==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 20-DEC-10 2Y3D . COMPND 2 MOLECULE: NICKEL AND COBALT RESISTANCE PROTEIN CNRR; . SOURCE 2 ORGANISM_SCIENTIFIC: CUPRIAVIDUS METALLIDURANS; . AUTHOR J.TREPREAU,E.GIRARD,A.P.MAILLARD,E.DE ROSNY,I.PETIT-HAERTLEI . 220 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 85.5 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 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 35 A E > 0 0 152 0, 0.0 3,-1.0 0, 0.0 108,-0.1 0.000 360.0 360.0 360.0 165.6 28.7 62.0 34.0 2 36 A A T 3 - 0 0 2 1,-0.2 107,-0.2 106,-0.2 106,-0.1 0.691 360.0 -70.3 61.9 21.1 32.4 62.9 34.4 3 37 A G T 3> S+ 0 0 19 105,-0.2 4,-2.2 104,-0.1 -1,-0.2 0.758 89.6 153.6 70.7 28.5 32.4 59.9 36.8 4 38 A H H X> + 0 0 15 -3,-1.0 4,-2.1 1,-0.2 3,-0.6 0.942 65.3 51.6 -56.8 -58.5 30.3 61.8 39.3 5 39 A G H 3> S+ 0 0 45 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.887 115.6 42.3 -42.1 -52.2 28.7 58.9 41.1 6 40 A D H 3> S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.773 109.4 57.7 -71.6 -29.3 32.1 57.2 41.6 7 41 A L H X S+ 0 0 4 -4,-1.0 4,-1.7 -3,-0.2 3,-1.5 0.915 106.5 52.6 -75.3 -46.6 34.5 61.1 49.0 12 46 A H H 3< S+ 0 0 82 -4,-2.8 5,-0.2 1,-0.3 -2,-0.2 0.745 117.6 42.7 -54.0 -21.7 32.4 58.9 51.2 13 47 A E T 3< S+ 0 0 167 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.126 115.1 42.7-121.8 15.6 35.6 56.9 51.6 14 48 A A T <4 S+ 0 0 21 -3,-1.5 -3,-0.2 1,-0.4 -2,-0.1 0.568 110.9 49.7-128.6 -44.1 38.4 59.5 52.1 15 49 A V S < S- 0 0 14 -4,-1.7 -1,-0.4 -5,-0.2 4,-0.1 -0.918 92.3-132.6 -98.0 115.4 36.8 62.0 54.4 16 50 A P > - 0 0 62 0, 0.0 3,-1.2 0, 0.0 4,-0.4 -0.303 13.6-119.4 -71.8 154.3 35.4 59.9 57.3 17 51 A L T 3 S+ 0 0 125 1,-0.3 3,-0.1 -5,-0.2 6,-0.1 0.483 118.1 60.7 -70.3 -4.2 31.9 60.5 58.7 18 52 A D T 3 S+ 0 0 142 1,-0.1 -1,-0.3 4,-0.0 0, 0.0 -0.205 92.9 76.0-107.2 33.2 33.6 61.3 62.0 19 53 A A S < S- 0 0 21 -3,-1.2 -2,-0.2 -4,-0.1 -1,-0.1 0.709 78.7-147.9-115.0 -34.6 35.3 64.1 60.1 20 54 A N S > S+ 0 0 88 -4,-0.4 4,-0.9 1,-0.1 -3,-0.1 0.345 86.6 92.5 65.5 -5.3 32.8 67.0 59.6 21 55 A E H > S+ 0 0 71 -5,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.543 81.6 71.0 -66.2 -17.4 34.3 67.9 56.4 22 56 A R H > S+ 0 0 86 -6,-0.3 4,-2.7 2,-0.2 5,-0.2 0.921 91.2 49.4 -65.8 -52.3 31.4 65.5 55.8 23 57 A E H > S+ 0 0 98 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.919 113.7 46.7 -52.5 -46.2 28.8 68.0 56.7 24 58 A I H X S+ 0 0 93 -4,-0.9 4,-2.0 1,-0.2 3,-0.3 0.939 111.3 52.6 -64.9 -45.9 30.3 70.6 54.4 25 59 A L H X S+ 0 0 15 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.935 109.1 48.4 -52.8 -50.7 30.7 68.0 51.6 26 60 A E H X S+ 0 0 44 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.770 107.9 54.9 -69.0 -25.6 27.0 67.0 51.8 27 61 A L H X S+ 0 0 100 -4,-1.5 4,-1.8 -3,-0.3 -1,-0.2 0.870 108.5 48.6 -69.3 -40.7 25.8 70.6 51.7 28 62 A K H X S+ 0 0 64 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.909 111.6 51.2 -63.5 -39.0 27.7 71.1 48.5 29 63 A E H X S+ 0 0 22 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.906 104.9 