==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 01-JUL-10 3NSK . COMPND 2 MOLECULE: PROTEIN S100-A3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.UNNO,H.TAKAHARA,K.KIZAWA . 183 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9368.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 70.5 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 . 4 2.2 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 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 53.6 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+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 0 0 0 2 0 2 0 2 0 2 0 0 0 0 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 . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 3 A R > 0 0 128 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 137.9 -4.5 21.1 22.0 2 4 A P H > + 0 0 85 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.866 360.0 48.9 -59.2 -39.4 -3.7 21.2 18.3 3 5 A L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.882 108.8 53.4 -68.0 -38.9 0.1 20.5 18.7 4 6 A E H > S+ 0 0 26 127,-0.5 4,-2.4 -3,-0.3 -1,-0.2 0.933 111.4 45.9 -59.3 -46.8 -0.6 17.5 21.0 5 7 A Q H X S+ 0 0 142 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.908 113.6 50.5 -60.8 -42.5 -2.9 15.9 18.5 6 8 A A H X S+ 0 0 4 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.905 111.3 45.5 -65.1 -45.3 -0.3 16.7 15.7 7 9 A V H X S+ 0 0 2 -4,-2.7 4,-2.0 1,-0.2 5,-0.2 0.932 111.1 53.5 -72.7 -32.8 2.7 15.2 17.5 8 10 A A H X S+ 0 0 42 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.904 109.0 51.0 -57.9 -41.5 0.6 12.1 18.5 9 11 A A H X S+ 0 0 23 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.887 104.8 55.2 -68.9 -34.9 -0.2 11.7 14.8 10 12 A I H X S+ 0 0 5 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.910 110.6 46.0 -67.0 -34.2 3.4 11.9 13.7 11 13 A V H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.931 109.0 56.0 -71.4 -42.7 4.2 9.0 16.1 12 14 A C H X S+ 0 0 79 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.901 108.0 47.7 -50.9 -50.2 1.2 7.1 14.8 13 15 A T H X S+ 0 0 6 -4,-2.3 4,-1.7 2,-0.2 5,-0.2 0.935 110.9 51.1 -65.3 -40.2 2.4 7.3 11.2 14 16 A F H X S+ 0 0 0 -4,-1.9 4,-3.3 1,-0.2 5,-0.4 0.932 110.0 50.4 -58.1 -48.6 6.0 6.2 12.3 15 17 A Q H X S+ 0 0 93 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.847 105.3 57.4 -55.9 -43.9 4.5 3.2 14.1 16 18 A E H < S+ 0 0 108 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.924 119.0 29.8 -56.1 -41.8 2.4 2.3 11.0 17 19 A Y H >< S+ 0 0 4 -4,-1.7 3,-1.3 -3,-0.2 4,-0.3 0.934 122.8 45.7 -89.0 -44.6 5.6 2.0 8.9 18 20 A A H >< S+ 0 0 1 -4,-3.3 3,-0.6 1,-0.3 8,-0.2 0.835 108.3 59.9 -71.5 -24.9 8.2 1.0 11.4 19 21 A G T 3< S+ 0 0 44 -4,-1.9 -1,-0.3 -5,-0.4 -2,-0.2 0.488 78.2 91.7 -80.4 -5.7 5.9 -1.6 12.9 20 22 A R T < S- 0 0 115 -3,-1.3 2,-0.3 1,-0.2 -1,-0.2 0.926 103.9 -31.7 -53.7 -54.3 5.6 -3.5 9.6 21 23 A C S < S+ 0 0 91 -3,-0.6 -1,-0.2 -4,-0.3 0, 