==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 04-SEP-01 1JWD . COMPND 2 MOLECULE: CALCYCLIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR L.MALER,M.SASTRY,W.J.CHAZIN . 180 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 89.4 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 . 10 5.6 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 15 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 2 0 0 0 0 0 2 1 1 2 0 0 0 0 1 0 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 . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 118 0, 0.0 4,-0.5 0, 0.0 132,-0.2 0.000 360.0 360.0 360.0 150.2 -13.0 -0.1 -6.5 2 2 A A >> + 0 0 18 1,-0.2 4,-2.7 2,-0.1 3,-1.3 0.913 360.0 73.7 -76.2 -45.9 -11.2 -2.6 -4.2 3 3 A S H 3> S+ 0 0 53 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.751 90.8 56.7 -45.8 -44.9 -8.4 -3.7 -6.6 4 4 A P H 3> S+ 0 0 48 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.908 117.2 35.4 -54.0 -45.5 -6.4 -0.4 -6.4 5 5 A L H <> S+ 0 0 5 -3,-1.3 4,-2.9 -4,-0.5 5,-0.3 0.948 114.7 57.2 -72.8 -47.3 -6.1 -0.7 -2.6 6 6 A D H X S+ 0 0 63 -4,-2.7 4,-3.0 1,-0.3 -3,-0.2 0.894 108.5 45.8 -51.7 -48.9 -5.9 -4.6 -2.7 7 7 A Q H X S+ 0 0 127 -4,-2.8 4,-2.2 2,-0.2 -1,-0.3 0.889 112.6 52.1 -63.0 -38.6 -2.8 -4.4 -4.9 8 8 A A H X S+ 0 0 4 -4,-1.2 4,-1.6 -5,-0.3 3,-0.2 0.966 114.2 40.0 -65.2 -52.5 -1.2 -1.7 -2.7 9 9 A I H X S+ 0 0 16 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.972 113.4 58.5 -57.6 -46.6 -1.7 -3.6 0.6 10 10 A G H X S+ 0 0 33 -4,-3.0 4,-3.2 -5,-0.3 -2,-0.2 0.844 101.6 55.6 -42.3 -45.5 -0.6 -6.7 -1.5 11 11 A L H X S+ 0 0 55 -4,-2.2 4,-3.1 -3,-0.2 5,-0.2 0.973 111.2 40.8 -56.4 -61.0 2.7 -4.8 -2.3 12 12 A L H X S+ 0 0 2 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.900 117.5 49.6 -52.3 -47.4 3.6 -4.3 1.4 13 13 A I H X S+ 0 0 6 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.930 113.5 45.1 -62.2 -47.8 2.4 -7.8 2.3 14 14 A G H X S+ 0 0 33 -4,-3.2 4,-3.1 -5,-0.2 5,-0.3 0.944 111.1 53.0 -59.9 -53.3 4.4 -9.3 -0.6 15 15 A I H X S+ 0 0 6 -4,-3.1 4,-1.1 -5,-0.2 -2,-0.2 0.910 114.9 43.3 -49.6 -48.2 7.5 -7.3 0.2 16 16 A F H >X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 3,-0.9 0.985 116.4 43.5 -60.9 -60.8 7.3 -8.5 3.8 17 17 A H H 3X S+ 0 0 20 -4,-3.0 4,-2.7 1,-0.3 -2,-0.2 0.798 105.3 63.0 -67.1 -28.0 6.6 -12.2 3.2 18 18 A K H 3< S+ 0 0 117 -4,-3.1 4,-0.3 -5,-0.2 -1,-0.3 0.914 115.1 34.7 -53.0 -46.4 9.2 -12.4 0.4 19 19 A Y H XX S+ 0 0 16 -4,-1.1 3,-1.8 -3,-0.9 4,-0.5 0.930 116.0 51.0 -80.9 -48.2 11.7 -11.7 