==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM BINDING PROTEIN 19-MAR-98 1A75 . COMPND 2 MOLECULE: PARVALBUMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MERLANGIUS MERLANGUS; . AUTHOR J.P.DECLERCQ,J.L.BANERES,J.RAMBAUD,J.PARELLO . 214 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 65.4 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 . 5 2.3 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 . 1 0.5 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 . 10 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 38.8 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 1 3 0 1 4 1 0 4 0 0 0 0 0 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 105 0, 0.0 69,-0.4 0, 0.0 66,-0.2 0.000 360.0 360.0 360.0 136.9 -13.0 20.7 81.2 2 4 A G > + 0 0 11 64,-2.3 3,-1.5 67,-0.4 65,-0.2 0.679 360.0 138.2 81.9 16.9 -14.4 17.2 81.6 3 5 A I T 3 S+ 0 0 133 1,-0.3 65,-0.2 63,-0.3 64,-0.1 0.825 75.1 41.9 -67.0 -29.8 -13.5 16.4 78.1 4 6 A L T 3 S+ 0 0 50 63,-2.5 -1,-0.3 2,-0.0 2,-0.2 0.030 89.4 143.6-100.9 26.8 -12.3 12.9 79.1 5 7 A A < + 0 0 38 -3,-1.5 2,-0.3 62,-0.1 64,-0.1 -0.481 11.3 146.9 -79.7 136.8 -15.2 12.3 81.4 6 8 A D > - 0 0 85 62,-0.3 4,-2.8 -2,-0.2 5,-0.3 -0.921 60.6 -91.7-151.5 163.3 -16.8 8.9 81.9 7 9 A A H > S+ 0 0 81 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.874 121.8 46.8 -45.1 -53.6 -18.4 7.2 84.8 8 10 A D H > S+ 0 0 85 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.981 116.9 40.5 -59.4 -58.3 -15.2 5.5 86.0 9 11 A a H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.813 114.0 55.3 -66.8 -23.6 -12.9 8.5 85.9 10 12 A A H X S+ 0 0 32 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.937 108.2 49.4 -68.4 -43.1 -15.7 10.7 87.2 11 13 A A H X S+ 0 0 36 -4,-2.7 4,-1.3 -5,-0.3 -2,-0.2 0.804 108.7 52.5 -61.5 -31.7 -15.9 8.3 90.2 12 14 A A H X S+ 0 0 4 -4,-1.9 4,-0.8 2,-0.2 3,-0.2 0.942 110.1 48.2 -71.3 -42.7 -12.1 8.5 90.6 13 15 A V H >< S+ 0 0 14 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.969 110.3 51.0 -58.6 -54.8 -12.4 12.3 90.7 14 16 A K H >< S+ 0 0 137 -4,-2.8 3,-1.1 1,-0.3 -1,-0.2 0.782 102.7 63.0 -49.6 -32.9 -15.2 12.1 93.3 15 17 A A H 3< S+ 0 0 80 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.707 110.6 36.1 -73.1 -21.2 -13.0 9.8 95.4 16 18 A C T << S+ 0 0 7 -3,-1.7 5,-0.3 -4,-0.8 -1,-0.3 -0.244 75.6 132.3-120.2 40.8 -10.4 12.5 95.9 17 19 A E < + 0 0 124 -3,-1.1 2,-0.2 4,-0.1 -1,-0.1 0.844 55.6 78.0 -61.0 -34.4 -12.7 15.4 96.2 18 20 A A S > S- 0 0 65 -3,-0.2 3,-1.1 -4,-0.2 4,-0.2 -0.512 97.5 -95.3 -81.9 146.0 -11.0 16.7 99.3 19 21 A A T 3 S+ 0 0 64 1,-0.2 -1,-0.1 -2,-0.2 56,-0.1 -0.327 107.5 14.4 -61.4 136.0 -7.7 18.5 99.1 20 22 A D T 3 S+ 0 0 105 -4,-0.1 -1,-0.2 -3,-0.1 -3,-0.1 0.772 95.2 107.2 72.0 30.4 -4.6 16.3 99.6 21 23 A S < + 0 0 55 -3,-1.1 2,-0.3 -5,-0.3 -2,-0.1 0.459 51.9 105.5-110.4 -6.3 -6.5 13.1 99.2 22 24 A F + 0 0 21 -4,-0.2 2,-0.3 -6,-0.2 3,-0.0 -0.570 35.2 169.2 -86.2 139.9 -5.2 12.2 95.7 23 25 A S > - 0 0 67 -2,-0.3 4,-2.2 1,-0.1 3,-0.3 -0.971 33.0-135.0-143.4 132.3 -2.7 9.5 94.8 24 26 A Y H > S+ 0 0 43 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.805 101.5 55.4 -62.7 -29.7 -2.1 8.6 91.1 25 27 A K H > S+ 0 0 98 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.957 110.4 44.9 -67.5 -45.2 -2.1 4.8 91.7 26 28 A A H > S+ 0 0 62 -3,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.914 113.3 51.7 -64.0 -41.2 -5.5 4.9 93.3 27 29 A F H >X S+ 0 0 8 -4,-2.2 4,-3.8 1,-0.2 3,-0.9 0.964 111.5 44.6 -56.5 -56.5 -6.9 7.2 90.7 28 30 A F H 3< S+ 0 0 13 -4,-2.3 6,-0.3 1,-0.3 5,-0.2 0.708 104.6 62.7 -69.4 -22.1 -5.8 5.1 87.7 29 31 A A H 3< S+ 0 0 86 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.872 116.8 32.3 -64.7 -33.6 -7.0 1.9 89.3 30 32 A K H << S+ 0 0 86 -4,-1.2 2,-1.3 -3,-0.9 -2,-0.2 0.901 115.2 59.8 -86.9 -50.5 -10.4 3.4 89.2 31 33 A a S < S- 0 0 0 -4,-3.8 2,-3.8 -5,-0.2 3,-0.5 -0.664 84.0-149.1 -80.1 93.4 -10.0 5.4 86.0 32 34 A G + 0 0 43 -2,-1.3 3,-0.5 1,-0.2 4,-0.2 -0.108 51.1 133.9 -62.9 50.2 -9.2 2.6 83.6 33 35 A L > + 0 0 4 -2,-3.8 3,-2.6 -5,-0.2 -1,-0.2 0.944 66.0 59.8 -66.3 -45.4 -6.9 4.6 81.4 34 36 A S T 3 S+ 0 0 57 -3,-0.5 -1,-0.2 70,-0.5 -2,-0.1 0.773 95.7 64.9 -51.1 -29.4 -4.2 1.9 81.3 35 37 A G T 3 S+ 0 0 67 -3,-0.5 -1,-0.3 6,-0.0 -2,-0.2 0.544 89.4 92.5 -73.6 -6.5 -6.7 -0.4 79.7 36 38 A K S < S- 0 0 90 -3,-2.6 5,-0.1 1,-0.2 -3,-0.0 -0.245 89.2 -76.7 -87.1 172.7 -7.0 1.7 76.6 37 39 A S > - 0 0 59 1,-0.1 4,-2.4 -2,-0.0 5,-0.2 -0.295 40.3-115.2 -64.3 151.2 -5.2 1.6 73.3 38 40 A A H > S+ 0 0 79 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.845 121.8 50.5 -59.0 -31.2 -1.6 2.9 73.2 39 41 A D H > S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.864 109.6 49.5 -68.0 -42.4 -3.0 5.6 70.9 40 42 A D H > S+ 0 0 66 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.757 109.5 52.2 -72.8 -25.7 -5.8 6.4 73.3 41 43 A I H X S+ 0 0 11 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.880 110.2 47.9 -76.5 -36.7 -3.3 6.7 76.1 42 44 A K H X S+ 0 0 45 -4,-1.6 4,-2.5 -5,-0.2 5,-0.2 0.877 105.9 58.7 -67.4 -37.3 -1.1 9.1 74.1 43 45 A K H X S+ 0 0 126 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.916 104.3 51.0 -59.9 -40.8 -4.3 11.1 73.3 44 46 A A H X S+ 0 0 4 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.902 107.5 54.3 -61.4 -40.5 -4.8 11.6 77.0 45 47 A F H X S+ 0 0 4 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.935 109.3 46.2 -56.4 -48.9 -1.2 12.8 77.3 