==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 31-JAN-12 2LP3 . COMPND 2 MOLECULE: PROTEIN S100-A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.BUDZINSKA,K.RUSZCZYNSKA-BARTNIK,A.BELCZYK-CIESIELSKA,A.BIE . 186 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11338.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 82.8 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 . 6 3.2 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 58.1 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 0 0 0 0 0 2 2 0 0 0 0 0 0 2 0 0 0 2 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 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 ANTIPARALLEL 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 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 G 0 0 98 0, 0.0 133,-0.1 0, 0.0 134,-0.1 0.000 360.0 360.0 360.0 -3.5 153.4 -1.1 -14.7 2 2 A S > - 0 0 27 131,-0.3 4,-1.2 132,-0.3 3,-0.4 -0.236 360.0-110.9 -69.7 161.9 153.1 -3.2 -11.6 3 3 A E H > S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.861 116.9 61.8 -62.1 -35.6 149.7 -4.6 -10.5 4 4 A L H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.887 97.9 56.3 -58.7 -39.4 149.6 -2.2 -7.6 5 5 A E H > S+ 0 0 54 -3,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.924 109.3 46.7 -59.4 -40.6 149.6 0.7 -10.0 6 6 A T H X S+ 0 0 80 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.873 109.6 55.7 -65.3 -39.1 146.5 -0.8 -11.6 7 7 A A H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.913 102.3 52.6 -63.7 -44.5 145.0 -1.4 -8.2 8 8 A M H X S+ 0 0 6 -4,-2.6 4,-1.6 1,-0.3 -1,-0.2 0.933 113.8 46.1 -58.0 -40.3 145.2 2.3 -7.1 9 9 A E H X S+ 0 0 91 -4,-1.4 4,-3.1 -5,-0.2 -1,-0.3 0.858 107.7 58.1 -66.7 -36.2 143.4 3.1 -10.3 10 10 A T H X S+ 0 0 21 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.908 103.5 51.6 -61.1 -43.4 141.0 0.3 -9.6 11 11 A L H X S+ 0 0 27 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.935 115.4 41.2 -60.4 -45.6 139.9 1.8 -6.3 12 12 A I H X S+ 0 0 41 -4,-1.6 4,-3.2 -5,-0.2 5,-0.2 0.900 112.1 55.9 -68.1 -41.4 139.3 5.2 -7.9 13 13 A N H X S+ 0 0 88 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.896 113.2 40.5 -60.1 -40.6 137.7 3.7 -10.9 14 14 A V H X S+ 0 0 13 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.899 115.0 53.3 -74.9 -38.0 135.1 1.8 -8.8 15 15 A F H X S+ 0 0 18 -4,-2.4 4,-2.6 -5,-0.3 5,-0.4 0.912 106.3 52.3 -60.3 -45.3 134.7 4.8 -6.5 16 16 A H H X S+ 0 0 92 -4,-3.2 4,-1.1 1,-0.2 -1,-0.2 0.901 114.2 