0.0 -0.978 105.0 9.9-163.3 160.0 8.5 -5.9 10.4 22 24 A G S S+ 0 0 77 -2,-0.3 2,-0.4 -3,-0.1 -4,-0.0 -0.265 110.0 19.4 65.6-141.6 11.8 -6.1 12.1 23 25 A D > - 0 0 85 1,-0.2 3,-1.7 2,-0.1 -2,-0.2 -0.447 62.5-155.2 -73.9 115.8 13.0 -3.3 14.4 24 26 A K T 3 S+ 0 0 94 -2,-0.4 -1,-0.2 1,-0.3 -6,-0.1 0.572 92.1 55.4 -73.8 -1.3 10.0 -1.3 15.5 25 27 A Y T 3 S+ 0 0 20 -7,-0.1 45,-0.4 -6,-0.0 2,-0.3 0.340 102.9 65.4-106.6 3.4 12.3 1.8 16.1 26 28 A K < - 0 0 50 -3,-1.7 2,-0.3 -8,-0.2 43,-0.2 -0.946 54.9-164.5-131.4 146.0 13.8 1.9 12.6 27 29 A L B -A 68 0A 1 41,-2.7 41,-1.7 -2,-0.3 2,-0.2 -0.942 22.8-126.2-113.2 155.0 12.9 2.6 9.0 28 30 A a > - 0 0 38 -2,-0.3 4,-2.3 39,-0.2 3,-0.3 -0.630 31.4-114.8 -80.8 155.7 14.7 1.9 5.8 29 31 A Q H > S+ 0 0 28 36,-1.9 4,-2.9 1,-0.2 5,-0.2 0.877 119.1 59.0 -64.0 -26.6 15.1 4.9 3.6 30 32 A A H > S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 106.9 45.9 -64.8 -41.4 12.9 3.1 1.1 31 33 A E H > S+ 0 0 39 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.880 111.6 51.7 -68.7 -39.6 10.1 3.0 3.7 32 34 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.923 109.6 50.2 -62.3 -43.1 10.7 6.6 4.6 33 35 A K H X S+ 0 0 70 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.946 111.9 47.3 -57.5 -48.3 10.4 7.5 0.9 34 36 A E H X S+ 0 0 46 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.930 111.5 52.0 -60.2 -44.9 7.2 5.5 0.6 35 37 A L H X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.2 5,-0.4 0.935 112.3 43.7 -55.7 -52.7 5.9 7.2 3.8 36 38 A L H X S+ 0 0 3 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.877 115.2 48.9 -66.1 -36.9 6.6 10.7 2.6 37 39 A Q H < S+ 0 0 103 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.866 122.0 33.2 -73.4 -33.6 5.2 10.0 -0.9 38 40 A K H >< S+ 0 0 114 -4,-2.5 3,-0.7 -5,-0.2 -2,-0.2 0.867 123.7 40.8 -86.5 -44.1 2.0 8.5 0.4 39 41 A E H 3< S+ 0 0 29 -4,-3.3 57,-0.5 -5,-0.3 -3,-0.2 0.715 127.7 31.2 -87.2 -21.4 1.3 10.4 3.5 40 42 A L T >< S+ 0 0 5 -4,-1.4 3,-1.8 -5,-0.4 -1,-0.2 -0.237 78.0 143.1-120.9 40.9 2.3 13.9 2.2 41 43 A A T < + 0 0 50 -3,-0.7 -1,-0.1 1,-0.3 -2,-0.1 0.746 67.9 50.4 -57.2 -34.9 1.2 13.2 -1.4 42 44 A T T 3 S+ 0 0 79 -3,-0.1 2,-0.4 -4,-0.1 -1,-0.3 0.530 84.8 107.1 -86.1 -4.8 -0.2 16.7 -2.0 43 45 A W < + 0 0 37 -3,-1.8 42,-0.1 -6,-0.1 -3,-0.1 -0.612 43.9 171.5 -83.5 127.5 2.9 18.6 -0.8 44 46 A T - 0 0 94 -2,-0.4 -2,-0.0 40,-0.4 6,-0.0 -0.942 36.0 -86.9-136.6 155.1 5.1 20.1 -3.5 45 47 A P - 0 0 27 0, 0.0 39,-0.3 0, 0.0 5,-0.1 -0.226 38.7-118.7 -68.7 145.6 8.1 22.5 -3.5 46 48 A T >> - 0 0 13 37,-3.2 3,-1.6 36,-0.1 4,-0.5 -0.151 45.0 -83.2 -76.8 173.8 7.8 26.3 -3.4 47 49 A E T 34 S+ 0 0 98 1,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.756 126.7 32.0 -62.0 -27.4 9.2 28.4 -6.1 48 50 A F T 34 S+ 0 0 177 1,-0.1 -1,-0.3 41,-0.1 3,-0.2 0.429 109.1 68.0-104.6 -2.9 12.8 28.6 -4.9 49 51 A A T <> + 0 0 9 -3,-1.6 4,-2.9 34,-0.2 5,-0.2 0.435 64.0 102.8-101.6 -5.4 13.0 25.2 -3.3 50 52 A E H X S+ 0 0 103 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.838 82.7 45.7 -56.5 -42.5 12.8 22.8 -6.3 51 53 A C H > S+ 0 0 96 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.875 114.8 46.3 -75.1 -35.9 16.4 21.9 -6.5 52 54 A D H > S+ 0 0 78 -3,-0.2 4,-2.3 -4,-0.2 -2,-0.2 0.913 113.9 50.3 -70.0 -38.1 16.9 21.3 -2.8 53 55 A Y H X S+ 0 0 42 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.934 110.6 48.8 -64.2 -44.8 13.7 19.2 -2.7 54 56 A N H X S+ 0 0 93 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.903 111.5 49.1 -64.4 -41.6 14.8 17.2 -5.7 55 57 A K H X S+ 0 0 123 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.902 111.4 51.2 -61.2 -43.3 18.2 16.5 -4.1 56 58 A F H X S+ 0 0 29 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.930 112.6 43.9 -59.9 -46.4 16.5 15.5 -0.9 57 59 A M H X S+ 0 0 29 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.804 111.0 54.1 -73.7 -32.5 14.1 13.0 -2.6 58 60 A S H X S+ 0 0 57 -4,-2.0 4,-2.4 -5,-0.2 3,-0.2 0.890 102.8 57.3 -68.1 -37.5 16.9 11.5 -4.8 59 61 A V H X S+ 0 0 76 -4,-1.9 4,-2.6 1,-0.3 -2,-0.2 0.898 106.5 49.8 -60.5 -38.9 19.0 10.8 -1.7 60 62 A L H < S+ 0 0 6 -4,-1.3 -1,-0.3 1,-0.2 -27,-0.2 0.805 111.4 49.0 -65.7 -37.4 16.2 8.7 -0.3 61 63 A D H < S+ 0 0 59 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.848 118.8 37.6 -73.1 -36.9 15.8 6.8 -3.5 62 64 A T H < S+ 0 0 118 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.957 102.2 76.6 -79.6 -53.6 19.5 6.0 -3.9 63 65 A N < - 0 0 37 -4,-2.6 -33,-0.0 -5,-0.2 0, 0.0 -0.334 51.3-179.1 -64.9 128.5 20.4 5.4 -0.2 64 66 A K + 0 0 87 -35,-0.1 2,-0.3 -36,-0.1 -1,-0.1 -0.265 32.7 134.4-122.7 39.7 19.4 2.0 1.1 65 67 A D - 0 0 61 1,-0.1 -36,-1.9 -37,-0.0 -35,-0.2 -0.661 44.2-153.4 -76.4 146.3 20.6 2.3 4.6 66 68 A a + 0 0 58 -2,-0.3 -38,-0.1 -38,-0.2 -1,-0.1 -0.255 65.8 101.1-120.2 44.2 18.1 1.2 7.2 67 69 A E + 0 0 135 -41,-0.1 2,-0.8 2,-0.1 -39,-0.2 0.060 40.0 137.4-114.3 20.0 19.1 3.3 10.2 68 70 A V B -A 27 0A 7 -41,-1.7 -41,-2.7 -3,-0.2 2,-0.1 -0.599 34.5-172.5 -69.7 105.7 16.4 5.9 9.9 69 71 A D > - 0 0 68 -2,-0.8 4,-2.4 -43,-0.2 5,-0.2 -0.317 40.8 -89.6 -94.0 177.6 15.3 6.4 13.5 70 72 A F H > S+ 0 0 5 -45,-0.4 4,-2.7 2,-0.2 5,-0.2 0.917 126.3 52.8 -55.6 -42.4 12.4 8.5 14.7 71 73 A V H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.908 110.8 46.9 -64.0 -36.4 14.5 11.7 15.1 72 74 A E H > S+ 0 0 68 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.876 110.2 53.7 -71.6 -38.3 15.7 11.3 11.5 73 75 A Y H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.950 110.8 45.8 -60.1 -42.7 12.1 10.7 10.3 74 76 A V H X S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.900 108.7 56.0 -72.4 -33.9 10.9 13.9 12.0 75 77 A R H X S+ 0 0 127 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.898 104.6 54.2 -59.3 -40.1 13.9 15.8 10.6 76 78 A S H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.908 106.6 50.8 -64.1 -37.4 