==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 08-JUN-12 3VTY . COMPND 2 MOLECULE: MAMA; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDATUS MAGNETOBACTERIUM BAVARICUM; . AUTHOR N.ZEYTUNI,D.BARAN,G.DAVIDOV,R.ZARIVACH . 699 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32151.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 601 86.0 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 . 0 0.0 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 . 34 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 481 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.9 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 1 0 0 0 0 0 16 19 0 0 0 0 1 2 1 0 0 0 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 . 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 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 42 A E > 0 0 174 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -48.0 23.0 74.0 22.0 2 43 A T H > + 0 0 54 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.927 360.0 53.8 -42.8 -50.5 25.8 71.3 21.8 3 44 A T H > S+ 0 0 28 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.949 112.9 40.3 -55.1 -53.7 23.1 68.7 22.2 4 45 A T H > S+ 0 0 76 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.944 115.9 50.1 -61.3 -49.0 21.0 70.1 19.2 5 46 A I H X S+ 0 0 81 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.949 118.1 37.3 -55.1 -52.4 24.0 70.8 16.9 6 47 A Y H X S+ 0 0 84 -4,-2.5 4,-2.9 -5,-0.3 -1,-0.2 0.855 112.3 55.8 -84.6 -28.6 25.6 67.4 17.3 7 48 A M H X S+ 0 0 10 -4,-2.4 4,-2.6 -5,-0.4 -1,-0.2 0.954 111.9 45.9 -60.8 -43.2 22.5 65.3 17.4 8 49 A D H X S+ 0 0 60 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.951 112.4 49.6 -67.0 -44.5 21.6 66.9 14.1 9 50 A I H X S+ 0 0 57 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.927 112.1 50.2 -53.8 -48.2 25.1 66.3 12.6 10 51 A G H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.931 108.6 49.7 -60.0 -45.7 24.9 62.7 13.8 11 52 A D H X S+ 0 0 8 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.906 110.0 52.5 -60.5 -42.3 21.5 62.0 12.2 12 53 A K H X S+ 0 0 121 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.941 112.5 44.3 -58.4 -45.8 22.7 63.4 8.9 13 54 A K H <>S+ 0 0 67 -4,-2.3 5,-2.9 2,-0.2 4,-0.3 0.922 113.1 49.9 -64.8 -47.3 25.7 61.1 9.0 14 55 A R H ><5S+ 0 0 52 -4,-2.9 3,-2.1 3,-0.2 -2,-0.2 0.947 108.3 54.6 -55.9 -49.4 23.7 58.0 10.0 15 56 A T H 3<5S+ 0 0 52 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.883 109.5 47.3 -51.7 -39.9 21.2 58.8 7.2 16 57 A K T 3<5S- 0 0 180 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.462 121.9-109.4 -82.6 -2.5 24.1 58.8 4.7 17 58 A G T < 5S+ 0 0 40 -3,-2.1 2,-1.8 -4,-0.3 3,-0.2 0.603 76.8 136.8 83.3 12.6 25.5 55.6 6.2 18 59 A D >< + 0 0 68 -5,-2.9 4,-2.4 -6,-0.2 5,-0.2 -0.590 22.4 164.6 -86.7 74.3 28.5 57.3 7.7 19 60 A F H > + 0 0 62 -2,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.858 68.9 51.8 -67.2 -35.9 28.0 55.2 11.0 20 61 A D H > S+ 0 0 106 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.935 112.5 47.5 -65.0 -42.0 31.4 56.0 12.5 21 62 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.914 110.0 50.9 -65.3 -41.5 30.9 59.6 11.9 22 63 A A H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.927 108.5 54.0 -62.4 -40.5 27.4 59.5 13.4 23 64 A I H X S+ 0 0 21 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.939 106.7 50.9 -58.4 -46.2 28.8 57.8 16.5 24 65 A R H X S+ 0 0 152 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.909 112.1 46.8 -59.5 -47.2 31.4 60.5 16.9 25 66 A A H X S+ 0 0 7 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.948 114.1 47.6 -58.7 -45.9 28.7 63.2 16.8 26 67 A Y H X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.882 108.9 54.2 -66.4 -36.7 26.5 61.2 19.2 27 68 A K H X S+ 0 0 102 -4,-2.9 4,-1.2 -5,-0.2 -1,-0.2 0.893 104.7 55.1 -59.0 -41.9 29.4 60.7 21.6 28 69 A K H X S+ 0 0 80 -4,-1.8 4,-1.1 -5,-0.2 3,-0.5 0.912 106.8 