3.1 20 20 A S H >X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.3 3,-2.2 0.940 99.6 69.7 -55.5 -41.7 10.2 -13.5 6.1 21 21 A G H 3< S+ 0 0 40 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.742 85.8 68.5 -38.1 -36.3 10.0 -16.5 3.7 22 22 A K H <4 S+ 0 0 128 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.882 114.1 26.6 -55.8 -44.5 13.8 -16.6 4.0 23 23 A E H << S- 0 0 60 -3,-2.2 -2,-0.2 -4,-0.5 2,-0.2 0.782 139.2 -69.4 -86.9 -34.6 13.5 -17.7 7.6 24 24 A G < - 0 0 20 -4,-2.8 2,-2.6 -5,-0.2 -1,-0.4 -0.834 62.4 -58.2 162.4 172.3 10.0 -19.2 7.0 25 25 A D S S+ 0 0 86 -2,-0.2 2,-0.3 -4,-0.2 -4,-0.1 -0.448 84.8 141.1 -71.4 73.6 6.4 -18.4 6.2 26 26 A K - 0 0 99 -2,-2.6 -2,-0.1 2,-0.3 -5,-0.1 -0.879 64.3-133.0-117.8 151.0 6.1 -16.3 9.3 27 27 A H S S+ 0 0 34 -2,-0.3 43,-2.9 -7,-0.1 2,-0.3 -0.145 92.2 79.2 -90.8 38.2 4.4 -12.9 10.0 28 28 A T E -A 69 0A 28 41,-0.3 2,-0.3 -4,-0.2 -2,-0.3 -0.953 62.7-166.1-148.3 145.6 7.7 -12.0 11.7 29 29 A L E -A 68 0A 1 39,-2.9 39,-3.1 -2,-0.3 -9,-0.1 -0.991 23.7-115.2-148.7 127.4 10.9 -10.8 10.0 30 30 A S E > -A 67 0A 39 -2,-0.3 4,-2.8 37,-0.2 37,-0.2 -0.238 26.2-115.1 -75.8 158.3 14.4 -10.5 11.5 31 31 A K H > S+ 0 0 70 35,-1.3 4,-2.5 2,-0.2 5,-0.1 0.931 114.7 40.4 -63.2 -50.5 16.2 -7.2 11.9 32 32 A K H > S+ 0 0 142 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.889 115.0 55.3 -64.1 -34.5 19.2 -7.7 9.5 33 33 A E H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.907 105.9 51.5 -63.3 -40.3 16.7 -9.4 7.1 34 34 A L H X S+ 0 0 2 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.942 108.6 50.5 -57.7 -49.0 14.6 -6.2 7.3 35 35 A K H X S+ 0 0 31 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.942 109.0 51.5 -55.8 -43.0 17.7 -4.3 6.4 36 36 A E H X S+ 0 0 80 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.841 110.0 50.4 -60.8 -36.8 18.2 -6.7 3.5 37 37 A L H X>S+ 0 0 3 -4,-2.1 4,-3.0 2,-0.2 5,-0.5 0.972 113.0 45.6 -58.7 -57.0 14.5 -5.9 2.5 38 38 A I H X5S+ 0 0 7 -4,-3.0 4,-1.8 1,-0.2 6,-0.2 0.939 108.4 54.8 -57.2 -53.5 15.2 -2.2 2.7 39 39 A Q H <5S+ 0 0 36 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.837 120.6 31.5 -52.6 -39.5 18.5 -2.3 0.7 40 40 A K H <5S+ 0 0 112 -4,-1.3 3,-0.4 -3,-0.3 -2,-0.2 0.952 130.5 31.6 -80.7 -56.5 16.8 -4.1 -2.2 41 41 A E H <5S+ 0 0 21 -4,-3.0 2,-1.2 1,-0.3 55,-0.3 0.917 124.1 43.5 -74.0 -48.5 13.2 -2.8 -2.1 42 42 A L S < + 0 0 73 1,-0.2 3,-2.7 -3,-0.1 -1,-0.2 -0.341 62.5 169.7 -71.1 63.4 22.6 7.4 -1.0 47 47 A K G > + 0 0 99 -2,-2.6 3,-2.4 1,-0.3 -1,-0.2 0.657 62.4 86.8 -57.0 -15.2 23.9 4.4 1.1 48 48 A L G > S+ 0 0 174 1,-0.3 3,-0.8 -3,-0.1 -1,-0.3 0.827 75.6 71.1 -49.1 -31.1 25.7 7.0 3.3 49 49 A Q G X> + 0 0 72 -3,-2.7 4,-2.4 1,-0.2 3,-0.9 0.399 63.0 113.2 -68.0 4.1 22.3 7.0 5.0 50 50 A D H <> S+ 0 0 71 -3,-2.4 4,-2.8 1,-0.3 -1,-0.2 0.866 72.7 55.9 -44.2 -46.0 23.1 3.5 6.4 51 51 A A H <> S+ 0 0 67 -3,-0.8 4,-2.3 2,-0.2 -1,-0.3 0.910 108.4 47.0 -52.6 -46.3 23.3 4.9 9.9 52 52 A E H <> S+ 0 0 114 -3,-0.9 4,-3.1 1,-0.2 -2,-0.2 0.917 109.7 54.6 -64.2 -43.4 19.7 6.2 9.4 53 53 A I H X S+ 0 0 16 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.918 109.2 46.6 -57.4 -46.0 18.7 2.8 8.0 54 54 A V H X S+ 0 0 55 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.874 111.8 50.5 -70.5 -32.3 20.0 1.0 11.2 55 55 A K H X S+ 0 0 121 -4,-2.3 4,-3.0 -5,-0.2 -2,-0.2 0.961 113.5 46.3 -61.0 -48.0 18.3 3.5 13.4 56 56 A L H X S+ 0 0 30 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.916 111.4 51.9 -56.8 -44.1 15.1 2.8 11.4 57 57 A M H X S+ 0 0 32 -4,-2.9 4,-3.2 2,-0.2 5,-0.3 0.948 109.6 49.7 -57.4 -51.7 15.9 -0.9 11.7 58 58 A D H X S+ 0 0 63 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.945 110.3 50.4 -50.3 -53.4 16.1 -0.5 15.5 59 59 A D H < S+ 0 0 53 -4,-3.0 4,-0.4 1,-0.2 -2,-0.2 0.868 114.5 44.4 -56.9 -40.9 12.8 1.4 15.5 60 60 A L H >< S+ 0 0 8 -4,-2.5 3,-1.1 -5,-0.2 9,-0.3 0.975 120.2 38.5 -63.5 -58.7 11.2 -1.5 13.5 61 61 A D H >X S+ 0 0 7 -4,-3.2 3,-3.0 1,-0.2 4,-1.2 0.794 93.7 86.3 -67.9 -27.4 12.7 -4.3 15.5 62 62 A R T 3< + 0 0 134 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.1 0.715 66.2 84.3 -49.7 -26.8 12.3 -2.5 18.9 63 63 A N T <4 S- 0 0 49 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.1 0.827 129.5 -11.4 -43.3 -37.4 8.7 -3.9 19.0 64 64 A K T <4 S- 0 0 112 -3,-3.0 2,-2.6 3,-0.4 -2,-0.3 0.140 92.6-125.6-148.4 22.1 10.6 -6.9 20.5 65 65 A D S < S+ 0 0 91 -4,-1.2 -3,-0.2 1,-0.2 -4,-0.1 -0.160 100.0 61.2 63.4 -43.2 14.3 -6.0 19.8 66 66 A Q S S+ 0 0 119 -2,-2.6 -35,-1.3 1,-0.2 2,-0.3 0.939 112.7 5.3 -74.2 -52.4 15.1 -9.3 18.0 67 67 A E E -A 30 0A 50 -6,-0.4 -3,-0.4 -37,-0.2 2,-0.3 -0.927 66.7-112.7-138.1 156.6 12.6 -9.1 15.0 68 68 A V E -A 29 0A 0 -39,-3.1 -39,-2.9 -2,-0.3 2,-0.4 -0.671 32.1-144.0 -81.0 142.8 10.0 -7.0 13.2 69 69 A N E >> -A 28 0A 28 -9,-0.3 4,-2.7 -2,-0.3 3,-0.6 -0.925 20.1-116.5-113.5 142.6 6.4 -8.3 13.4 70 70 A F H 3> S+ 0 0 5 -43,-2.9 4,-2.6 -2,-0.4 5,-0.2 0.848 113.3 45.7 -45.1 -55.8 4.0 -7.9 10.5 71 71 A Q H 3> S+ 0 0 51 -44,-0.3 4,-2.9 1,-0.2 -1,-0.3 0.900 115.4 48.6 -54.7 -43.2 1.5 -5.6 12.2 72 72 A E H <> S+ 0 0 80 -3,-0.6 4,-2.9 2,-0.2 -2,-0.2 0.870 107.7 55.1 -69.5 -38.4 4.3 -3.5 13.6 73 73 A Y H X S+ 0 0 4 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.954 111.3 44.6 -54.0 -52.6 5.9 -3.3 10.2 74 74 A I H X S+ 0 0 5 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.967 114.5 48.1 -59.1 -53.7 2.6 -1.9 8.8 75 75 A T H X S+ 0 0 29 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.887 112.7 49.5 -51.6 -44.1 2.2 0.5 11.7 76 76 A F H X S+ 0 0 32 -4,-2.9 4,-3.0 2,-0.3 -1,-0.2 0.925 106.8 53.3 -65.1 -45.2 5.9 1.6 11.2 77 77 A L H X S+ 0 0 10 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.887 105.8 56.6 -56.5 -34.5 5.3 2.1 7.5 78 78 A G H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.3 0.948 108.0 45.6 -56.1 -49.9 2.4 4.3 8.8 79 79 A A H X S+ 0 0 24 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.926 112.1 51.5 -57.5 -46.0 5.0 6.3 10.7 80 80 A L H X S+ 0 0 15 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.929 111.1 47.9 -57.9 -46.5 7.2 6.4 7.7 81 81 A A H < S+ 0 0 1 -4,-3.0 7,-0.3 2,-0.2 -2,-0.2 0.931 110.4 51.5 -59.0 -48.1 4.3 7.7 5.6 82 82 A M H >< S+ 0 0 113 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.926 108.4 51.2 -55.5 -46.2 3.5 10.3 8.3 83 83 A I H 3< S+ 0 0 106 -4,-3.0 2,-1.4 1,-0.3 3,-0.3 0.947 102.0 61.4 -56.6 -44.9 7.2 11.4 8.1 84 84 A Y T >X S+ 0 0 93 -4,-2.7 3,-2.4 1,-0.2 4,-0.6 -0.039 71.8 155.9 -70.8 38.5 6.6 11.6 4.3 85 85 A N H X> + 0 0 83 -2,-1.4 4,-2.7 -3,-1.1 3,-0.7 0.727 59.3 71.9 -34.9 -41.7 4.0 14.3 5.3 86 86 A E H 3> S+ 0 0 157 -3,-0.3 4,-2.8 1,-0.3 -1,-0.3 0.900 95.9 51.6 -44.3 -48.9 4.4 15.8 1.8 87 87 A A H <4 S+ 0 0 32 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.849 110.7 47.8 -57.5 -39.4 2.5 12.8 0.4 88 88 A L H << S+ 0 0 6 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.870 110.9 50.3 -74.1 -39.2 -0.3 13.3 2.9 89 89 A K H < 0 0 142 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.910 360.0 360.0 -61.4 -43.9 -0.5 17.0 2.1 90 90 A G < 0 0 107 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.854 360.0 360.0-161.0 360.0 -0.7 16.1 -1.6 91 !* 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 92 1 B M 0 0 149 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.6 14.5 5.5 -4.2 93 2 B A >> + 0 0 6 -51,-0.2 4,-2.9 -50,-0.1 3,-1.4 0.039 360.0 154.9-159.2 31.1 11.7 3.1 -3.2 94 3 B S H 3> + 0 0 57 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.750 69.3 52.6 -40.7 -52.0 9.3 3.5 -6.1 95 4 B P H 3> S+ 0 0 57 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.865 