12.7 14.7 7.1 77 79 A L H X S+ 0 0 4 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.901 109.6 51.1 -62.2 -44.1 9.3 16.1 7.9 78 80 A A H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.926 108.7 50.8 -61.0 -42.4 10.9 19.4 8.9 79 81 A C H X S+ 0 0 10 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.924 106.6 54.6 -63.8 -39.0 12.9 19.5 5.7 80 82 A L H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.858 106.4 52.8 -63.4 -33.9 9.7 18.9 3.6 81 83 A C H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 7,-0.3 0.914 106.9 51.4 -61.0 -49.6 8.2 22.0 5.4 82 84 A L H < S+ 0 0 52 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.849 119.2 38.0 -58.5 -32.4 11.2 24.1 4.4 83 85 A Y H < S+ 0 0 42 -4,-1.8 -37,-3.2 -5,-0.2 -34,-0.2 0.769 129.8 24.6 -82.8 -36.0 10.7 23.0 0.8 84 86 A C H < S+ 0 0 18 -4,-2.1 2,-0.5 -39,-0.3 -40,-0.4 0.483 96.3 87.8-117.2 -19.0 7.0 22.9 0.5 85 87 A H >< - 0 0 48 -4,-2.3 3,-1.8 -5,-0.2 4,-0.1 -0.871 67.4-139.1 -95.7 131.0 5.3 25.2 3.0 86 88 A E G > S+ 0 0 140 -2,-0.5 3,-1.6 1,-0.3 4,-0.3 0.717 95.7 73.5 -60.7 -25.2 4.9 28.8 1.9 87 89 A Y G 3 S+ 0 0 28 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.861 102.5 42.0 -56.1 -32.7 5.9 30.1 5.3 88 90 A F G X S+ 0 0 6 -3,-1.8 3,-1.4 -7,-0.3 -1,-0.3 0.249 78.3 112.9-102.2 10.3 9.5 29.2 4.5 89 91 A K T < S+ 0 0 24 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.899 89.6 32.0 -51.0 -41.1 9.5 30.5 0.9 90 92 A D T 3 0 0 140 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.317 360.0 360.0-106.5 9.2 12.0 33.2 1.8 91 93 A C < 0 0 96 -3,-1.4 -3,-0.1 -9,-0.1 -4,-0.0 -0.417 360.0 360.0 -69.0 360.0 13.9 31.5 4.6 92 !* 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 93 3 B R > 0 0 127 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 140.6 -4.5 12.8 5.3 94 4 B P H > + 0 0 84 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.855 360.0 49.1 -59.3 -40.3 -3.6 12.8 9.0 95 5 B L H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.886 108.8 53.6 -68.5 -35.7 0.1 13.4 8.6 96 6 B E H > S+ 0 0 25 -57,-0.5 4,-2.4 -3,-0.3 -1,-0.2 0.942 111.3 45.6 -61.9 -46.3 -0.6 16.4 6.3 97 7 B Q H X S+ 0 0 145 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.904 113.8 50.7 -61.2 -41.7 -2.9 18.0 8.9 98 8 B A H X S+ 0 0 4 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.911 111.2 45.2 -66.1 -45.5 -0.3 17.2 11.6 99 9 B V H X S+ 0 0 2 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.928 111.3 53.6 -72.5 -32.7 2.7 18.7 9.9 100 10 B A H X S+ 0 0 42 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.905 108.9 51.0 -58.5 -41.1 0.6 21.8 8.9 101 11 B A H X S+ 0 0 23 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.881 105.0 55.0 -67.9 -36.2 -0.2 22.2 12.6 102 12 B I H X S+ 0 0 5 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.911 110.7 46.1 -67.3 -33.9 3.4 22.0 13.6 103 13 B V H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.914 109.0 55.9 -70.4 -43.9 4.2 