50.6 -59.6 -39.8 29.9 64.4 21.6 29 70 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 3,-0.4 0.929 109.7 49.9 -62.1 -44.8 26.3 64.9 22.7 30 71 A L H < S+ 0 0 25 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.689 98.6 67.4 -72.4 -16.5 26.6 62.5 25.5 31 72 A K H < S+ 0 0 179 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.940 116.2 26.7 -61.7 -45.6 29.8 64.2 26.7 32 73 A A H < S+ 0 0 68 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.700 137.8 29.5 -85.5 -26.0 27.8 67.3 27.7 33 74 A D >< + 0 0 54 -4,-1.9 3,-1.5 -5,-0.2 -1,-0.3 -0.709 65.3 172.2-148.4 69.4 24.5 65.5 28.3 34 75 A P T 3 S+ 0 0 80 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.663 78.9 55.9 -63.6 -23.9 25.2 61.9 29.4 35 76 A N T 3 + 0 0 105 -3,-0.1 2,-1.2 31,-0.0 3,-0.1 0.150 69.7 133.9 -96.7 20.4 21.5 61.3 30.2 36 77 A N <> - 0 0 23 -3,-1.5 4,-2.3 1,-0.2 3,-0.2 -0.557 34.8-171.4 -75.9 102.4 20.2 62.2 26.7 37 78 A V H > S+ 0 0 18 -2,-1.2 4,-2.0 1,-0.2 5,-0.2 0.876 80.1 57.8 -64.9 -36.2 17.8 59.3 26.0 38 79 A E H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.927 111.7 41.9 -61.2 -43.6 17.2 60.2 22.4 39 80 A T H > S+ 0 0 0 -3,-0.2 4,-3.3 2,-0.2 5,-0.3 0.885 108.8 59.3 -73.5 -33.6 20.9 59.9 21.6 40 81 A L H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.912 110.2 44.0 -57.2 -35.4 21.3 56.8 23.7 41 82 A L H X S+ 0 0 10 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.941 113.9 47.8 -79.1 -44.5 18.8 55.2 21.5 42 83 A K H X S+ 0 0 14 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.929 113.3 49.1 -60.1 -44.7 20.3 56.5 18.3 43 84 A L H X S+ 0 0 6 -4,-3.3 4,-2.9 1,-0.2 5,-0.2 0.959 110.5 51.4 -59.0 -47.7 23.8 55.4 19.4 44 85 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.900 110.8 46.9 -52.8 -47.5 22.5 51.9 20.3 45 86 A K H X S+ 0 0 56 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.877 111.8 51.7 -66.1 -36.7 20.8 51.4 16.9 46 87 A T H X S+ 0 0 0 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.867 106.9 52.1 -69.9 -39.1 24.0 52.6 15.2 47 88 A Y H ><>S+ 0 0 22 -4,-2.9 5,-2.9 2,-0.2 3,-0.6 0.906 108.8 51.3 -59.5 -45.2 26.1 50.2 17.1 48 89 A M H ><5S+ 0 0 33 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.939 106.1 56.8 -52.5 -44.3 23.7 47.4 16.0 49 90 A D H 3<5S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.719 109.6 43.9 -60.3 -28.1 24.1 48.7 12.4 50 91 A I T <<5S- 0 0 56 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.148 121.4-102.8-104.3 19.0 28.0 48.2 12.6 51 92 A G T < 5S+ 0 0 49 -3,-1.7 -3,-0.2 1,-0.1 3,-0.1 0.852 84.1 122.8 66.9 40.3 27.8 44.8 14.2 52 93 A L >< + 0 0 75 -5,-2.9 4,-2.0 1,-0.1 3,-0.3 -0.563 22.8 160.3-126.1 69.7 28.6 45.8 17.8 53 94 A P H > S+ 0 0 19 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.790 70.1 59.7 -64.7 -29.4 25.6 44.5 19.8 54 95 A N H > S+ 0 0 108 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.927 109.1 44.6 -65.9 -43.8 27.3 44.5 23.2 55 96 A D H > S+ 0 0 61 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.877 112.0 53.8 -60.1 -40.8 28.0 48.3 22.9 56 97 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.965 107.6 51.1 -54.3 -51.3 24.4 48.7 21.7 57 98 A I H X S+ 0 0 13 -4,-2.6 4,-3.1 1,-0.3 -2,-0.2 0.904 107.9 52.3 -57.2 -46.6 23.2 46.8 24.8 58 99 A E H X S+ 0 0 98 -4,-2.2 4,-2.0 1,-0.2 -1,-0.3 0.909 112.7 43.8 -53.7 -44.4 25.2 49.1 27.0 59 100 A S H X S+ 0 0 6 -4,-1.9 4,-1.9 -3,-0.2 -2,-0.2 0.916 114.7 49.0 -74.0 -37.6 23.7 52.2 25.5 60 101 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.875 108.0 55.2 -70.5 -34.5 20.1 50.7 25.5 61 102 A K H X S+ 0 0 120 -4,-3.1 4,-1.8 -5,-0.2 -1,-0.2 0.936 106.7 50.4 -61.2 -43.9 20.5 49.7 29.1 62 103 A K H X S+ 0 0 106 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.877 109.9 51.2 -55.8 -45.8 21.4 53.3 30.0 63 104 A F H >X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 3,-0.6 0.943 107.8 51.6 -54.7 -51.8 18.3 54.5 28.1 64 105 A V H 3< S+ 0 0 13 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.811 