46 48 A V H < S+ 0 0 60 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.823 108.5 57.2 -69.5 -27.7 -1.8 15.5 74.6 47 49 A F H < S+ 0 0 34 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.946 112.0 41.6 -61.1 -44.8 -5.0 16.5 76.3 48 50 A I H < S+ 0 0 0 -4,-2.1 2,-3.0 1,-0.2 -2,-0.2 0.837 94.6 81.1 -74.5 -33.0 -3.1 17.2 79.5 49 51 A D >< + 0 0 3 -4,-2.3 3,-2.5 1,-0.2 -1,-0.2 -0.383 62.6 171.9 -68.1 63.5 -0.2 18.8 77.7 50 52 A Q T 3 S+ 0 0 104 -2,-3.0 -1,-0.2 1,-0.3 -2,-0.1 0.771 71.5 47.8 -56.8 -30.3 -2.3 22.0 77.6 51 53 A D T 3 S- 0 0 92 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.441 105.7-126.1 -90.3 4.0 0.6 24.2 76.3 52 54 A K < + 0 0 126 -3,-2.5 -2,-0.1 -6,-0.2 4,-0.1 0.895 61.6 142.7 58.6 41.5 1.6 21.7 73.6 53 55 A S S S- 0 0 9 2,-0.5 3,-0.1 -4,-0.0 -1,-0.1 0.683 71.7-113.9 -83.5 -14.1 5.2 21.5 74.7 54 56 A G S S+ 0 0 3 1,-0.3 43,-0.4 -5,-0.2 2,-0.3 0.331 95.4 76.1 92.9 -3.0 5.3 17.8 74.0 55 57 A F S S- 0 0 32 41,-0.1 2,-0.7 -9,-0.1 -2,-0.5 -0.971 82.1-123.2-137.3 148.9 5.8 17.4 77.7 56 58 A I E -A 95 0A 0 39,-2.7 39,-2.6 -2,-0.3 2,-0.2 -0.874 32.5-160.5 -95.5 119.1 3.5 17.6 80.7 57 59 A E E >> -A 94 0A 43 -2,-0.7 4,-2.2 37,-0.2 3,-1.2 -0.508 34.3-101.2 -92.0 164.4 4.8 20.2 83.2 58 60 A E H 3> S+ 0 0 94 35,-0.5 4,-1.8 1,-0.3 5,-0.1 0.796 121.1 61.2 -55.5 -28.3 4.0 20.4 86.9 59 61 A D H 34 S+ 0 0 99 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.849 108.1 41.6 -70.7 -32.6 1.6 23.3 86.0 60 62 A E H X4 S+ 0 0 3 -3,-1.2 3,-0.9 2,-0.2 -2,-0.2 0.826 108.7 60.2 -80.7 -33.5 -0.5 21.0 83.8 61 63 A L H >< S+ 0 0 1 -4,-2.2 3,-1.9 1,-0.3 4,-0.3 0.896 97.0 62.2 -55.4 -41.4 -0.2 18.2 86.4 62 64 A K T 3< S+ 0 0 62 -4,-1.8 13,-3.0 1,-0.3 3,-0.4 0.828 105.6 45.2 -50.2 -37.0 -1.9 20.6 88.7 63 65 A L T X> S+ 0 0 51 -3,-0.9 4,-0.8 -4,-0.5 3,-0.7 0.255 77.7 115.6 -99.3 11.5 -5.0 20.6 86.5 64 66 A F H X> S+ 0 0 0 -3,-1.9 3,-0.8 1,-0.2 4,-0.6 0.829 72.3 53.9 -50.4 -43.9 -5.1 16.8 85.9 65 67 A L H >> S+ 0 0 1 -3,-0.4 4,-1.5 -4,-0.3 3,-1.2 0.874 99.7 61.2 -62.4 -39.2 -8.5 16.3 87.7 66 68 A Q H <4 S+ 0 0 53 -3,-0.7 -64,-2.3 1,-0.3 -63,-0.3 0.742 94.0 65.1 -62.4 -25.0 -10.3 18.9 85.5 67 69 A V H << S+ 0 0 10 -3,-0.8 -63,-2.5 -4,-0.8 -1,-0.3 0.822 109.0 38.3 -65.6 -31.9 -9.5 16.8 82.4 68 70 A F H << S+ 0 0 5 -3,-1.2 2,-0.3 -4,-0.6 -62,-0.3 0.704 129.3 19.3 -96.0 -20.0 -11.7 14.0 83.8 69 71 A K S >< S- 0 0 75 -4,-1.5 3,-1.3 -64,-0.1 -67,-0.4 -0.948 75.0-114.1-158.5 141.5 -14.4 16.3 85.2 70 72 A A T 3 S+ 0 0 60 -69,-0.4 3,-0.1 -2,-0.3 -3,-0.1 -0.369 100.7 14.7 -64.8 131.3 -15.8 19.8 85.0 71 73 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.3 -2,-0.1 -5,-0.1 0.560 90.0 156.3 78.1 8.1 -15.4 22.0 88.0 72 74 A A < - 0 0 17 -3,-1.3 -1,-0.2 -6,-0.1 2,-0.1 -0.211 46.5-102.0 -61.8 157.7 -12.9 19.6 89.5 73 75 A R - 0 0 48 -60,-0.1 -8,-0.3 -3,-0.1 -7,-0.2 -0.474 32.1-110.8 -79.6 151.5 -10.4 20.9 92.1 74 76 A A - 0 0 40 -2,-0.1 -11,-0.2 -9,-0.1 2,-0.1 -0.533 41.3-101.5 -72.8 152.3 -6.8 21.7 91.2 75 77 A L - 0 0 0 -13,-3.0 -1,-0.1 -14,-0.1 -56,-0.1 -0.468 41.1-109.4 -68.0 143.8 -4.3 19.4 92.8 76 78 A T > - 0 0 30 -2,-0.1 4,-2.9 1,-0.1 5,-0.3 -0.330 30.0-106.5 -69.4 163.6 -2.6 20.9 95.8 77 79 A D H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.901 123.0 50.6 -55.1 -40.5 1.1 21.8 95.4 78 80 A A H > S+ 0 0 65 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.883 111.4 48.2 -69.1 -34.8 2.1 18.8 97.6 79 81 A E H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.952 111.9 48.0 -64.0 -50.7 -0.1 16.5 95.4 80 82 A T H X S+ 0 0 8 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.897 111.0 53.8 -57.4 -40.6 1.3 17.9 92.2 81 83 A K H X S+ 0 0 126 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.894 110.1 45.0 -59.0 -44.3 4.8 17.4 93.7 82 84 A A H X S+ 0 0 61 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.847 113.6 48.8 -73.9 -36.1 4.3 13.8 94.6 83 85 A F H X S+ 0 0 4 -4,-2.3 4,-1.9 2,-0.2 5,-0.2 0.920 111.5 49.8 -71.8 -45.3 2.7 12.8 91.3 84 86 A L H X S+ 0 0 13 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.948 109.8 51.3 -56.0 -48.2 5.5 14.6 89.3 85 87 A K H < S+ 0 0 174 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.886 109.7 50.3 -58.9 -37.4 8.2 12.8 91.3 86 88 A A H < S+ 0 0 49 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.892 118.8 36.3 -68.6 -39.9 6.6 9.4 90.7 87 89 A G H < S+ 0 0 8 -4,-1.9 2,-1.4 -3,-0.1 9,-0.2 0.734 98.1 81.2 -86.0 -27.7 6.3 9.9 86.9 88 90 A D < + 0 0 23 -4,-2.8 -1,-0.1 -5,-0.2 7,-0.1 -0.594 46.2 157.7 -88.1 86.6 9.5 11.8 86.2 89 91 A S S S+ 0 0 105 -2,-1.4 -1,-0.2 1,-0.2 6,-0.1 0.860 72.7 51.2 -79.1 -34.2 12.2 9.1 86.0 90 92 A D S S- 0 0 106 4,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.614 105.1-131.2 -84.2 -7.4 14.8 11.0 83.9 91 93 A G + 0 0 55 3,-0.2 -2,-0.1 -3,-0.1 4,-0.1 0.682 66.8 129.8 77.5 22.3 14.5 13.9 86.3 92 94 A D S S- 0 0 88 2,-0.3 3,-0.1 1,-0.0 -1,-0.1 0.431 82.4-108.3 -84.4 0.2 14.0 16.9 84.0 93 95 A G S S+ 0 0 24 1,-0.3 -35,-0.5 -5,-0.1 2,-0.3 0.660 89.4 90.6 81.1 17.1 11.0 17.9 86.1 94 96 A A E S-A 57 0A 9 -37,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.951 73.5-121.4-139.7 163.2 8.6 16.9 83.3 95 97 A I E -A 56 0A 0 -39,-2.6 -39,-2.7 -2,-0.3 2,-0.1 -0.927 27.8-161.9-106.6 114.8 6.6 13.9 82.2 96 98 A G > - 0 0 3 -2,-0.6 4,-3.3 -41,-0.2 3,-0.4 -0.470 37.2 -98.4 -89.7 166.4 7.3 12.7 78.6 97 99 A V H > S+ 0 0 5 -43,-0.4 4,-2.3 1,-0.3 5,-0.1 0.788 126.7 47.8 -56.5 -33.6 5.0 10.4 76.6 98 100 A E