120.9 33.7 -56.8 -40.7 7.5 0.1 -5.8 96 5 B L H <> S+ 0 0 4 -3,-1.4 4,-2.8 -55,-0.3 5,-0.4 0.912 113.5 60.6 -79.7 -44.1 6.7 0.7 -2.2 97 6 B D H X S+ 0 0 57 -4,-2.9 4,-3.0 1,-0.3 -3,-0.2 0.892 104.7 49.0 -49.5 -49.1 6.2 4.5 -2.6 98 7 B Q H X S+ 0 0 136 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.3 0.897 113.2 48.1 -59.9 -39.5 3.4 3.9 -5.0 99 8 B A H X S+ 0 0 4 -4,-0.8 4,-1.8 -3,-0.3 3,-0.3 0.970 115.9 40.0 -68.7 -54.1 1.7 1.4 -2.6 100 9 B I H X S+ 0 0 8 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.950 114.3 57.9 -58.1 -42.7 1.9 3.6 0.5 101 10 B G H X S+ 0 0 31 -4,-3.0 4,-3.1 -5,-0.4 -2,-0.2 0.858 103.0 53.9 -46.9 -45.1 1.0 6.4 -1.9 102 11 B L H X S+ 0 0 52 -4,-2.0 4,-3.1 -3,-0.3 5,-0.3 0.979 110.8 42.8 -58.0 -60.7 -2.2 4.5 -2.7 103 12 B L H X S+ 0 0 3 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.902 117.6 48.3 -51.0 -47.2 -3.3 4.1 0.9 104 13 B I H X S+ 0 0 3 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.920 112.9 47.4 -60.4 -47.9 -2.3 7.8 1.6 105 14 B G H X S+ 0 0 35 -4,-3.1 4,-3.1 2,-0.2 5,-0.3 0.951 112.4 48.2 -60.2 -54.3 -4.2 9.0 -1.6 106 15 B I H X S+ 0 0 8 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.931 115.5 47.4 -50.6 -49.8 -7.3 7.0 -0.8 107 16 B F H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.3 -2,-0.2 0.967 115.8 40.3 -57.7 -59.0 -7.2 8.4 2.8 108 17 B H H X S+ 0 0 29 -4,-3.1 4,-2.8 1,-0.3 -2,-0.2 0.844 109.4 60.1 -69.6 -31.9 -6.6 12.1 1.9 109 18 B K H X S+ 0 0 125 -4,-3.1 4,-0.7 -5,-0.3 -1,-0.3 0.947 112.7 41.4 -51.5 -50.2 -9.1 11.9 -1.0 110 19 B Y H >< S+ 0 0 10 -4,-2.0 3,-1.9 -5,-0.3 4,-0.4 0.957 108.2 56.6 -65.6 -51.6 -11.6 10.9 1.7 111 20 B S H ><>S+ 0 0 3 -4,-2.9 5,-2.6 1,-0.3 3,-2.1 0.889 97.8 67.8 -45.8 -43.6 -10.3 13.5 4.3 112 21 B G H ><5S+ 0 0 52 -4,-2.8 3,-2.2 3,-0.3 -1,-0.3 0.825 80.2 77.2 -34.1 -50.4 -11.1 16.0 1.5 113 22 B K T <<5S+ 0 0 120 -3,-1.9 -1,-0.3 -4,-0.7 -2,-0.2 0.731 123.6 3.7 -39.2 -39.5 -14.8 15.2 2.0 114 23 B E T < 5S- 0 0 111 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 -0.133 107.3-104.1-141.3 39.7 -14.8 17.4 5.1 115 24 B G T < 5 + 0 0 47 -3,-2.2 2,-2.1 1,-0.2 -3,-0.3 0.791 54.2 176.4 40.4 43.7 -11.1 18.7 5.0 116 25 B D > < - 0 0 17 -5,-2.6 3,-2.9 -6,-0.2 -1,-0.2 -0.164 25.6-141.8 -80.3 47.6 -10.3 16.2 7.8 117 26 B K T 3 S- 0 0 161 -2,-2.1 -1,-0.2 1,-0.3 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5,-0.2 0.929 109.1 52.0 -56.5 -45.1 -18.1 6.3 2.9 128 37 B L H X S+ 0 0 5 -4,-2.7 4,-3.1 2,-0.2 5,-0.4 0.951 113.3 43.7 -49.3 -55.9 -14.4 