105.7 55.1 -69.7 -25.0 15.9 52.1 29.9 65 106 A V H 3< S+ 0 0 113 -4,-1.8 3,-0.3 -5,-0.2 -1,-0.3 0.851 115.8 38.1 -63.4 -38.4 17.2 53.2 33.3 66 107 A L H << S+ 0 0 76 -4,-1.3 2,-0.4 -3,-0.6 -2,-0.2 0.750 132.4 25.1 -86.9 -35.0 16.4 56.9 32.5 67 108 A D >< + 0 0 9 -4,-2.8 3,-0.6 -5,-0.2 -1,-0.3 -0.821 69.0 171.6-132.3 94.8 13.1 56.2 30.6 68 109 A T T 3 + 0 0 76 -2,-0.4 -4,-0.1 -3,-0.3 560,-0.1 0.423 67.8 62.1 -83.7 -6.0 11.7 52.9 31.8 69 110 A T T 3 + 0 0 24 558,-0.5 2,-0.8 528,-0.0 529,-0.4 0.019 67.3 113.5-116.4 29.9 8.4 53.1 30.0 70 111 A S <> - 0 0 0 -3,-0.6 4,-1.4 1,-0.2 5,-0.2 -0.879 44.1-168.8-100.7 106.5 9.5 53.1 26.3 71 112 A A H > S+ 0 0 12 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.884 87.3 58.8 -63.0 -36.6 8.3 49.9 24.8 72 113 A E H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.921 101.8 51.9 -58.2 -46.7 10.4 50.7 21.8 73 114 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.907 111.0 48.1 -57.7 -39.5 13.6 50.8 23.8 74 115 A Y H X S+ 0 0 41 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.894 109.8 53.0 -71.5 -36.4 12.9 47.4 25.3 75 116 A Y H X S+ 0 0 39 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.959 112.1 44.6 -58.6 -48.0 12.1 46.0 21.8 76 117 A I H X S+ 0 0 16 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.905 112.3 51.4 -64.6 -40.9 15.4 47.2 20.6 77 118 A L H X S+ 0 0 12 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.878 110.3 51.0 -59.3 -45.1 17.3 46.0 23.7 78 119 A G H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.894 109.5 49.2 -59.7 -40.0 15.6 42.6 23.1 79 120 A S H X S+ 0 0 10 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.918 109.5 51.4 -68.7 -38.5 16.7 42.6 19.5 80 121 A A H X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.927 108.8 51.6 -65.9 -43.3 20.3 43.4 20.5 81 122 A N H ><>S+ 0 0 12 -4,-2.3 5,-2.5 1,-0.2 3,-0.9 0.905 106.5 55.1 -53.4 -44.0 20.3 40.6 23.0 82 123 A F H ><5S+ 0 0 51 -4,-2.0 3,-1.9 1,-0.3 -2,-0.2 0.886 99.0 61.6 -60.0 -36.6 19.1 38.3 20.3 83 124 A M H 3<5S+ 0 0 91 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.755 109.2 41.2 -62.3 -28.1 22.0 39.2 18.1 84 125 A I T <<5S- 0 0 42 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.017 118.3-108.5-106.3 22.9 24.5 37.9 20.7 85 126 A D T < 5S+ 0 0 120 -3,-1.9 2,-1.4 1,-0.2 -3,-0.2 0.720 71.0 143.3 60.8 25.9 22.4 34.7 21.5 86 127 A E >< + 0 0 105 -5,-2.5 4,-2.4 1,-0.2 -1,-0.2 -0.637 23.1 170.3 -89.0 80.2 21.3 35.9 24.9 87 128 A K H > + 0 0 49 -2,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.894 68.5 44.3 -73.5 -42.7 17.9 34.4 24.4 88 129 A Q H > S+ 0 0 106 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.898 112.2 53.7 -68.4 -39.7 16.4 34.7 27.8 89 130 A A H > S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.890 109.8 50.1 -55.1 -40.3 17.6 38.3 28.1 90 131 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.949 110.8 49.2 -63.4 -46.3 15.8 38.9 24.7 91 132 A I H X S+ 0 0 3 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.942 109.8 50.7 -57.9 -49.3 12.7 37.3 26.0 92 133 A D H X S+ 0 0 83 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.867 112.9 44.7 -57.8 -45.4 12.7 39.4 29.2 93 134 A A H X S+ 0 0 6 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.902 114.1 49.4 -66.9 -40.8 13.1 42.7 27.3 94 135 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.884 108.0 54.4 -68.6 -35.3 10.5 41.8 24.7 95 136 A Q H X S+ 0 0 96 -4,-3.1 4,-2.4 -5,-0.2 -1,-0.2 0.879 108.4 49.7 -65.8 -33.6 8.1 40.8 27.5 96 137 A R H X S+ 0 0 113 -4,-1.4 4,-2.3 -5,-0.2 -2,-0.2 0.911 108.1 52.9 -70.6 -39.2 8.6 44.2 29.0 97 138 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.938 112.2 46.4 -54.5 -48.5 7.9 45.8 25.7 98 139 A I H < S+ 0 0 17 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.899 109.6 52.3 -64.5 -40.8 4.7 43.9 25.5 99 140 A A H < S+ 0 0 51 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.900 111.9 47.3 -59.6 -44.0 3.7 44.7 29.1 