H > S+ 0 0 94 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.841 112.3 48.6 -73.0 -36.9 7.0 7.4 77.6 99 101 A E H > S+ 0 0 15 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.870 110.7 53.1 -71.6 -38.4 7.0 8.4 81.2 100 102 A W H X S+ 0 0 1 -4,-3.3 4,-2.0 2,-0.2 3,-0.3 0.976 107.4 49.6 -53.5 -59.3 3.2 8.9 80.9 101 103 A V H X S+ 0 0 50 -4,-2.3 4,-0.5 1,-0.3 -2,-0.2 0.835 113.5 47.3 -56.2 -33.8 2.7 5.4 79.5 102 104 A A H >< S+ 0 0 60 -4,-1.6 3,-0.8 1,-0.2 -1,-0.3 0.911 111.0 51.5 -69.0 -41.1 4.7 4.0 82.4 103 105 A L H 3< S+ 0 0 8 -4,-2.2 -2,-0.2 -3,-0.3 -1,-0.2 0.742 100.9 60.4 -70.3 -33.6 2.9 6.0 85.0 104 106 A V H 3< S+ 0 0 3 -4,-2.0 -70,-0.5 -5,-0.2 -1,-0.3 0.753 86.3 104.4 -65.6 -26.6 -0.6 5.0 83.8 105 107 A K << 0 0 119 -3,-0.8 -77,-0.1 -4,-0.5 -76,-0.1 -0.138 360.0 360.0 -69.2 153.2 0.2 1.3 84.5 106 108 A A 0 0 143 -78,-0.1 -1,-0.1 -77,-0.0 -77,-0.1 0.878 360.0 360.0 -63.9 360.0 -1.1 -0.6 87.5 107 !* 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 0.0 108 1 B A 0 0 80 0, 0.0 -11,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.3 6.8 7.2 70.4 109 2 B F > + 0 0 51 47,-0.1 3,-2.0 2,-0.1 4,-0.4 0.205 360.0 146.7 -84.4 11.6 8.0 10.7 69.6 110 3 B A T 3 S- 0 0 29 1,-0.3 69,-0.2 2,-0.1 66,-0.2 -0.399 82.6 -21.9 -60.1 121.2 5.6 10.7 66.7 111 4 B G T > S+ 0 0 17 64,-3.1 3,-2.0 -2,-0.2 -1,-0.3 0.619 90.1 143.6 48.2 26.8 4.3 14.2 66.2 112 5 B I T < S+ 0 0 24 -3,-2.0 65,-0.1 63,-0.3 -2,-0.1 0.886 81.5 35.3 -56.3 -37.9 5.3 15.0 69.8 113 6 B L T 3 S+ 0 0 21 63,-2.3 -1,-0.3 -4,-0.4 64,-0.1 0.061 90.8 141.3-104.5 24.6 6.3 18.4 68.5 114 7 B A < + 0 0 42 -3,-2.0 2,-0.3 62,-0.2 64,-0.1 -0.340 14.8 148.3 -67.2 149.5 3.5 18.8 65.9 115 8 B D > - 0 0 80 62,-0.5 4,-2.3 1,-0.1 5,-0.3 -0.925 60.0 -81.3-161.6-179.6 1.8 22.1 65.3 116 9 B A H > S+ 0 0 84 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.943 124.8 38.9 -56.7 -54.0 0.2 24.1 62.3 117 10 B D H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.950 118.3 44.9 -64.2 -52.5 3.5 25.4 60.9 118 11 B b H > S+ 0 0 1 22,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.885 113.1 51.9 -67.3 -33.2 5.7 22.4 61.4 119 12 B A H X S+ 0 0 26 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.886 110.1 48.9 -64.2 -38.6 3.0 20.0 60.1 120 13 B A H X S+ 0 0 50 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.867 108.4 54.6 -68.5 -30.8 2.7 22.3 57.0 121 14 B A H < S+ 0 0 6 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.863 110.2 46.7 -67.8 -34.7 6.5 22.1 56.7 122 15 B V H >< S+ 0 0 9 -4,-1.8 3,-1.3 -5,-0.2 -2,-0.2 0.917 110.2 51.5 -73.5 -42.3 6.3 18.3 56.7 123 16 B K H >< S+ 0 0 119 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.918 101.1 63.6 -59.3 -40.0 3.5 18.3 54.2 124 17 B