54.9 -65.5 -43.5 26.2 67.9 47.2 30 64 A D H X S+ 0 0 96 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.909 109.8 48.2 -54.0 -45.4 22.7 69.1 48.1 31 65 A A H X S+ 0 0 44 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.955 113.4 45.7 -63.9 -48.8 23.3 72.3 46.0 32 66 A F H X S+ 0 0 5 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.918 108.9 55.8 -60.0 -45.7 24.6 70.3 43.1 33 67 A A H X S+ 0 0 17 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.902 110.0 47.4 -52.6 -42.8 21.7 67.8 43.3 34 68 A Q H X S+ 0 0 84 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.905 111.6 48.0 -67.0 -44.3 19.2 70.6 43.0 35 69 A R H X S+ 0 0 144 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.885 112.2 51.1 -62.3 -39.3 20.9 72.4 40.1 36 70 A R H X S+ 0 0 72 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.909 107.2 52.4 -64.2 -43.8 21.2 69.0 38.3 37 71 A R H X S+ 0 0 134 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.853 112.0 46.6 -62.0 -35.1 17.5 68.3 38.8 38 72 A E H X S+ 0 0 105 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.942 114.1 45.4 -73.8 -47.5 16.6 71.7 37.3 39 73 A I H X S+ 0 0 19 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.923 112.9 52.4 -62.5 -41.8 18.9 71.4 34.3 40 74 A E H X S+ 0 0 72 -4,-3.2 4,-3.0 2,-0.2 5,-0.2 0.910 106.2 52.6 -59.7 -44.1 17.7 67.8 33.7 41 75 A T H X S+ 0 0 77 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.924 110.2 49.9 -56.2 -42.8 14.1 69.0 33.8 42 76 A R H X S+ 0 0 117 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.819 110.0 49.6 -65.7 -33.9 15.1 71.5 31.1 43 77 A L H X S+ 0 0 35 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.926 108.1 53.4 -72.1 -43.1 16.8 68.9 29.0 44 78 A R H X S+ 0 0 150 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.894 109.9 49.5 -55.3 -39.9 13.8 66.6 29.2 45 79 A A H X S+ 0 0 61 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.855 108.2 51.0 -69.9 -36.1 11.7 69.5 27.9 46 80 A A H X S+ 0 0 2 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.903 110.7 50.8 -68.7 -38.1 14.0 70.3 25.0 47 81 A N H X S+ 0 0 18 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.936 110.8 47.6 -60.7 -48.2 13.8 66.6 24.1 48 82 A G H X S+ 0 0 11 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.901 110.7 53.0 -57.0 -41.1 10.0 66.7 24.2 49 83 A K H X S+ 0 0 114 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.855 109.9 47.0 -68.0 -36.6 10.1 69.9 22.1 50 84 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.922 113.9 48.2 -68.0 -44.8 12.2 68.3 19.5 51 85 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.916 110.5 52.6 -61.2 -42.3 10.0 65.2 19.5 52 86 A D H X S+ 0 0 92 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.884 107.2 51.4 -60.8 -41.6 6.9 67.5 19.2 53 87 A A H X S+ 0 0 5 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.944 111.5 46.8 -61.5 -45.9 8.3 69.3 16.2 54 88 A I H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.851 110.7 51.8 -67.2 -35.4 9.0 66.1 14.4 55 89 A A H < S+ 0 0 54 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.819 