100 141 A L H < S+ 0 0 12 -4,-2.3 499,-0.4 1,-0.3 2,-0.3 0.869 133.4 15.2 -65.4 -37.5 4.2 48.4 28.2 101 142 A N >< - 0 0 17 -4,-2.2 3,-1.8 -5,-0.2 -1,-0.3 -0.827 64.9-172.8-140.5 98.3 2.2 48.1 25.0 102 143 A T T 3 S+ 0 0 19 -3,-0.4 -4,-0.1 -2,-0.3 -3,-0.1 0.558 88.6 55.6 -75.7 -3.8 0.1 45.0 24.8 103 144 A V T 3 S+ 0 0 15 -5,-0.1 2,-1.4 31,-0.0 -1,-0.3 -0.035 71.2 130.0-109.1 27.0 -0.7 45.8 21.1 104 145 A Y X> - 0 0 33 -3,-1.8 4,-1.7 1,-0.2 3,-0.8 -0.627 35.0-176.3 -83.3 86.6 2.9 46.1 20.1 105 146 A A H 3> S+ 0 0 2 -2,-1.4 4,-2.2 1,-0.3 -1,-0.2 0.874 78.2 53.4 -51.5 -48.5 2.9 43.9 16.9 106 147 A D H 3> S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.845 107.1 52.5 -60.0 -34.1 6.6 44.0 16.2 107 148 A A H <> S+ 0 0 0 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.918 109.2 48.9 -71.8 -38.3 7.5 42.9 19.8 108 149 A Y H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.927 111.2 50.8 -61.9 -41.0 5.2 39.8 19.5 109 150 A Y H X S+ 0 0 5 -4,-2.2 4,-2.0 1,-0.3 -2,-0.2 0.921 111.5 46.2 -67.4 -44.4 6.7 38.9 16.2 110 151 A K H X S+ 0 0 28 -4,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.878 108.3 56.5 -65.9 -39.2 10.3 39.2 17.5 111 152 A L H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.933 106.1 51.4 -56.9 -43.7 9.3 37.2 20.5 112 153 A G H X S+ 0 0 0 -4,-2.4 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B I H X S+ 0 0 16 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.909 108.4 53.3 -59.1 -43.5 -11.9 44.9 -22.2 234 99 B E H X S+ 0 0 101 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.899 112.0 42.8 -57.2 -48.9 -13.9 47.0 -24.6 235 100 B S H X S+ 0 0 6 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.904 115.3 49.7 -67.3 -40.6 -12.3 50.3 -23.5 236 101 B L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.877 107.4 55.0 -66.6 -33.2 -8.7 48.7 -23.4 237 102 B K H X S+ 0 0 123 -4,-2.8 4,-1.2 -5,-0.2 -2,-0.2 0.932 108.3 48.4 -70.9 -38.6 -9.2 47.3 -27.0 238 103 B K H X S+ 0 0 113 -4,-1.8 4,-1.6 -5,-0.2 3,-0.3 0.895 110.4 53.3 -61.5 -39.5 -10.0 50.7 -28.2 239 104 B F H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 3,-0.3 0.950 107.5 48.6 -59.3 -53.7 -6.9 52.0 -26.4 240 105 B V H < S+ 0 0 13 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.679 106.6 56.6 -73.6 -13.6 -4.5 49.5 -28.0 241 106 B V H < S+ 0 0 114 -4,-1.2 3,-0.3 -3,-0.3 -1,-0.2 0.904 116.1 37.3 -72.0 -39.7 -5.9 50.2 -31.5 242 107 B L H < S+ 0 0 84 -4,-1.6 2,-0.4 1,-0.3 -2,-0.2 0.801 131.6 28.3 -84.6 -32.7 -5.0 53.9 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-18.0 253 118 B L H X S+ 0 0 12 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.923 111.2 47.5 -58.7 -41.8 -5.9 44.1 -21.0 254 119 B G H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.953 111.2 50.8 -63.6 -47.6 -4.4 40.8 -20.0 255 120 B S H X S+ 0 0 11 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.883 111.0 48.2 -57.2 -41.7 -5.4 41.3 -16.4 256 121 B A H X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.877 109.1 53.3 -69.4 -42.2 -9.1 42.0 -17.5 257 122 B N H ><>S+ 0 0 14 -4,-2.5 5,-3.0 -5,-0.2 3,-0.8 0.902 104.3 56.4 -56.9 -38.3 -9.2 39.0 -19.8 258 123 B F H ><5S+ 0 0 50 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.866 99.4 60.4 -63.5 -38.2 -8.1 36.8 -16.9 259 124 B M H 3<5S+ 0 0 87 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.736 106.5 45.5 -59.3 -30.8 -11.1 38.1 -14.8 260 125 B I T <<5S- 0 0 49 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.099 120.1-116.2 -95.8 26.0 -13.5 36.6 -17.5 261 126 B D T < 5 + 0 0 113 -3,-1.9 2,-1.3 1,-0.2 -3,-0.2 0.761 66.2 148.8 33.4 42.9 -11.3 33.5 -17.3 262 127 B E >< + 0 0 101 -5,-3.0 4,-2.3 1,-0.2 -1,-0.2 -0.760 19.5 172.6 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49.0 -63.9 -43.4 2.4 41.4 -26.1 273 138 B A H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.925 112.3 48.4 -57.7 -44.4 3.2 43.5 -23.0 274 139 B I H < S+ 0 0 16 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.891 