5.5 2.1 129 38 B I H X S+ 0 0 15 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.950 112.6 50.6 -62.2 -50.7 -15.2 1.7 2.5 130 39 B Q H < S+ 0 0 29 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.882 117.5 41.8 -53.6 -42.1 -18.5 1.9 0.5 131 40 B K H < S+ 0 0 97 -4,-2.6 3,-0.3 -5,-0.2 -2,-0.2 0.947 127.2 28.3 -71.4 -53.7 -16.7 3.7 -2.3 132 41 B E H < S+ 0 0 10 -4,-3.1 2,-2.0 1,-0.3 -3,-0.2 0.986 123.4 47.1 -73.5 -62.9 -13.4 1.8 -2.5 133 42 B L S < S- 0 0 37 -4,-1.3 2,-2.1 -5,-0.4 -1,-0.3 -0.536 80.4-163.3 -82.0 77.6 -14.6 -1.6 -1.2 134 43 B T + 0 0 67 -2,-2.0 3,-0.1 -3,-0.3 -4,-0.1 -0.426 13.2 177.4 -64.6 79.0 -17.7 -1.8 -3.4 135 44 B I - 0 0 48 -2,-2.1 2,-2.5 1,-0.2 -1,-0.2 0.840 8.4-172.1 -54.6 -44.1 -19.4 -4.6 -1.4 136 45 B G S S+ 0 0 58 -6,-0.2 2,-2.5 -3,-0.1 -1,-0.2 -0.419 72.5 79.9 74.6 -62.1 -22.6 -4.6 -3.5 137 46 B S > + 0 0 76 -2,-2.5 3,-2.6 1,-0.2 -1,-0.1 -0.409 63.7 178.6 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-0.2 -14.9 9.0 17.0 158 67 B E E < S-BC 121 155B 43 -3,-2.1 2,-0.6 -6,-0.7 -3,-0.5 -0.978 72.0-124.2-145.1 153.2 -12.3 9.2 14.2 159 68 B V E -B 120 0B 0 -39,-3.2 -39,-2.1 -2,-0.3 2,-0.2 -0.896 26.2-145.9 -95.0 117.3 -9.5 7.2 12.5 160 69 B N E >> -B 119 0B 57 -2,-0.6 4,-2.7 -9,-0.2 3,-0.7 -0.616 28.3-107.4 -78.8 148.6 -6.1 8.9 12.6 161 70 B F H 3> S+ 0 0 3 -43,-2.5 4,-2.8 1,-0.3 5,-0.2 0.855 119.6 46.2 -39.7 -54.2 -3.9 8.2 9.5 162 71 B Q H 3> S+ 0 0 55 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.869 112.8 50.6 -66.1 -32.8 -1.5 5.9 11.4 163 72 B E H <> S+ 0 0 54 -3,-0.7 4,-3.1 2,-0.2 -2,-0.2 0.903 109.5 51.5 -69.4 -40.2 -4.4 4.0 13.0 164 73 B Y H X S+ 0 0 4 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.961 113.0 44.8 -55.2 -54.0 -5.9 3.6 9.5 165 74 B I H X S+ 0 0 7 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.962 114.4 49.0 -55.8 -54.3 -2.6 2.2 8.3 166 75 B T H X S+ 0 0 27 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.921 112.5 48.1 -49.1 -51.8 -2.2 -0.1 11.4 167 76 B F H X S+ 0 0 26 -4,-3.1 4,-3.1 2,-0.3 -1,-0.2 0.891 106.5 55.3 -62.7 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2.7 178 87 B A H <4 S+ 0 0 42 -3,-2.2 -1,-0.2 -6,-0.2 -2,-0.2 0.878 109.5 47.9 -62.6 -39.9 -2.6 -12.8 1.3 179 88 B L H < S+ 0 0 2 -4,-0.9 -2,-0.2 -7,-0.4 -1,-0.2 0.960 117.4 39.6 -64.9 -52.9 0.2 -13.1 4.0 180 89 B K H < 0 0 110 -4,-2.7 -2,-0.2 -155,-0.1 -3,-0.2 0.868 360.0 360.0 -68.3 -37.2 0.9 -16.7 3.3 181 90 B G < 0 0 112 -4,-2.9 -164,-0.0 -5,-0.3 -4,-0.0 -0.484 360.0 360.0 170.0 360.0 0.5 -16.4 -0.5