A T 3< S+ 0 0 87 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.688 108.9 40.2 -62.1 -17.6 5.5 20.5 51.9 125 18 B C T < S+ 0 0 7 -3,-1.3 5,-0.3 -4,-0.4 -1,-0.3 -0.159 73.3 131.9-122.8 41.1 8.2 17.8 51.5 126 19 B E < + 0 0 127 -3,-1.6 2,-0.2 4,-0.1 -1,-0.1 0.866 56.2 73.3 -62.6 -39.1 6.0 14.7 51.3 127 20 B A S > S- 0 0 68 -4,-0.2 3,-1.1 -3,-0.2 4,-0.2 -0.571 98.6 -94.4 -81.1 142.7 7.8 13.3 48.3 128 21 B A T 3 S+ 0 0 63 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.267 107.0 18.1 -60.0 135.5 11.2 11.7 48.7 129 22 B D T 3 S+ 0 0 104 -4,-0.1 -1,-0.2 -3,-0.1 -3,-0.1 0.729 94.8 102.9 74.6 26.7 14.2 14.0 48.1 130 23 B S < + 0 0 60 -3,-1.1 2,-0.3 -5,-0.3 -2,-0.1 0.416 56.4 103.5-112.1 -2.4 12.1 17.2 48.3 131 24 B F + 0 0 21 -6,-0.2 2,-0.3 -4,-0.2 -9,-0.0 -0.605 38.2 170.2 -83.7 139.9 13.4 18.0 51.8 132 25 B S > - 0 0 68 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.959 30.4-138.4-144.1 129.7 15.9 20.7 52.7 133 26 B Y H > S+ 0 0 26 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.850 99.4 54.0 -58.0 -37.9 16.6 21.6 56.3 134 27 B K H > S+ 0 0 129 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.956 112.9 42.7 -66.0 -46.1 16.8 25.4 55.8 135 28 B A H > S+ 0 0 63 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.830 113.9 54.3 -65.7 -34.4 13.5 25.6 54.0 136 29 B F H >X S+ 0 0 8 -4,-2.3 4,-2.4 1,-0.2 3,-1.1 0.986 109.4 44.7 -59.7 -59.0 12.0 23.3 56.6 137 30 B F H 3X>S+ 0 0 4 -4,-2.9 4,-1.9 1,-0.3 6,-0.9 0.803 105.5 62.5 -63.6 -27.3 13.0 25.3 59.6 138 31 B A H 3<5S+ 0 0 70 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.870 114.1 33.8 -64.3 -34.9 11.9 28.6 58.0 139 32 B K H <<5S+ 0 0 96 -3,-1.1 -2,-0.2 -4,-1.0 -1,-0.2 0.870 116.0 53.0 -89.3 -40.6 8.3 27.3 57.9 140 33 B b H <5S- 0 0 5 -4,-2.4 -22,-0.4 -5,-0.2 -2,-0.2 0.809 102.5-135.3 -62.5 -33.7 8.2 25.2 61.0 141 34 B G T <5 + 0 0 23 -4,-1.9 -3,-0.2 -5,-0.3 -4,-0.1 0.690 65.2 130.6 85.0 20.2 9.5 28.3 62.8 142 35 B L > < + 0 0 16 -5,-0.7 3,-2.0 1,-0.2 -4,-0.1 0.843 69.7 64.3 -70.5 -30.7 12.1 26.6 64.9 143 36 B S T 3 S+ 0 0 38 -6,-0.9 -1,-0.2 1,-0.3 -5,-0.1 0.906 104.9 44.5 -55.1 -42.1 14.5 29.3 63.7 144 37 B G T 3 S+ 0 0 56 -7,-0.3 -1,-0.3 -6,-0.1 2,-0.2 0.101 96.8 111.4 -91.0 23.4 12.4 31.8 65.6 145 38 B K S < S- 0 0 81 -3,-2.0 -3,-0.1 1,-0.1 -4,-0.0 -0.566 75.0 -94.0 -97.2 162.8 12.1 29.6 68.6 146 39 B S > - 0 0 58 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.282 33.5-110.8 -72.6 158.5 13.7 30.1 72.1 147 40 B A H > S+ 0 0 57 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.835 122.9 48.6 -56.6 -30.9 17.1 28.7 73.0 148 41 B D H >> S+ 0 0 119 2,-0.2 4,-2.4 1,-0.2 3,-0.5 0.926 108.1 50.4 -74.8 -47.1 15.1 26.4 75.4 149 42 B D H 3> S+ 0 0 58 