107.7 54.7 -66.8 -38.6 6.4 41.5 -22.5 275 140 B A H < S+ 0 0 69 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.883 111.6 45.7 -62.5 -36.6 7.4 41.9 -26.3 276 141 B L H < S+ 0 0 22 -4,-1.9 148,-0.3 1,-0.3 -1,-0.2 0.722 131.7 19.9 -74.6 -26.1 7.1 45.7 -25.8 277 142 B N >< - 0 0 11 -4,-1.3 3,-1.8 -3,-0.2 -1,-0.3 -0.692 61.8-177.2-147.1 93.7 9.1 45.6 -22.5 278 143 B T T 3 S+ 0 0 19 -3,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.516 88.3 54.4 -79.4 -0.4 11.2 42.6 -21.9 279 144 B V T 3 S+ 0 0 9 -5,-0.1 2,-1.6 31,-0.0 -1,-0.3 -0.058 72.8 129.0-109.4 28.6 12.1 43.9 -18.4 280 145 B Y X> - 0 0 32 -3,-1.8 4,-1.9 1,-0.2 3,-0.9 -0.612 35.0-178.2 -84.7 82.0 8.4 44.3 -17.4 281 146 B A H 3> S+ 0 0 5 -2,-1.6 4,-2.4 1,-0.3 -1,-0.2 0.892 75.8 54.9 -53.7 -44.9 8.6 42.4 -14.1 282 147 B D H 3> S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.824 107.7 49.8 -60.2 -33.0 4.8 42.8 -13.4 283 148 B A H <> S+ 0 0 0 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.876 110.1 49.1 -75.7 -39.1 3.8 41.3 -16.7 284 149 B Y H X S+ 0 0 18 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.936 111.3 51.3 -59.6 -46.1 6.1 38.3 -16.3 285 150 B Y H X S+ 0 0 4 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.949 112.8 44.0 -57.8 -52.7 4.7 37.8 -12.7 286 151 B K H X S+ 0 0 38 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.894 109.5 56.8 -60.3 -39.7 1.0 37.9 -13.9 287 152 B L H X S+ 0 0 12 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.931 106.6 50.4 -58.7 -42.1 1.8 35.7 -16.8 288 153 B G H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.871 108.2 51.5 -62.2 -40.2 3.2 33.1 -14.4 289 154 B L H X S+ 0 0 37 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.944 110.2 50.2 -63.4 -45.8 -0.1 33.3 -12.3 290 155 B V H X S+ 0 0 0 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.950 112.7 46.1 -55.2 -52.8 -2.1 32.7 -15.4 291 156 B Y H ><>S+ 0 0 23 -4,-2.7 5,-2.3 1,-0.2 3,-1.6 0.912 111.2 52.2 -53.5 -46.3 0.0 29.7 -16.3 292 157 B D H ><5S+ 0 0 36 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.879 104.1 57.4 -65.8 -32.6 -0.2 28.3 -12.8 293 158 B S H 3<5S+ 0 0 49 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.604 105.3 51.5 -72.0 -13.8 -3.9 28.6 -12.9 294 159 B M T <<5S- 0 0 64 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.322 122.5-105.5 -97.3 4.8 -3.9 26.3 -16.0 295 160 B G T < 5S+ 0 0 44 -3,-1.6 2,-1.8 -4,-0.2 3,-0.2 0.480 82.4 132.4 82.2 5.9 -1.8 23.7 -14.2 296 161 B E >< + 0 0 70 -5,-2.3 4,-2.1 1,-0.2 -1,-0.1 -0.501 21.9 160.4 -92.1 68.7 1.2 24.7 -16.2 297 162 B H H > + 0 0 44 -2,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.816 66.2 53.3 -69.9 -32.5 3.6 24.9 -13.3 298 163 B D H > S+ 0 0 102 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.934 111.6 45.9 -66.8 -45.3 6.9 24.7 -15.1 299 164 B K H > S+ 0 0 114 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.897 111.8 54.8 -59.6 -40.8 5.9 27.6 -17.4 300 165 B A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.977 108.6 46.6 -53.8 -55.4 4.7 29.4 -14.3 301 166 B I H X S+ 0 0 9 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.877 110.4 52.2 -57.9 -41.0 8.2 29.0 -12.6 302 167 B E H X S+ 0 0 116 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.924 111.0 48.5 -64.9 -39.1 10.1 30.1 -15.7 303 168 B A H X S+ 0 0 6 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.907 112.8 47.5 -65.7 -43.6 7.9 33.3 -15.8 304 169 B Y H X S+ 0 0 2 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.865 109.1 54.0 -63.7 -37.2 8.5 33.9 -12.0 305 170 B E H X S+ 0 0 70 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.884 107.8 50.7 -68.1 -33.3 12.3 33.4 -12.4 306 171 B K H X S+ 0 0 37 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.2 0.933 106.1 56.2 -67.3 -45.9 12.2 36.0 -15.2 307 172 B T H >X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 3,-1.0 0.942 109.9 44.3 -46.3 -49.6 10.4 38.3 -12.8 308 173 B I H 3< S+ 0 0 9 