42.6 -58.9 -44.3 133.9 7.1 -9.4 17 17 A A H X S+ 0 0 59 -4,-1.3 4,-0.5 -5,-0.2 -2,-0.2 0.948 119.7 40.1 -69.0 -51.7 131.2 4.9 -10.8 18 18 A H H >< S+ 0 0 44 -4,-2.6 3,-1.4 1,-0.2 4,-0.5 0.922 113.8 50.9 -65.5 -48.4 129.5 3.9 -7.5 19 19 A S H >< S+ 0 0 0 -4,-2.6 3,-1.2 -5,-0.3 -1,-0.2 0.856 101.3 65.4 -59.6 -35.0 129.7 7.3 -5.8 20 20 A G H 3< S+ 0 0 27 -4,-1.1 -1,-0.3 -5,-0.4 -2,-0.2 0.742 83.0 76.2 -58.3 -27.3 128.1 8.9 -8.9 21 21 A K T << S+ 0 0 120 -3,-1.4 2,-0.4 -4,-0.5 -1,-0.3 0.897 110.2 16.1 -55.8 -38.9 124.9 7.0 -8.3 22 22 A E S < S- 0 0 74 -3,-1.2 -1,-0.2 -4,-0.5 7,-0.2 -0.997 117.1 -27.7-140.1 142.8 124.0 9.4 -5.5 23 23 A G S S- 0 0 78 -2,-0.4 2,-0.3 -3,-0.1 5,-0.1 -0.214 109.9 -6.6 60.8-148.2 125.2 12.8 -4.4 24 24 A D > - 0 0 84 1,-0.1 3,-1.2 -3,-0.0 -2,-0.1 -0.644 55.9-140.7 -83.5 133.2 128.7 13.9 -5.1 25 25 A K T 3 S+ 0 0 71 -2,-0.3 -6,-0.1 1,-0.3 -1,-0.1 0.871 107.5 53.5 -56.3 -38.9 131.1 11.4 -6.6 26 26 A Y T 3 S+ 0 0 169 -7,-0.1 45,-0.8 -6,-0.1 2,-0.4 0.658 104.9 63.8 -71.6 -19.3 133.8 12.9 -4.4 27 27 A K E < S-A 70 0A 54 -3,-1.2 2,-0.5 43,-0.2 43,-0.2 -0.916 75.3-145.9-112.3 134.2 131.6 12.4 -1.3 28 28 A L E -A 69 0A 0 41,-1.3 41,-0.9 -2,-0.4 2,-0.2 -0.856 12.9-155.0-101.8 130.6 130.5 8.9 -0.1 29 29 A S > - 0 0 31 -2,-0.5 4,-3.1 -7,-0.2 5,-0.2 -0.628 29.4-110.2-100.5 160.0 127.1 8.5 1.5 30 30 A K H > S+ 0 0 82 1,-0.2 4,-3.0 -2,-0.2 5,-0.2 0.899 119.3 50.9 -56.4 -40.6 126.1 5.8 4.0 31 31 A K H > S+ 0 0 114 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.946 112.3 44.9 -60.8 -49.1 123.9 4.2 1.4 32 32 A E H > S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.901 113.4 51.8 -62.6 -38.4 126.6 4.1 -1.2 33 33 A L H X S+ 0 0 3 -4,-3.1 4,-2.7 2,-0.2 5,-0.4 0.928 109.5 49.2 -62.3 -44.9 129.0 2.8 1.5 34 34 A K H X S+ 0 0 46 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.900 113.6 47.0 -60.3 -42.3 126.6 0.1 2.4 35 35 A E H X S+ 0 0 70 -4,-2.5 4,-2.8 -5,-0.2 5,-0.5 0.886 111.5 50.1 -70.3 -38.9 126.2 -0.9 -1.2 36 36 A L H X>S+ 0 0 4 -4,-2.9 4,-2.3 2,-0.2 5,-0.6 0.952 118.7 36.6 -66.4 -48.1 130.0 -0.8 -1.9 37 37 A L H X5S+ 0 0 17 -4,-2.7 4,-1.9 3,-0.2 8,-0.3 0.934 121.6 47.0 -68.9 -44.1 130.9 -3.0 1.0 38 38 A Q H <5S+ 0 0 32 -4,-2.4 -2,-0.2 -5,-0.4 -3,-0.2 0.878 122.8 32.7 -64.4 -42.2 127.9 -5.2 0.7 39 39 A T H ><5S+ 0 0 74 -4,-2.8 3,-0.7 -5,-0.2 57,-0.3 0.911 126.1 38.7 -83.5 -46.6 128.1 -5.6 -3.1 40 40 A E H 3<5S+ 0 0 5 -4,-2.3 56,-0.3 -5,-0.5 -3,-0.2 0.862 134.2 25.5 -73.2 -34.2 131.9 -5.6 -3.5 41 41 