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.757 110.3 54.4 -58.9 -26.4 12.6 25.4 72.8 150 43 B I H 3X S+ 0 0 5 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.805 108.3 46.1 -77.3 -34.2 15.6 24.6 70.6 151 44 B K H < + 0 0 3 -4,-2.7 3,-2.0 1,-0.2 -1,-0.2 -0.397 66.0 173.0 -70.9 66.8 18.5 12.6 70.5 159 52 B Q T 3 + 0 0 70 -2,-2.9 -1,-0.2 1,-0.3 -2,-0.1 0.708 69.1 47.2 -57.8 -20.3 16.4 9.5 71.1 160 53 B D T 3 S- 0 0 92 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.359 103.0-121.7-109.5 11.1 19.2 7.5 72.7 161 54 B K < + 0 0 143 -3,-2.0 -2,-0.1 -6,-0.2 4,-0.1 0.869 66.5 137.4 59.6 34.1 20.7 10.1 75.1 162 55 B S S S- 0 0 49 2,-0.4 -1,-0.1 -4,-0.0 3,-0.1 0.556 71.9-118.6 -87.6 -6.1 24.1 10.0 73.5 163 56 B G S S+ 0 0 38 1,-0.2 43,-0.4 -5,-0.2 2,-0.3 0.245 89.4 77.3 88.9 -11.9 24.3 13.8 73.8 164 57 B F S S- 0 0 79 41,-0.1 2,-0.6 42,-0.1 -2,-0.4 -0.904 80.8-121.9-128.7 152.9 24.6 13.9 70.0 165 58 B I B -B 204 0B 0 39,-3.9 39,-3.0 -2,-0.3 2,-0.2 -0.882 33.7-161.3 -95.7 118.9 22.2 13.6 67.1 166 59 B E >> - 0 0 47 -2,-0.6 4,-2.0 37,-0.2 3,-1.1 -0.564 33.2-100.6 -96.3 164.6 23.3 10.8 64.8 167 60 B E H 3> S+ 0 0 102 35,-0.5 4,-2.1 1,-0.3 5,-0.1 0.826 120.3 58.0 -50.4 -40.8 22.2 10.2 61.2 168 61 B D H 3> S+ 0 0 102 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.840 108.5 45.5 -64.0 -33.4 19.7 7.5 62.2 169 62 B E H X4 S+ 0 0 2 -3,-1.1 3,-0.6 2,-0.2 -1,-0.2 0.876 109.3 55.7 -77.5 -34.9 17.9 10.0 64.4 170 63 B L H >< S+ 0 0 2 -4,-2.0 3,-2.2 1,-0.2 4,-0.3 0.894 100.2 60.4 -57.8 -41.8 18.1 12.7 61.6 171 64 B K H 3< S+ 0 0 58 -4,-2.1 13,-2.5 1,-0.3 3,-0.3 0.804 105.4 47.2 -60.6 -30.6 16.3 10.2 59.3 172 65 B L T XX S+ 0 0 55 -4,-0.7 3,-0.8 -3,-0.6 4,-0.5 0.265 80.7 114.0 -93.5 11.9 13.3 10.2 61.6 173 66 B F H X> + 0 0 0 -3,-2.2 3,-1.6 1,-0.3 4,-0.7 0.859 69.7 53.6 -51.7 -48.0 13.3 14.0 61.9 174 67 B L H >> S+ 0 0 1 -3,-0.3 4,-1.7 8,-0.3 3,-0.8 0.843 99.9 62.6 -62.6 -31.9 10.0 14.6 60.1 175 68 B Q H <4 S+ 0 0 62 -3,-0.8 -64,-3.1 1,-0.3 -63,-0.3 0.657 94.6 63.2 -69.0 -15.9 8.1 12.1 62.4 176 69 B V H << S+ 0 0 4 -3,-1.6 -63,-2.3 -4,-0.5 -1,-0.3 0.843 112.5 34.0 -71.4 -36.3 9.0 14.4 65.4 177 70 B F H << S+ 0 0 2 -3,-0.8 -62,-0.5 -4,-0.7 2,-0.3 0.612 129.7 29.7 -99.1 -15.3 7.0 17.2 63.8 178 71 B K S >< S- 0 0 60 -4,-1.7 3,-1.9 -64,-0.1 -1,-0.3 -0.886 72.2-134.4-152.3 124.3 4.2 15.1 62.3 179 72 B A T 3 S+ 0 0 65 -2,-0.3 -1,-0.1 1,-0.3 -67,-0.1 0.771 100.6 32.7 -37.5 -58.5 2.9 11.7 63.4 180 73 B G T 3 S+ 0 0 70 -70,-0.1 -1,-0.3 -6,-0.1 -5,-0.1 0.073 87.7 144.3 -97.7 32.3 2.7 9.8 60.1 181 74 B A < - 0 0 14 -3,-1.9 2,-0.1 -7,-0.2 -6,-0.1 -0.144 48.2-111.3 -75.0 164.3 5.7 11.3 58.4 182 75 B R - 0 0 53 -60,-0.1 -8,-0.3 1,-0.1 -7,-0.2 -0.451 31.7-103.9 -82.6 160.4 8.2 