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.850 104.7 61.8 -75.7 -29.8 13.1 38.0 -10.2 309 174 B S H 3< S+ 0 0 2 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.725 114.0 37.7 -62.1 -24.9 15.9 38.4 -12.7 310 175 B I H << S+ 0 0 7 -3,-1.0 -2,-0.2 -4,-1.0 -1,-0.2 0.874 135.5 18.8 -89.2 -54.1 14.4 41.8 -13.4 311 176 B K >< - 0 0 116 -4,-2.9 3,-2.1 -5,-0.2 -1,-0.2 -0.865 66.7-171.4-120.2 89.7 13.4 42.8 -9.8 312 177 B P T 3 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.808 86.8 57.2 -59.4 -21.5 15.4 40.6 -7.3 313 178 B G T 3 + 0 0 54 1,-0.1 2,-2.1 -5,-0.1 3,-0.2 0.197 67.9 123.2 -90.9 20.7 13.2 42.0 -4.4 314 179 B F X> + 0 0 14 -3,-2.1 3,-1.9 1,-0.2 4,-0.8 -0.525 39.8 179.7 -79.9 81.8 10.0 40.9 -6.1 315 180 B I H >> S+ 0 0 16 -2,-2.1 4,-1.9 1,-0.3 3,-0.7 0.849 70.6 62.2 -59.8 -40.6 9.0 38.8 -3.0 316 181 B R H 3> S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.740 96.4 62.2 -58.0 -25.8 5.7 37.5 -4.3 317 182 B A H <> S+ 0 0 0 -3,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.902 103.7 47.1 -69.7 -38.6 7.6 35.7 -7.2 318 183 B Y H S+ 0 0 35 -4,-2.4 5,-2.6 2,-0.2 4,-0.4 0.861 107.5 52.7 -64.3 -37.2 6.3 23.5 -6.5 326 191 B E H ><5S+ 0 0 23 -4,-1.8 3,-1.8 3,-0.2 -2,-0.2 0.942 106.0 54.0 -57.8 -48.1 3.5 22.5 -4.1 327 192 B G H 3<5S+ 0 0 46 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.858 108.6 49.0 -56.0 -38.0 1.3 22.2 -7.2 328 193 B K T 3<5S- 0 0 74 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.516 117.5-113.8 -74.9 -9.2 4.0 19.8 -8.7 329 194 B G T < 5S+ 0 0 53 -3,-1.8 2,-1.5 -4,-0.4 -3,-0.2 0.531 78.3 130.8 85.5 6.3 4.1 17.8 -5.5 330 195 B L >< + 0 0 75 -5,-2.6 4,-2.0 1,-0.2 -1,-0.2 -0.569 26.1 165.8 -95.0 74.8 7.7 18.9 -4.8 331 196 B R H > + 0 0 76 -2,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.835 68.3 48.9 -71.4 -32.0 7.0 19.8 -1.2 332 197 B D H > S+ 0 0 103 2,-0.2 4,-1.1 -3,-0.2 -1,-0.2 0.859 110.8 50.7 -76.9 -32.8 10.6 20.1 0.0 333 198 B E H > S+ 0 0 60 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.874 107.2 55.6 -65.1 -39.9 11.7 22.3 -2.9 334 199 B A H >X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 3,-0.6 0.904 101.0 57.8 -55.3 -46.8 8.7 24.5 -2.2 335 200 B V H 3X S+ 0 0 15 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.874 98.8 59.9 -59.1 -36.7 9.9 25.0 1.4 336 201 B K H 3X S+ 0 0 120 -4,-1.1 4,-1.5 1,-0.2 -1,-0.2 0.887 108.2 45.4 -53.6 -43.3 13.3 26.4 0.1 337 202 B Y H 0 0 172 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -52.6 23.7 27.6 -27.3 354 43 C T H > + 0 0 45 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.859 360.0 55.9 -55.9 -36.2 26.1 30.2 -25.8 355 44 C T H > S+ 0 0 36 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.956 108.5 43.3 -66.5 -50.6 23.2 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0.902 112.3 46.4 -61.8 -43.1 -5.9 60.1 18.6 607 121 D A H X S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.910 109.3 53.8 -68.5 -42.0 -9.5 59.4 19.5 608 122 D N H <>S+ 0 0 12 -4,-2.5 5,-3.1 1,-0.2 3,-0.3 0.886 108.1 51.1 -59.5 -38.0 -10.0 62.7 21.2 609 123 D F H ><5S+ 0 0 49 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.924 105.7 55.7 -64.5 -44.7 -8.7 64.5 18.2 610 124 D M H 3<5S+ 0 0 106 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.831 110.4 44.8 -57.6 -32.5 -11.2 62.6 16.0 611 125 D I T 3<5S- 0 0 48 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.183 120.3-107.6 -98.0 17.5 -14.1 63.8 18.1 612 126 D D T < 5S+ 0 0 114 -3,-2.0 2,-1.3 1,-0.2 -3,-0.2 0.694 75.4 137.9 63.0 26.2 -12.8 67.4 18.2 613 127 D E >< + 0 0 105 -5,-3.1 4,-1.8 1,-0.2 -1,-0.2 -0.683 25.4 169.2 -95.3 77.0 -11.8 67.3 21.8 614 128 D K H > + 0 0 68 -2,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.932 68.0 44.6 -65.9 -47.4 -8.7 69.1 20.9 615 129 D Q H > S+ 0 0 99 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.868 111.9 52.0 -63.3 -40.3 -7.4 70.0 24.3 616 130 D A H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 