111.2 48.4 -69.1 -31.8 5.5 64.7 15.2 56 90 A K H < S+ 0 0 153 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.863 138.1 1.1 -75.4 -37.6 4.0 67.9 13.8 57 91 A N < - 0 0 88 -4,-2.3 2,-1.9 -5,-0.2 -1,-0.3 -0.712 68.8-149.7-158.7 102.7 6.1 67.7 10.7 58 92 A P + 0 0 28 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.473 65.9 82.6 -78.1 74.0 8.6 64.8 10.1 59 93 A A S S- 0 0 36 -2,-1.9 2,-0.2 139,-0.0 5,-0.2 -0.963 89.1 -81.7-166.3 157.5 11.2 66.6 8.0 60 94 A W + 0 0 87 -2,-0.3 3,-0.0 132,-0.1 132,-0.0 -0.496 61.2 153.6 -67.5 134.0 14.2 68.7 8.6 61 95 A S > - 0 0 24 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.941 61.6 -99.2-150.2 170.6 13.1 72.4 9.1 62 96 A P H > S+ 0 0 107 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.862 125.6 55.4 -61.4 -32.6 14.3 75.6 10.8 63 97 A E H > S+ 0 0 89 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.883 110.0 43.4 -64.9 -40.4 11.9 74.6 13.6 64 98 A V H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 114.4 49.4 -73.9 -41.3 13.6 71.1 14.0 65 99 A E H X S+ 0 0 75 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.947 108.9 54.6 -61.2 -46.9 17.1 72.6 13.8 66 100 A A H >X S+ 0 0 51 -4,-2.6 4,-1.9 1,-0.2 3,-1.3 0.957 108.4 47.4 -47.5 -59.5 16.1 75.2 16.3 67 101 A A H 3X S+ 0 0 5 -4,-2.0 4,-1.7 1,-0.3 -1,-0.2 0.863 106.9 58.6 -52.1 -41.3 15.0 72.5 18.8 68 102 A T H 3X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.852 105.9 49.2 -55.9 -35.2 18.2 70.6 18.2 69 103 A Q H < S+ 0 0 11 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.854 108.8 53.6 -68.7 -34.9 34.7 69.0 45.5 90 124 A R H >< S+ 0 0 45 -4,-1.5 3,-2.3 1,-0.2 -2,-0.2 0.921 101.5 57.8 -63.7 -46.2 38.3 68.2 44.7 91 125 A A H 3< S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.681 106.4 51.0 -59.7 -18.9 39.5 71.6 46.1 92 126 A G T << S+ 0 0 55 -3,-0.6 2,-0.4 -4,-0.6 -1,-0.3 0.374 91.3 97.5-100.1 1.9 38.0 70.6 49.5 93 127 A L S < S- 0 0 8 -3,-2.3 5,-0.1 -4,-0.1 4,-0.1 -0.775 85.6-106.1 -94.4 134.1 39.6 67.2 49.5 94 128 A K >> - 0 0 105 -2,-0.4 3,-2.2 1,-0.1 4,-0.7 -0.368 34.0-112.2 -58.0 131.9 42.9 66.7 51.5 95 129 A P T 34 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.627 110.8 75.7 -38.2 -24.3 45.9 66.5 49.2 96 130 A E T 34 S+ 0 0 138 1,-0.2 4,-0.1 2,-0.1 -2,-0.1 0.450 104.2 33.7 -73.4 -1.1 46.3 62.8 50.3 97 131 A H T X> S+ 0 0 55 -3,-2.2 4,-2.4 -7,-0.1 3,-0.6 0.560 88.1 90.3-130.2 -21.0 43.3 61.8 48.1 98 132 A R H 3X S+ 0 0 63 -4,-0.7 4,-3.4 1,-0.2 5,-0.3 0.861 84.3 63.3 -45.6 -40.7 43.4 64.1 45.1 99 133 A P H 3> S+ 0 0 90 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.934 110.0 35.6 -51.5 -53.7 45.7 61.4 43.4 100 134 A A H <> S+ 0 0 57 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.892 117.9 52.5 -69.7 -42.7 43.0 58.7 43.4 101 135 A Y H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.933 107.9 51.7 -54.8 -49.7 40.1 61.2 42.8 102 136 A D H X S+ 0 0 27 -4,-3.4 4,-2.5 -5,-0.2 5,-0.3 0.811 105.3 57.5 -60.9 -32.2 41.9 62.6 39.8 103 137 A R H X S+ 0 0 164 -4,-1.2 4,-3.0 -5,-0.3 -1,-0.2 0.980 107.6 44.8 -60.7 -58.7 