A L T 3X + 0 0 60 -3,-0.4 3,-1.2 -5,-0.4 4,-0.3 0.275 4.7 176.2 -18.9 76.6 128.6 -9.7 4.6 47 47 A A G > + 0 0 17 1,-0.3 3,-1.2 2,-0.2 6,-0.2 0.674 62.7 84.1 -65.4 -20.1 126.9 -6.9 6.5 48 48 A Q G > S+ 0 0 137 1,-0.3 3,-0.5 -6,-0.2 -1,-0.3 0.854 81.4 61.3 -54.3 -35.9 123.6 -8.7 6.0 49 49 A K G < S+ 0 0 157 -3,-1.2 2,-0.3 1,-0.3 -1,-0.3 0.869 123.1 18.7 -59.5 -35.5 124.4 -10.8 9.1 50 50 A D G X + 0 0 109 -3,-1.2 3,-0.7 -4,-0.3 4,-0.5 -0.763 62.6 174.7-140.1 91.3 124.5 -7.5 11.1 51 51 A V T X> S+ 0 0 101 -3,-0.5 3,-1.7 -2,-0.3 4,-0.5 0.890 84.3 61.2 -61.5 -39.5 122.8 -4.5 9.6 52 52 A D H >> S+ 0 0 110 1,-0.3 4,-1.2 2,-0.2 3,-0.9 0.812 90.4 70.5 -55.9 -33.1 123.4 -2.5 12.8 53 53 A A H <> S+ 0 0 37 -3,-0.7 4,-2.5 1,-0.2 -1,-0.3 0.781 83.2 70.5 -57.9 -28.9 127.1 -3.0 12.2 54 54 A V H <> S+ 0 0 20 -3,-1.7 4,-2.6 -4,-0.5 -1,-0.2 0.930 98.3 48.6 -56.7 -44.2 127.0 -0.6 9.2 55 55 A D H > -A 27 0A 37 -2,-0.5 4,-2.3 -9,-0.3 3,-0.6 -0.699 28.0-117.9 -99.6 152.3 134.5 11.0 2.8 71 71 A F H 3> S+ 0 0 25 -45,-0.8 4,-2.8 -2,-0.3 5,-0.2 0.895 117.1 59.5 -54.8 -39.6 136.5 8.9 0.4 72 72 A Q H 3> S+ 0 0 142 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.906 108.0 44.9 -56.3 -40.6 139.6 9.9 2.2 73 73 A E H <> S+ 0 0 23 -3,-0.6 4,-1.3 1,-0.2 -1,-0.2 0.891 113.0 52.6 -67.7 -40.2 138.1 8.4 5.4 74 74 A Y H X S+ 0 0 14 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.863 102.7 55.9 -63.7 -42.5 137.0 5.3 3.4 75 75 A V H X S+ 0 0 4 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.867 104.1 54.0 -63.8 -36.3 140.4 4.5 1.8 76 76 A V H X S+ 0 0 64 -4,-1.1 4,-0.8 -5,-0.2 -1,-0.2 0.941 112.9 42.9 -63.4 -45.4 142.1 4.3 5.2 77 77 A L H >X S+ 0 0 30 -4,-1.3 4,-2.2 1,-0.2 3,-0.6 0.873 105.7 60.9 -67.8 -40.8 139.6 1.8 6.5 78 78 A V H 3X S+ 0 0 14 -4,-2.5 4,-2.5 1,-0.3 5,-0.2 0.876 98.9 58.6 -57.4 -35.5 139.5 -0.4 3.3 79 79 A A H 3X S+ 0 0 5 -4,-1.3 4,-1.2 1,-0.2 -1,-0.3 0.895 108.2 45.7 -60.5 -38.7 143.2 -1.1 3.7 80 80 A A H X S+ 0 0 38 -4,-1.2 3,-0.9 1,-0.2 4,-0.6 0.903 110.5 53.5 -63.9 -40.6 143.9 -7.6 5.6 84 84 A A H >X S+ 0 0 57 -4,-2.0 3,-1.2 1,-0.3 4,-0.7 0.825 96.8 67.7 -62.7 -31.6 141.0 -8.7 7.8 85 85 A C H >X S+ 0 0 14 -4,-2.2 4,-1.1 1,-0.3 3,-1.1 0.859 89.2 64.6 -57.2 -35.7 139.6 -10.5 4.8 86 86 A N H X S+ 0 0 138 -4,-1.1 3,-1.6 1,-0.3 4,-0.6 0.893 102.1 61.4 -59.4 -41.1 140.8 -17.5 4.5 90 90 A W H >< S+ 0 0 165 -4,-2.4 3,-1.4 1,-0.3 -1,-0.3 0.840 92.2 66.9 -55.2 -33.9 142.5 -18.7 7.7 91 91 A E H << S+ 0 0 146 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.839 87.5 67.9 -56.6 -33.4 139.2 -20.3 8.7 92 92 A N H << 0 0 125 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.862 360.0 360.0 -55.1 -36.6 139.7 -22.7 5.8 93 93 A S << 0 0 162 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 -0.153 360.0 360.0-172.8 360.0 142.7 -24.2 7.7 94 !