24.8 11.3 104 14 B C H X S+ 0 0 79 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.906 108.1 47.6 -50.7 -50.1 1.2 26.8 12.5 105 15 B T H X S+ 0 0 6 -4,-2.3 4,-1.8 2,-0.2 5,-0.2 0.940 111.0 50.9 -64.9 -39.7 2.4 26.6 16.1 106 16 B F H X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 5,-0.4 0.933 109.9 50.9 -59.2 -47.4 5.9 27.7 15.1 107 17 B Q H X S+ 0 0 90 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.852 105.5 56.6 -55.3 -43.6 4.5 30.6 13.2 108 18 B E H < S+ 0 0 111 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.920 118.9 30.4 -58.7 -41.1 2.4 31.7 16.3 109 19 B Y H >< S+ 0 0 4 -4,-1.8 3,-1.4 2,-0.2 4,-0.3 0.938 122.7 45.2 -88.1 -46.2 5.5 31.9 18.5 110 20 B A H >< S+ 0 0 1 -4,-3.2 3,-0.6 1,-0.3 8,-0.2 0.811 108.3 60.0 -69.2 -26.3 8.2 32.9 16.0 111 21 B G T 3< S+ 0 0 44 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.2 0.507 78.3 91.8 -81.5 -2.3 5.9 35.5 14.4 112 22 B R T < S- 0 0 117 -3,-1.4 2,-0.3 1,-0.2 -1,-0.2 0.914 104.0 -32.4 -55.8 -54.3 5.6 37.4 17.7 113 23 B C S < S+ 0 0 92 -3,-0.6 -1,-0.2 -4,-0.3 2,-0.0 -0.974 105.1 11.4-163.5 159.5 8.5 39.8 17.0 114 24 B G S S+ 0 0 77 -2,-0.3 2,-0.4 -3,-0.1 -4,-0.0 -0.298 110.0 18.3 68.2-142.6 11.9 39.9 15.3 115 25 B D > - 0 0 84 1,-0.2 3,-1.7 2,-0.1 -2,-0.2 -0.455 62.5-154.7 -73.9 116.6 13.0 37.2 12.9 116 26 B K T 3 S+ 0 0 94 -2,-0.4 -1,-0.2 1,-0.3 -6,-0.1 0.580 92.4 55.7 -73.9 -1.4 10.0 35.2 11.8 117 27 B Y T 3 S+ 0 0 29 -7,-0.1 45,-0.4 -6,-0.0 2,-0.3 0.326 102.9 64.6-107.1 4.9 12.3 32.2 11.2 118 28 B K < - 0 0 53 -3,-1.7 2,-0.3 -8,-0.2 43,-0.2 -0.955 55.0-163.9-133.6 145.6 13.8 32.0 14.7 119 29 B L B -B 160 0B 1 41,-2.7 41,-1.6 -2,-0.3 2,-0.2 -0.942 23.0-125.5-111.6 156.7 12.8 31.3 18.3 120 30 B b > - 0 0 37 -2,-0.3 4,-2.3 39,-0.2 3,-0.3 -0.618 31.3-114.6 -82.1 156.8 14.7 32.1 21.5 121 31 B Q H > S+ 0 0 29 36,-1.7 4,-2.9 1,-0.2 5,-0.2 0.878 119.4 58.2 -64.1 -27.6 15.1 29.1 23.8 122 32 B A H > S+ 0 0 67 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.894 107.0 46.8 -66.0 -39.3 12.9 30.8 26.3 123 33 B E H > S+ 0 0 37 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.890 111.3 51.4 -69.2 -38.2 10.1 30.9 23.6 124 34 B L H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.925 109.8 50.0 -65.1 -42.2 10.7 27.3 22.8 125 35 B K H X S+ 0 0 66 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.946 112.0 47.4 -58.0 -48.3 10.4 26.4 26.5 126 36 B E H X S+ 0 0 45 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.931 111.6 51.8 -59.3 -45.3 7.2 28.4 26.7 127 37 B L H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.4 0.929 112.5 43.7 -55.5 -52.2 5.9 26.7 23.5 128 38 B L H X S+ 0 0 4 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.877 115.2 48.9 -67.0 -35.5 6.6 23.2 24.8 129 39 B Q H < S+ 0 0 103 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.874 122.0 33.2 -73.8 -34.9 5.2 23.9 28.3 130 40 B K H >< S+ 0 0 115 -4,-2.6 3,-0.7 -5,-0.2 -2,-0.2 0.876 123.5 41.1 -85.8 -43.3 2.0 25.5 27.0 131 41 B E H 3< S+ 0 0 29 -4,-3.2 -127,-0.5 -5,-0.3 -3,-0.2 0.700 127.5 31.0 -88.8 -20.1 1.3 23.5 23.8 132 42 B L T >< S+ 0 0 5 -4,-1.3 3,-1.8 -5,-0.4 -1,-0.2 -0.243 77.7 144.0-122.2 42.6 2.2 20.0 25.1 133 43 B A T < + 0 0 51 -3,-0.7 -2,-0.1 1,-0.3 -1,-0.1 0.767 68.1 50.0 -58.2 -33.3 1.2 20.7 28.7 134 44 B T T 3 S+ 0 0 80 -3,-0.1 2,-0.4 -4,-0.1 -1,-0.3 0.544 84.5 107.2 -88.1 -4.5 -0.1 17.2 29.4 135 45 B W < + 0 0 38 -3,-1.8 42,-0.1 -6,-0.1 -3,-0.1 -0.597 43.8 171.5 -83.7 125.5 3.0 15.3 28.1 136 46 B T - 0 0 95 -2,-0.4 -2,-0.0 40,-0.4 6,-0.0 -0.940 36.0 -86.8-134.3 155.8 5.1 13.8 30.9 137 47 B P - 0 0 29 0, 0.0 39,-0.3 0, 0.0 5,-0.1 -0.240 38.6-117.7 -68.3 145.7 8.1 11.4 30.8 138 48 B T >> - 0 0 13 37,-3.2 3,-1.7 36,-0.1 4,-0.5 -0.161 45.7 -83.6 -76.4 172.8 7.8 7.6 30.7 139 49 B E T 34 S+ 0 0 78 1,-0.3 3,-0.1 2,-0.2 -1,-0.1 0.689 126.7 30.8 -66.4 -22.4 9.2 5.6 33.5 140 50 B F T 34 S+ 0 0 86 1,-0.1 -1,-0.3 41,-0.1 4,-0.2 0.387 109.0 69.5-108.7 -1.1 12.8 5.4 32.4 141 51 B A T <> + 0 0 9 -3,-1.7 4,-2.8 34,-0.2 5,-0.2 0.446 65.3 102.2 -96.9 -6.2 13.0 8.7 30.6 142 52 B E H X S+ 0 0 103 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.844 81.9 44.7 -58.4 -41.5 12.8 11.0 33.6 143 53 B C H > S+ 0 0 95 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.875 115.1 46.8 -76.0 -36.7 16.4 12.0 33.9 144 54 B D H > S+ 0 0 88 -4,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.908 113.3 50.5 -68.4 -40.7 16.9 12.6 30.2 145 55 B Y H X S+ 0 0 41 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.949 110.7 49.1 -60.0 -45.3 13.7 14.7 30.1 146 56 B N H X S+ 0 0 94 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.904 111.2 48.7 -65.2 -40.5 14.9 16.7 33.1 147 57 B K H X S+ 0 0 125 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.918 111.7 51.3 -63.6 -40.8 18.2 17.4 31.5 148 58 B F H X S+ 0 0 30 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.923 112.3 44.2 -60.5 -46.7 16.5 18.4 28.2 149 59 B M H X S+ 0 0 28 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.810 111.0 54.1 -75.7 -28.2 14.1 20.9 29.9 150 60 B S H X S+ 0 0 58 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.877 102.0 58.5 -72.1 -35.6 16.9 22.4 32.1 151 61 B V H X S+ 0 0 77 -4,-1.9 4,-2.9 1,-0.3 -2,-0.2 0.913 106.3 48.4 -60.1 -41.9 19.0 23.1 29.1 152 62 B L H < S+ 0 0 7 -4,-1.3 -1,-0.3 1,-0.2 -27,-0.2 0.796 111.6 50.1 -65.0 -37.4 16.2 25.3 27.6 153 63 B D H < S+ 0 0 59 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.857 119.0 36.9 -71.8 -36.4 15.8 27.1 30.9 154 64 B T H < S+ 0 0 118 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.959 103.2 76.0 -79.5 -54.9 19.5 27.9 31.2 155 65 B N < - 0 0 36 -4,-2.9 -33,-0.0 -5,-0.2 0, 0.0 -0.320 51.3-179.3 -64.1 131.6 20.5 28.5 27.6 156 66 B K + 0 0 88 -35,-0.1 2,-0.3 -36,-0.1 -1,-0.1 -0.233 32.5 133.4-126.5 39.1 19.4 31.9 26.2 157 67 B D - 0 0 61 1,-0.1 -36,-1.7 -37,-0.0 3,-0.2 -0.677 45.2-152.0 -78.8 144.9 