42.3 59.1 38.3 104 138 A V H X S+ 0 0 35 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.899 114.7 50.7 -52.7 -46.2 38.6 58.3 38.3 105 139 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.978 113.3 41.6 -59.5 -60.8 37.9 61.8 36.8 106 140 A I H X S+ 0 0 26 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.912 113.0 55.8 -56.7 -44.8 40.3 61.6 34.0 107 141 A D H >< S+ 0 0 73 -4,-3.0 3,-0.5 -5,-0.3 -1,-0.2 0.976 111.2 42.9 -46.3 -65.6 39.4 58.0 33.3 108 142 A A H 3< S+ 0 0 19 -4,-2.6 3,-0.4 1,-0.3 -1,-0.2 0.826 111.5 54.7 -53.6 -38.7 35.7 58.9 32.9 109 143 A L H 3< S+ 0 0 5 -4,-2.6 2,-2.1 1,-0.3 -1,-0.3 0.915 97.9 65.5 -62.9 -42.3 36.5 62.0 30.8 110 144 A R << 0 0 130 -4,-2.9 -1,-0.3 -3,-0.5 -2,-0.1 -0.277 360.0 360.0 -76.2 52.4 38.5 59.8 28.4 111 145 A R 0 0 226 -2,-2.1 -3,-0.0 -3,-0.4 44,-0.0 -0.880 360.0 360.0-144.3 360.0 35.4 58.0 27.4 112 !* 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 0.0 113 39 B G > 0 0 55 0, 0.0 4,-1.0 0, 0.0 108,-0.0 0.000 360.0 360.0 360.0-105.5 23.9 57.1 18.0 114 40 B D H > + 0 0 91 2,-0.2 4,-2.3 3,-0.1 5,-0.2 0.690 360.0 64.4 -77.7 -18.5 21.9 54.2 19.3 115 41 B L H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.966 100.0 49.5 -59.4 -51.1 19.1 56.4 17.8 116 42 B H H > S+ 0 0 24 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 113.7 45.3 -51.8 -45.6 20.7 55.9 14.4 117 43 B E H X S+ 0 0 119 -4,-1.0 4,-1.3 1,-0.2 -1,-0.2 0.836 109.3 55.2 -74.0 -32.6 20.8 52.1 14.9 118 44 B I H X S+ 0 0 57 -4,-2.3 4,-0.7 2,-0.2 3,-0.3 0.924 108.1 48.4 -64.7 -43.0 17.3 51.9 16.2 119 45 B L H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 4,-0.3 0.865 105.2 58.2 -70.1 -33.3 15.9 53.6 13.2 120 46 B H H >< S+ 0 0 37 -4,-1.7 3,-0.8 1,-0.2 -1,-0.2 0.867 106.1 51.0 -60.5 -34.0 17.8 51.3 10.9 121 47 B E H 3< S+ 0 0 154 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.613 101.9 58.9 -78.9 -14.5 16.0 48.4 12.6 122 48 B A T << S+ 0 0 29 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.446 85.6 96.6 -88.9 -1.1 12.6 50.0 12.1 123 49 B V < - 0 0 18 -3,-0.8 2,-0.2 -4,-0.3 -1,-0.1 -0.771 67.6-155.3 -95.0 95.7 13.4 49.9 8.4 124 50 B P + 0 0 57 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.474 28.3 152.6 -70.7 135.9 11.8 46.7 6.9 125 51 B L - 0 0 39 -2,-0.2 -2,-0.0 3,-0.0 2,-0.0 -0.970 37.1-125.1-169.3 150.2 13.4 45.4 3.8 126 52 B D > - 0 0 78 -2,-0.3 4,-1.4 1,-0.0 5,-0.2 -0.042 52.0 -80.7 -85.9-169.4 14.2 42.4 1.6 127 53 B A H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.911 128.7 45.4 -62.2 -43.1 17.6 41.1 0.3 128 54 B N H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.955 110.4 50.1 -62.6 -55.0 17.7 43.7 -2.5 129 55 B E H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.781 109.7 53.4 -60.5 -28.5 16.6 46.8 -0.5 130 56 B R H X S+ 0 0 119 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.936 106.3 48.9 -75.7 -46.7 19.2 46.1 2.2 131 57 B E H X S+ 0 0 123 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.935 114.3 48.5 -58.1 -42.7 22.2 45.8 -0.1 132 58 B I H X S+ 0 0 101 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.912 