* 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 95 1 B G 0 0 98 0, 0.0 -55,-0.1 0, 0.0 -54,-0.1 0.000 360.0 360.0 360.0 -3.5 133.0 -10.2 -8.6 96 2 B S > - 0 0 27 -57,-0.3 4,-1.2 -56,-0.3 3,-0.4 -0.237 360.0-110.9 -69.7 161.9 133.6 -6.5 -8.4 97 3 B E H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.861 116.9 61.8 -62.1 -35.5 137.0 -5.0 -9.4 98 4 B L H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.887 97.9 56.3 -58.8 -39.3 137.6 -4.1 -5.7 99 5 B E H > S+ 0 0 55 -3,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.924 109.3 46.7 -59.4 -40.6 137.5 -7.8 -4.8 100 6 B T H X S+ 0 0 79 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.873 109.6 55.7 -65.2 -39.2 140.2 -8.3 -7.3 101 7 B A H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.913 102.3 52.6 -63.7 -44.5 142.1 -5.4 -6.0 102 8 B M H X S+ 0 0 6 -4,-2.6 4,-1.6 1,-0.3 -1,-0.2 0.933 113.8 46.1 -57.9 -40.4 142.3 -6.6 -2.4 103 9 B E H X S+ 0 0 90 -4,-1.4 4,-3.1 -5,-0.2 -1,-0.3 0.858 107.7 58.1 -66.6 -36.2 143.7 -9.8 -3.8 104 10 B T H X S+ 0 0 20 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.908 103.5 51.6 -61.0 -43.5 146.0 -7.8 -6.0 105 11 B L H X S+ 0 0 28 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.935 115.4 41.3 -60.3 -45.8 147.6 -6.1 -3.0 106 12 B I H X S+ 0 0 41 -4,-1.6 4,-3.2 -5,-0.2 5,-0.2 0.900 112.0 55.9 -68.0 -41.4 148.3 -9.4 -1.3 107 13 B N H X S+ 0 0 88 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.896 113.2 40.5 -60.1 -40.6 149.4 -11.0 -4.5 108 14 B V H X S+ 0 0 13 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.899 115.0 53.3 -75.0 -38.0 152.0 -8.4 -5.0 109 15 B F H X S+ 0 0 15 -4,-2.4 4,-2.6 -5,-0.3 5,-0.4 0.913 106.3 52.3 -60.2 -45.3 152.9 -8.4 -1.4 110 16 B H H X S+ 0 0 96 -4,-3.2 4,-1.1 1,-0.2 -1,-0.2 0.902 114.2 42.6 -59.0 -44.2 153.5 -12.1 -1.3 111 17 B A H X S+ 0 0 60 -4,-1.3 4,-0.5 -5,-0.2 -2,-0.2 0.949 119.7 40.1 -69.1 -51.6 155.8 -12.0 -4.2 112 18 B H H >< S+ 0 0 43 -4,-2.6 3,-1.4 1,-0.2 4,-0.5 0.921 113.8 50.9 -65.4 -48.5 157.9 -8.9 -3.3 113 19 B S H >< S+ 0 0 0 -4,-2.6 3,-1.2 -5,-0.3 -1,-0.2 0.856 101.3 65.4 -59.5 -35.0 158.2 -9.6 0.5 114 20 B G H 3< S+ 0 0 29 -4,-1.1 -1,-0.3 -5,-0.4 -2,-0.2 0.742 83.0 76.2 -58.3 -27.3 159.4 -13.1 -0.3 115 21 B K T << S+ 0 0 124 -3,-1.4 2,-0.4 -4,-0.5 -1,-0.3 0.897 110.2 16.1 -55.7 -39.0 162.5 -11.7 -1.9 116 22 B E S < S- 0 0 75 -3,-1.2 -1,-0.2 -4,-0.5 7,-0.2 -0.998 117.1 -27.8-139.9 142.9 163.9 -10.9 1.6 117 23 B G S S- 0 0 78 -2,-0.4 2,-0.3 -3,-0.1 5,-0.1 -0.213 109.9 -6.5 60.8-148.2 163.1 -12.0 5.1 118 24 B D > - 0 0 91 1,-0.1 3,-1.2 -3,-0.0 -2,-0.1 -0.643 55.9-140.7 -83.6 133.2 159.6 -13.1 6.0 119 25 B K T 3 S+ 0 0 72 -2,-0.3 -6,-0.1 1,-0.3 -1,-0.1 0.871 107.5 53.5 -56.2 -38.9 156.9 -12.6 3.4 120 26 B Y T 3 S+ 0 0 170 -7,-0.1 45,-0.8 -6,-0.1 2,-0.4 0.658 104.9 63.9 -71.5 -19.4 154.6 -11.5 6.2 121 27 B K E < S-B 164 0B 53 -3,-1.2 2,-0.5 43,-0.2 43,-0.2 -0.916 75.3-145.9-112.2 134.1 157.2 -8.9 7.4 122 28 B L E -B 163 0B 0 41,-1.3 41,-0.9 -2,-0.4 2,-0.2 -0.855 12.9-155.0-101.8 130.6 158.1 -6.0 5.2 123 29 B S > - 0 0 30 -2,-0.5 4,-3.1 -7,-0.2 5,-0.2 -0.629 29.3-110.2-100.4 160.1 161.7 -4.6 5.4 124 30 B K H > S+ 0 0 83 1,-0.2 4,-3.0 -2,-0.2 5,-0.2 0.899 119.3 50.8 -56.5 -40.7 162.9 -1.1 4.5 125 31 B K H > S+ 0 0 113 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.946 112.3 45.0 -60.8 -49.2 164.6 -2.4 1.4 126 32 B E H > S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.901 113.4 51.8 -62.6 -38.2 161.6 -4.2 0.2 127 33 B L H X S+ 0 0 2 -4,-3.1 4,-2.7 2,-0.2 5,-0.4 0.928 109.5 49.2 -62.3 -44.9 159.5 -1.1 1.1 128 34 B K H X S+ 0 0 47 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.900 113.6 47.0 -60.3 -42.3 161.8 1.1 -0.9 129 35 B E H X S+ 0 0 71 -4,-2.5 4,-2.7 -5,-0.2 5,-0.5 0.885 111.5 50.1 -70.3 -38.9 161.6 -1.3 -3.8 130 36 B L H X>S+ 0 0 3 -4,-2.9 4,-2.3 2,-0.2 5,-0.6 0.952 118.7 36.6 -66.4 -48.1 157.8 -1.6 -3.7 131 37 B L H X5S+ 0 0 17 -4,-2.7 4,-1.8 3,-0.2 8,-0.3 0.934 121.6 47.0 -68.8 -44.1 157.1 2.1 -3.6 132 38 B Q H <5S+ 0 0 35 -4,-2.4 -2,-0.2 -5,-0.4 -3,-0.2 0.879 122.8 32.7 -64.4 -42.2 160.0 2.9 -5.9 133 39 B T H ><5S+ 0 0 73 -4,-2.7 3,-0.7 -5,-0.2 -131,-0.3 0.912 126.1 38.7 -83.5 -46.6 159.2 0.2 -8.5 134 40 B E H 3<5S+ 0 0 6 -4,-2.3 -132,-0.3 -5,-0.5 -3,-0.2 0.862 134.2 25.4 -73.2 -34.2 155.4 0.1 -8.3 135 41 B L T 3X + 0 0 61 -3,-0.4 3,-1.2 -5,-0.4 4,-0.3 0.274 4.7 176.1 -18.9 76.7 159.4 8.8 -7.2 141 47 B A G > + 0 0 15 1,-0.3 3,-1.2 2,-0.2 6,-0.2 0.674 62.7 84.1 -65.6 -20.0 161.5 8.5 -4.0 142 48 B Q G > S+ 0 0 136 1,-0.3 3,-0.5 -6,-0.2 -1,-0.3 0.854 81.5 61.3 -54.3 -35.9 164.6 9.0 -6.1 143 49 B K G < S+ 0 0 158 -3,-1.2 2,-0.3 1,-0.3 -1,-0.3 