20.7 31.6 22.7 158 68 B b + 0 0 59 -2,-0.3 -38,-0.1 -38,-0.2 -1,-0.1 -0.282 66.3 101.6-117.5 45.5 18.1 32.7 20.1 159 69 B E + 0 0 136 -41,-0.1 2,-0.8 2,-0.1 -39,-0.2 0.067 39.5 137.4-115.4 21.0 19.1 30.7 17.1 160 70 B V B -B 119 0B 6 -41,-1.6 -41,-2.7 -3,-0.2 2,-0.1 -0.592 34.6-172.3 -69.7 106.7 16.4 28.0 17.4 161 71 B D > - 0 0 66 -2,-0.8 4,-2.5 -43,-0.2 5,-0.2 -0.328 40.6 -89.7 -95.2 177.6 15.3 27.5 13.9 162 72 B F H > S+ 0 0 5 -45,-0.4 4,-2.7 2,-0.2 5,-0.2 0.916 126.2 52.7 -55.6 -42.8 12.4 25.4 12.6 163 73 B V H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 111.0 47.0 -63.5 -36.1 14.5 22.2 12.3 164 74 B E H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.889 110.1 53.6 -72.1 -38.1 15.7 22.6 15.9 165 75 B Y H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.951 110.7 46.0 -59.4 -42.5 12.1 23.2 17.0 166 76 B V H X S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.895 108.5 56.1 -73.5 -32.2 10.9 20.0 15.3 167 77 B R H X S+ 0 0 127 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.910 104.5 54.1 -60.9 -39.4 13.9 18.1 16.8 168 78 B S H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.909 106.6 51.0 -64.7 -36.4 12.7 19.2 20.2 169 79 B L H X S+ 0 0 4 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.906 109.5 51.1 -63.7 -43.6 9.3 17.8 19.5 170 80 B A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.922 108.8 50.5 -60.4 -43.2 10.9 14.5 18.5 171 81 B C H X S+ 0 0 10 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.927 106.7 54.9 -63.3 -38.1 12.9 14.4 21.7 172 82 B L H X S+ 0 0 5 -4,-2.3 4,-2.0 1,-0.3 5,-0.3 0.873 106.5 52.5 -64.7 -32.3 9.7 15.0 23.7 173 83 B C H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 7,-0.3 0.913 106.9 51.2 -62.5 -48.0 8.2 12.0 21.9 174 84 B L H < S+ 0 0 52 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.859 119.3 38.1 -60.9 -31.0 11.2 9.8 22.9 175 85 B Y H < S+ 0 0 42 -4,-2.0 -37,-3.2 -5,-0.2 -34,-0.2 0.756 129.7 24.8 -83.5 -35.0 10.7 10.9 26.5 176 86 B C H < S+ 0 0 18 -4,-2.0 2,-0.5 -39,-0.3 -40,-0.4 0.494 96.2 87.5-118.7 -19.1 7.0 11.0 26.9 177 87 B H >< - 0 0 50 -4,-2.3 3,-1.7 -5,-0.3 4,-0.1 -0.864 67.4-139.1 -95.7 130.1 5.3 8.7 24.4 178 88 B E G > S+ 0 0 120 -2,-0.5 3,-1.7 1,-0.3 4,-0.3 0.723 95.8 73.6 -58.9 -26.6 4.9 5.1 25.5 179 89 B Y G 3 S+ 0 0 28 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.860 102.1 42.3 -55.8 -32.4 5.9 3.8 22.0 180 90 B F G X S+ 0 0 6 -3,-1.7 3,-1.3 -7,-0.3 -1,-0.3 0.245 78.3 113.6-102.2 11.0 9.5 4.7 22.8 181 91 B K T < S+ 0 0 88 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.898 89.3 31.9 -48.9 -41.4 9.5 3.4 26.4 182 92 B D T 3 S+ 0 0 112 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.317 91.0 122.5-108.6 7.5 12.0 0.7 25.5 183 93 B C < 0 0 42 -3,-1.3 -3,-0.1 1,-0.1 -4,-0.0 -0.458 360.0 360.0 -67.4 139.8 13.9 2.5 22.8 184 94 B P 0 0 155 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.231 360.0 360.0 -44.3 360.0 17.7 2.8 23.3