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0.840 113.4 40.1 -63.3 -30.8 6.2 61.9 29.1 627 141 D L H < S+ 0 0 25 -4,-1.3 -558,-0.5 -3,-0.3 2,-0.4 0.767 126.8 32.0 -83.8 -33.1 6.3 58.1 29.2 628 142 D N >< - 0 0 11 -4,-2.1 3,-1.9 -5,-0.1 -1,-0.3 -0.798 67.1-172.4-132.4 90.7 8.1 57.5 25.9 629 143 D T T 3 S+ 0 0 53 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.1 0.596 87.0 49.1 -57.0 -21.8 10.4 60.5 25.2 630 144 D V T 3 S+ 0 0 1 -3,-0.1 2,-1.8 -593,-0.1 -1,-0.3 0.070 70.8 136.0-114.0 29.8 11.2 59.2 21.7 631 145 D Y X> + 0 0 25 -3,-1.9 4,-2.0 -6,-0.2 3,-0.5 -0.489 26.3 177.7 -81.3 81.0 7.6 58.6 20.6 632 146 D A H 3> S+ 0 0 5 -2,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.874 77.0 52.7 -46.6 -49.3 7.8 60.1 17.1 633 147 D D H 3> S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.844 108.9 50.4 -59.8 -36.3 4.1 59.3 16.2 634 148 D A H <> S+ 0 0 0 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.891 110.1 49.2 -73.5 -41.6 2.9 61.0 19.3 635 149 D Y H X S+ 0 0 27 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.878 110.3 52.3 -60.8 -38.9 4.9 64.2 18.6 636 150 D Y H X S+ 0 0 8 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.960 111.3 44.6 -63.0 -45.6 3.6 64.2 15.1 637 151 D K H X S+ 0 0 46 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.865 109.8 57.0 -68.7 -36.4 -0.1 64.0 16.1 638 152 D L H X S+ 0 0 15 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.923 106.6 50.9 -56.8 -45.3 0.6 66.6 18.8 639 153 D G H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.935 109.6 48.6 -50.3 -52.9 1.8 68.8 16.0 640 154 D L H X S+ 0 0 35 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.896 112.2 49.1 -59.4 -42.0 -1.4 68.2 14.0 641 155 D V H X S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.963 111.3 49.2 -67.0 -44.5 -3.6 68.9 17.1 642 156 D Y H ><>S+ 0 0 23 -4,-3.1 5,-2.7 1,-0.2 3,-0.6 0.915 109.8 51.4 -60.5 -45.4 -1.7 72.2 17.9 643 157 D D H ><5S+ 0 0 41 -4,-2.8 3,-2.0 1,-0.2 -1,-0.2 0.942 107.5 53.4 -54.7 -46.0 -2.1 73.3 14.2 644 158 D S H 3<5S+ 0 0 48 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.725 108.5 50.7 -62.5 -23.8 -5.8 72.6 14.4 645 159 D M T <<5S- 0 0 56 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.368 119.3-111.7 -91.2 4.0 -5.9 74.8 17.5 646 160 D G T < 5S+ 0 0 49 -3,-2.0 2,-1.1 -4,-0.3 -3,-0.2 0.610 80.3 129.8 75.2 12.9 -4.1 77.7 15.8 647 161 D E >< + 0 0 53 -5,-2.7 4,-2.0 -6,-0.2 -1,-0.1 -0.577 23.2 160.2 -97.6 71.0 -1.0 77.1 18.0 648 162 D H H > + 0 0 81 -2,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.741 65.6 56.5 -72.5 -27.7 1.5 76.9 15.1 649 163 D D H > S+ 0 0 103 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.920 111.3 45.1 -68.2 -46.4 4.7 77.7 17.1 650 164 D K H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.870 112.5 53.1 -59.9 -37.5 3.9 74.7 19.4 651 165 D A H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.947 107.4 49.7 -61.2 -50.4 3.1 72.7 16.3 652 166 D I H X S+ 0 0 10 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.904 110.3 51.0 -56.3 -42.5 6.5 73.5 14.7 653 167 D E H X S+ 0 0 124 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.913 111.5 47.9 -62.0 -42.0 8.3 72.5 17.8 654 168 D A H X S+ 0 0 5 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.915 112.1 48.8 -67.7 -45.0 6.4 69.2 17.9 655 169 D Y H X S+ 0 0 1 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.882 109.3 53.6 -58.2 -43.0 7.2 68.6 14.2 656 170 D E H X S+ 0 0 82 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.906 108.1 49.7 -57.2 -42.1 10.8 69.4 14.8 657 171 D K H X S+ 0 0 72 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.917 108.7 53.6 -60.6 -40.7 10.9 66.8 17.6 658 172 D T H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.919 110.7 45.4 -62.8 -44.7 9.4 64.3 15.3 659 173 D I H < S+ 0 0 26 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.891 109.2 56.4 -67.9 -39.0 12.1 64.9 12.6 660 174 D S H < S+ 0 0 16 