0.869 123.1 18.7 -59.6 -35.5 164.1 12.7 -5.9 144 50 B D G X + 0 0 106 -3,-1.2 3,-0.7 -4,-0.3 4,-0.5 -0.762 62.6 174.7-140.2 91.4 164.5 12.5 -2.1 145 51 B V T X> S+ 0 0 98 -3,-0.5 3,-1.7 -2,-0.3 4,-0.5 0.890 84.3 61.2 -61.6 -39.5 166.2 9.3 -0.8 146 52 B D H >> S+ 0 0 110 1,-0.3 4,-1.2 2,-0.2 3,-0.9 0.812 90.4 70.5 -55.7 -33.3 166.1 10.7 2.7 147 53 B A H <> S+ 0 0 36 -3,-0.7 4,-2.5 1,-0.2 -1,-0.3 0.782 83.2 70.5 -57.9 -28.8 162.3 10.8 2.4 148 54 B V H <> S+ 0 0 20 -3,-1.7 4,-2.6 -4,-0.5 -1,-0.2 0.930 98.3 48.5 -56.7 -44.1 162.2 7.0 2.6 149 55 B D H > -B 121 0B 37 -2,-0.5 4,-2.3 -9,-0.3 3,-0.6 -0.699 28.1-117.9 -99.6 152.3 154.7 -4.6 9.1 165 71 B F H 3> S+ 0 0 21 -45,-0.8 4,-2.8 -2,-0.3 5,-0.2 0.895 117.1 59.4 -54.8 -39.7 152.3 -5.2 6.2 166 72 B Q H 3> S+ 0 0 144 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.906 108.0 44.9 -56.2 -40.7 149.5 -4.1 8.5 167 73 B E H <> S+ 0 0 24 -3,-0.6 4,-1.3 1,-0.2 -1,-0.2 0.890 113.0 52.6 -67.6 -40.3 151.3 -0.8 8.9 168 74 B Y H X S+ 0 0 14 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.863 102.7 55.9 -63.7 -42.4 151.9 -0.6 5.2 169 75 B V H X S+ 0 0 5 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.867 104.0 54.0 -63.9 -36.3 148.3 -1.1 4.1 170 76 B V H X S+ 0 0 62 -4,-1.1 4,-0.8 -5,-0.2 -1,-0.2 0.941 112.9 43.0 -63.5 -45.3 147.0 1.8 6.1 171 77 B L H >X S+ 0 0 28 -4,-1.3 4,-2.2 1,-0.2 3,-0.6 0.873 105.7 60.9 -67.9 -40.9 149.5 4.2 4.5 172 78 B V H 3X S+ 0 0 15 -4,-2.5 4,-2.5 1,-0.3 -1,-0.2 0.875 98.9 58.6 -57.4 -35.5 149.1 2.9 0.9 173 79 B A H 3X S+ 0 0 4 -4,-1.3 4,-1.2 1,-0.2 -1,-0.3 0.895 108.2 45.7 -60.5 -38.8 145.4 3.9 1.1 174 80 B A H X S+ 0 0 39 -4,-1.2 3,-0.9 1,-0.2 4,-0.6 0.902 110.5 53.6 -64.0 -40.4 144.6 9.4 -2.9 178 84 B A H >X S+ 0 0 58 -4,-2.0 3,-1.2 1,-0.3 4,-0.7 0.826 96.8 67.7 -62.8 -31.5 147.7 11.5 -2.9 179 85 B C H >X S+ 0 0 13 -4,-2.2 4,-1.1 1,-0.3 3,-1.1 0.859 89.2 64.6 -57.1 -35.8 148.5 10.2 -6.3 180 86 B N H X S+ 0 0 143 -4,-1.1 3,-1.6 1,-0.3 4,-0.6 0.893 102.1 61.4 -59.5 -41.1 146.9 14.2 -11.9 184 90 B W H >< S+ 0 0 166 -4,-2.4 3,-1.4 1,-0.3 -1,-0.3 0.840 92.1 66.9 -55.1 -34.0 145.5 17.5 -10.8 185 91 B E H << S+ 0 0 144 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.838 87.5 67.9 -56.6 -33.3 148.8 19.1 -11.9 186 92 B N H << 0 0 124 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.861 360.0 360.0 -55.1 -36.8 147.7 18.2 -15.5 187 93 B S << 0 0 161 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 -0.155 360.0 360.0-172.7 360.0 145.0 20.8 -15.1