E H X S+ 0 0 96 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.926 109.9 51.3 -63.1 -45.1 11.9 18.6 44.8 511 104 D L H X S+ 0 0 15 -4,-2.7 4,-3.4 1,-0.2 5,-0.3 0.952 110.8 48.3 -56.3 -47.1 9.3 17.9 47.5 512 105 D Y H X S+ 0 0 8 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.928 109.9 52.5 -58.7 -43.8 8.0 21.4 47.2 513 106 D E H X S+ 0 0 122 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.920 117.8 37.4 -57.3 -44.6 7.9 21.1 43.4 514 107 D V H < S+ 0 0 81 -4,-2.5 4,-0.5 1,-0.2 3,-0.3 0.864 119.9 43.4 -81.2 -38.9 5.8 18.0 43.7 515 108 D A H X S+ 0 0 0 -4,-3.4 4,-2.1 -5,-0.2 3,-0.4 0.707 97.0 74.4 -83.7 -19.4 3.6 18.8 46.7 516 109 D S H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.861 91.0 57.9 -65.7 -30.8 2.7 22.4 45.7 517 110 D D H X S+ 0 0 85 -4,-0.5 4,-2.1 -3,-0.3 -1,-0.2 0.889 106.9 48.5 -61.7 -38.3 0.4 21.0 43.0 518 111 D F H > S+ 0 0 43 -4,-0.5 4,-2.4 -3,-0.4 -2,-0.2 0.928 110.7 50.2 -67.2 -45.1 -1.5 19.2 45.7 519 112 D A H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.890 109.9 51.9 -58.3 -42.1 -1.7 22.4 47.8 520 113 D I H X S+ 0 0 61 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.922 109.6 48.2 -64.4 -43.0 -2.9 24.3 44.8 521 114 D E H X S+ 0 0 106 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.890 110.6 51.1 -63.1 -41.1 -5.7 21.8 44.1 522 115 D R H X S+ 0 0 29 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.869 110.6 48.5 -65.5 -37.6 -6.8 21.8 47.8 523 116 D E H X S+ 0 0 19 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.901 110.5 51.7 -67.7 -42.2 -7.0 25.7 47.8 524 117 D K H < S+ 0 0 136 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.937 110.9 48.6 -58.6 -46.0 -9.0 25.6 44.6 525 118 D Q H >< S+ 0 0 64 -4,-2.5 3,-1.5 1,-0.2 4,-0.3 0.932 107.0 54.9 -59.9 -47.5 -11.4 23.1 46.2 526 119 D L H 3< S+ 0 0 1 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.845 116.6 37.5 -53.8 -38.5 -11.8 25.2 49.4 527 120 D L T >< S+ 0 0 12 -4,-1.7 3,-2.5 -3,-0.2 -1,-0.3 0.284 81.5 116.3 -99.9 6.6 -12.8 28.2 47.3 528 121 D E T < S+ 0 0 107 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.1 0.779 79.7 44.5 -41.7 -42.9 -14.9 26.3 44.7 529 122 D E T 3 S+ 0 0 113 -3,-0.3 2,-0.4 -4,-0.3 -1,-0.3 0.343 92.4 105.7 -90.5 6.2 -18.2 27.9 45.7 530 123 D F < - 0 0 15 -3,-2.5 2,-0.1 4,-0.0 -3,-0.0 -0.741 63.2-139.5 -92.0 131.6 -16.7 31.5 45.8 531 124 D E >> - 0 0 140 -2,-0.4 4,-2.0 1,-0.1 3,-0.9 -0.471 36.8-101.9 -71.5 159.8 -17.4 34.1 43.2 532 125 D E H 3> S+ 0 0 128 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.875 122.9 49.2 -54.6 -42.4 -14.4 36.2 42.3 533 126 D A H 3> S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.752 107.2 56.4 -72.3 -23.2 -15.5 39.2 44.4 534 127 D E H <> S+ 0 0 40 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.889 106.8 49.4 -73.5 -39.7 -16.2 36.9 47.4 535 128 D K H X S+ 0 0 52 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.945 112.5 47.4 -60.2 -49.1 -12.6 35.7 47.2 536 129 D D H X S+ 0 0 81 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.938 112.4 49.9 -57.2 -46.7 -11.4 39.3 47.1 537 130 D Q H X S+ 0 0 61 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.882 107.8 54.6 -58.2 -41.0 -13.7 40.2 50.0 538 131 D L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.944 107.8 48.1 -59.0 -50.9 -12.4 37.3 52.0 539 132 D F H X S+ 0 0 18 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.876 112.0 50.4 -61.4 -37.3 -8.7 38.3 51.7 540 133 D I H X S+ 0 0 97 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.941 112.2 45.6 -64.9 -46.6 -9.6 41.9 52.7 541 134 D L H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.897 111.5 51.7 -68.2 -38.8 -11.6 40.9 55.8 542 135 D L H X S+ 0 0 5 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.907 110.7 49.4 -61.8 -40.8 -8.9 38.4 57.0 543 136 D K H X S+ 0 0 108 -4,-1.8 4,-2.6 -5,-0.3 -2,-0.2 0.911 108.2 52.7 -67.0 -39.6 -6.3 41.1 56.6 544 137 D K H X S+ 0 0 58 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.929 111.6 47.4 -57.7 -44.5 -8.5 43.5 58.6 545 138 D L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.935 110.4 51.1 -60.6 -47.8 -8.7 40.9 61.3 546 139 D R H X S+ 0 0 78 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.902 108.2 53.4 -57.2 -41.2 -5.0 40.2 61.2 547 140 D N H X S+ 0 0 85 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.910 111.2 44.8 -59.8 -43.9 -4.4 44.0 61.6 548 141 D K H >X S+ 0 0 14 -4,-1.9 3,-1.1 1,-0.2 4,-1.0 0.911 110.5 55.0 -66.8 -41.0 -6.5 44.2 64.7 549 142 D V H >< S+ 0 0 13 -4,-2.7 3,-1.0 1,-0.3 -2,-0.2 0.904 101.8 57.0 -59.4 -44.3 -4.9 41.0 66.2 550 143 D D H 3< S+ 0 0 90 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.725 107.4 51.0 -57.6 -23.0 -1.5 42.6 65.8 551 144 D Q H << 0 0 137 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.698 360.0 360.0 -87.3 -21.1 -2.8 45.4 68.0 552 145 D X << 0 0 66 -3,-1.0 -3,-0.1 -4,-1.0 -398,-0.0 0.395 360.0 360.0 -89.0 360.0 -4.2 43.1 70.7