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.910 116.4 36.2 -55.9 -47.1 14.8 64.8 15.3 661 175 D I H < S+ 0 0 24 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.846 133.3 24.2 -71.9 -42.9 13.6 61.3 16.3 662 176 D K >< - 0 0 96 -4,-2.9 3,-2.7 -5,-0.2 -1,-0.2 -0.758 63.2-177.1-131.4 83.7 12.7 60.0 12.8 663 177 D P T 3 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.694 84.5 62.0 -57.6 -21.7 14.5 61.8 10.0 664 178 D G T 3 + 0 0 55 1,-0.1 2,-1.9 -3,-0.1 3,-0.2 0.386 69.7 116.8 -82.8 5.1 12.6 59.9 7.5 665 179 D F X> + 0 0 13 -3,-2.7 3,-1.4 1,-0.2 4,-1.0 -0.465 40.5 177.9 -77.8 85.3 9.3 61.4 8.7 666 180 D I H >> S+ 0 0 25 -2,-1.9 4,-2.0 1,-0.3 3,-0.7 0.880 72.2 59.3 -58.0 -47.1 8.3 63.2 5.4 667 181 D R H 3> S+ 0 0 57 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.750 99.4 58.2 -53.7 -32.2 5.0 64.5 6.6 668 182 D A H <> S+ 0 0 0 -3,-1.4 4,-1.9 2,-0.2 -1,-0.3 0.876 106.1 47.8 -67.9 -40.8 6.7 66.4 9.4 669 183 D Y H <>S+ 0 0 29 -4,-2.9 5,-2.7 2,-0.2 3,-0.5 0.911 108.7 52.5 -61.0 -39.4 6.1 78.5 7.8 677 191 D E H ><5S+ 0 0 12 -4,-2.4 3,-2.0 1,-0.3 -2,-0.2 0.918 106.1 56.0 -63.6 -38.5 4.0 79.5 4.7 678 192 D G H 3<5S+ 0 0 71 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.811 106.9 48.1 -61.8 -28.0 1.2 80.4 7.1 679 193 D K T <<5S- 0 0 95 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.243 118.8-112.2 -91.0 6.4 3.5 82.8 9.0 680 194 D G T < 5S+ 0 0 37 -3,-2.0 2,-1.1 1,-0.2 -3,-0.2 0.694 74.2 137.6 66.9 18.5 4.6 84.3 5.6 681 195 D L >< + 0 0 89 -5,-2.7 4,-2.5 1,-0.2 -1,-0.2 -0.633 21.9 169.3 -97.9 80.3 8.2 82.9 6.1 682 196 D R H > + 0 0 79 -2,-1.1 4,-3.1 1,-0.2 5,-0.2 0.891 68.8 51.3 -62.9 -44.8 8.8 81.7 2.5 683 197 D D H > S+ 0 0 125 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.901 112.9 46.2 -64.3 -40.1 12.5 80.9 2.6 684 198 D E H > S+ 0 0 76 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.956 111.3 51.6 -67.5 -46.3 12.1 78.8 5.7 685 199 D A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 3,-0.4 0.925 108.1 53.6 -51.5 -47.4 9.2 77.0 4.2 686 200 D V H X S+ 0 0 10 -4,-3.1 4,-2.8 1,-0.3 5,-0.3 0.863 102.9 55.3 -59.3 -41.5 11.1 76.3 1.0 687 201 D K H X S+ 0 0 97 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.3 0.907 111.1 45.3 -57.9 -40.7 14.0 74.7 2.8 688 202 D Y H X S+ 0 0 36 -4,-1.6 4,-2.2 -3,-0.4 -2,-0.2 0.897 112.5 50.4 -75.7 -34.8 11.6 72.3 4.5 689 203 D F H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.916 110.5 50.3 -68.5 -37.6 9.7 71.5 1.2 690 204 D K H X S+ 0 0 129 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.917 110.5 49.8 -65.5 -40.2 13.0 70.8 -0.5 691 205 D K H X S+ 0 0 66 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.914 108.2 52.6 -61.2 -44.5 14.0 68.5 2.2 692 206 D A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.951 109.6 49.3 -56.5 -46.7 10.7 66.7 2.1 693 207 D L H X S+ 0 0 28 -4,-2.3 4,-3.3 1,-0.2 -1,-0.2 0.907 106.7 55.4 -62.7 -39.8 11.2 66.1 -1.7 694 208 D E H X S+ 0 0 107 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.925 110.6 45.2 -58.8 -43.2 14.6 64.8 -1.2 695 209 D K H X S+ 0 0 21 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.873 111.5 52.9 -67.9 -35.3 13.3 62.2 1.2 696 210 D E H X S+ 0 0 12 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.928 110.7 47.3 -63.1 -44.3 10.5 61.5 -1.2 697 211 D E H X S+ 0 0 53 -4,-3.3 4,-1.9 2,-0.2 -2,-0.2 0.891 111.7 50.1 -64.7 -42.3 13.1 60.9 -3.9 698 212 D K H X S+ 0 0 108 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.953 113.5 45.8 -56.3 -49.8 15.2 58.7 -1.6 699 213 D K H < S+ 0 0 102 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.773 109.5 55.3 -63.8 -33.7 12.1 56.6 -0.7 700 214 D A H < S+ 0 0 36 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.863 111.5 42.9 -70.6 -41.1 11.1 56.3 -4.3 701 215 D K H < 0 0 181 -4,-1.9 -2,-0.2 -3,-0.1 -3,-0.1 0.988 360.0 360.0 -58.6 -69.5 14.5 54.9 -5.3 702 216 D Y < 0 0 229 -4,-2.4 -3,-0.2 -5,-0.1 -4,-0.1 0.181 360.0 360.0 157.1 360.0 14.2 52.8 -2.2