109.8 51.1 -61.1 -44.9 21.1 49.1 -1.7 133 59 B L H X S+ 0 0 38 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.898 108.7 51.8 -61.5 -41.1 20.7 50.8 1.6 134 60 B E H >X S+ 0 0 116 -4,-2.7 3,-0.7 1,-0.2 4,-0.5 0.894 107.9 51.6 -63.4 -39.4 24.2 49.7 2.7 135 61 B L H >< S+ 0 0 116 -4,-2.0 3,-0.7 1,-0.2 4,-0.2 0.883 109.6 50.4 -62.3 -38.0 25.6 51.2 -0.5 136 62 B K H >X S+ 0 0 158 -4,-1.9 3,-0.6 1,-0.2 4,-0.5 0.624 94.9 77.0 -74.3 -13.7 23.8 54.4 0.3 137 63 B E H XX S+ 0 0 31 -4,-0.8 4,-2.7 -3,-0.7 3,-0.6 0.775 73.9 76.6 -65.1 -32.1 25.2 54.5 3.9 138 64 B D H S+ 0 0 83 -3,-0.6 4,-1.5 -4,-0.2 -1,-0.3 0.944 116.3 35.8 -56.9 -47.0 27.8 59.3 2.4 140 66 B F H X S+ 0 0 64 -4,-1.8 4,-3.3 2,-0.2 3,-0.8 0.835 104.8 54.0 -65.6 -67.3 29.7 61.3 10.7 145 71 B R H 3X S+ 0 0 134 -4,-1.9 4,-1.5 1,-0.2 5,-0.2 0.971 106.4 59.1 -40.3 -51.0 33.2 60.0 11.3 146 72 B E H 3X S+ 0 0 82 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.740 114.4 35.8 -47.3 -28.9 34.2 63.6 10.6 147 73 B I H - 0 0 32 1,-0.1 4,-3.1 -3,-0.0 5,-0.3 -0.973 59.4 -88.1-167.2 165.1 40.6 77.5 32.8 170 96 B P H > S+ 0 0 119 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.864 128.0 50.3 -52.5 -34.5 40.7 79.1 29.4 171 97 B E H > S+ 0 0 97 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.924 112.1 45.4 -70.1 -46.4 41.6 75.7 27.9 172 98 B V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.923 112.8 51.6 -60.3 -46.2 38.7 73.9 29.7 173 99 B E H X S+ 0 0 49 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.927 113.3 44.6 -55.7 -47.0 36.3 76.7 28.7 174 100 B A H X S+ 0 0 28 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.935 112.6 51.2 -66.7 -44.3 37.3 76.4 25.1 175 101 B A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.904 108.7 50.2 -60.5 -44.5 37.2 72.6 25.1 176 102 B T H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.886 108.1 53.2 -63.6 -40.8 33.7 72.4 26.6 177 103 B Q H X S+ 0 0 85 -4,-1.8 4,-2.2 -5,-0.2 5,-0.2 0.930 112.5 47.0 -52.4 -46.1 32.4 74.9 24.0 178 104 B E H X S+ 0 0 64 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.900 108.6 52.2 -67.4 -41.1 33.9 72.5 21.4 179 105 B V H X S+ 0 0 12 -4,-2.7 4,-1.6 -25,-0.2 -1,-0.2 0.918 113.2 47.3 -58.9 -40.5 32.4 69.3 22.9 180 106 B E H >X S+ 0 0 27 -4,-2.1 4,-2.2 2,-0.2 3,-0.8 0.983 110.2 46.8 -67.3 -64.0 29.0 71.0 22.9 181 107 B R H 3X S+ 0 0 109 -4,-2.2 4,-2.6 1,-0.3 -1,-0.2 0.851 113.1 52.9 -46.3 -39.5 28.9 72.3 19.3 182 108 B A H 3X S+ 0 0 1 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.3 0.869 107.1 49.7 -69.3 -36.2 30.2 69.0 18.1 183 109 B A H < S+ 0 0 48 -4,-1.1 3,-1.6 1,-0.2 -1,-0.2 0.908 100.8 56.0 -69.0 -42.3 12.4 58.2 5.6 199 125 B A H 3< S+ 0 0 74 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.783 103.5 55.5 -60.5 -30.1 12.0 59.5 2.0 200 126 B G T 3< S+ 0 0 72 -4,-1.0 -1,-0.3 -5,-0.1 2,-0.2 0.472 90.7 97.3 -83.2 -2.2 13.1 56.1 0.7 201 127 B L S < S- 0 0 16 -3,-1.6 5,-0.1 -4,-0.2 -78,-0.0 -0.609 83.6-106.8 -85.8 146.0 10.4 54.2 2.6 202 128 B K >> - 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