9.6 56.1 183 76 B A - 0 0 36 -2,-0.1 -11,-0.2 -9,-0.1 2,-0.1 -0.612 41.9-105.2 -73.9 149.5 11.8 8.9 56.9 184 77 B L - 0 0 0 -13,-2.5 -1,-0.1 -2,-0.2 -56,-0.1 -0.471 43.4-107.3 -64.0 144.5 14.3 11.2 55.2 185 78 B T > - 0 0 29 -2,-0.1 4,-2.8 1,-0.1 5,-0.3 -0.302 28.7-105.7 -70.9 166.3 16.0 9.3 52.3 186 79 B D H > S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.925 124.6 52.3 -53.5 -42.8 19.7 8.3 52.8 187 80 B A H > S+ 0 0 51 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.942 111.1 45.4 -59.9 -46.4 20.5 11.1 50.4 188 81 B E H >> S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 3,-0.6 0.944 110.6 52.6 -63.3 -51.2 18.6 13.7 52.4 189 82 B T H 3X S+ 0 0 11 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.853 108.6 52.8 -49.8 -39.8 19.9 12.5 55.7 190 83 B K H 3X S+ 0 0 126 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.823 109.7 44.8 -74.9 -30.8 23.5 12.9 54.4 191 84 B A H < + 0 0 22 -4,-3.0 3,-0.7 1,-0.2 5,-0.2 -0.482 48.4 159.5 -82.0 73.7 28.3 18.6 61.2 198 91 B S T 3 S+ 0 0 102 -2,-1.9 -1,-0.2 1,-0.2 6,-0.1 0.847 72.9 50.0 -68.7 -33.4 30.9 21.4 61.2 199 92 B D T 3 S- 0 0 92 -3,-0.2 -1,-0.2 4,-0.2 -2,-0.1 0.602 105.7-132.6 -85.0 -6.4 33.5 19.7 63.4 200 93 B G < + 0 0 55 -3,-0.7 -2,-0.1 3,-0.2 4,-0.1 0.710 63.6 132.9 74.7 22.6 33.1 16.7 61.1 201 94 B D S S- 0 0 85 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.350 78.9-107.3 -88.6 5.0 32.7 13.9 63.8 202 95 B G S S+ 0 0 33 1,-0.3 -35,-0.5 -5,-0.2 2,-0.3 0.394 91.3 81.5 88.0 -2.6 29.8 12.4 61.9 203 96 B A S S- 0 0 10 -37,-0.1 2,-0.6 -36,-0.1 -1,-0.3 -0.784 75.8-121.2-126.4 171.9 27.2 13.6 64.5 204 97 B I B -B 165 0B 2 -39,-3.0 -39,-3.9 -2,-0.3 -7,-0.1 -0.949 32.3-170.8-114.2 110.9 25.3 16.7 65.3 205 98 B G > - 0 0 2 -2,-0.6 4,-1.9 -41,-0.2 -41,-0.1 -0.221 40.8 -87.5 -86.9-175.4 25.9 18.0 68.8 206 99 B V H > S+ 0 0 68 -43,-0.4 4,-1.9 1,-0.2 5,-0.2 0.841 123.4 48.2 -65.1 -39.7 24.1 20.8 70.7 207 100 B E H > S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.870 112.7 48.9 -72.4 -35.7 26.1 23.8 69.4 208 101 B E H > S+ 0 0 5 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.873 108.7 55.2 -67.8 -40.4 25.9 22.6 65.8 209 102 B W H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 3,-0.4 0.961 108.1 46.1 -56.8 -57.0 22.1 22.1 66.1 210 103 B V H X S+ 0 0 46 -4,-1.9 4,-1.9 1,-0.3 -1,-0.2 0.876 110.6 53.7 -59.3 -38.4 21.4 25.6 67.3 211 104 B A H < S+ 0 0 57 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.880 110.8 47.6 -60.9 -38.5 23.6 27.1 64.6 212 105 B L H >< S+ 0 0 11 -4,-1.8 3,-0.6 -3,-0.4 -2,-0.2 0.829 109.9 50.7 -72.8 -35.9 21.6 25.1 62.1 213 106 B V H 3< S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.833 130.4 20.3 -71.2 -30.2 18.2 26.2 63.5 214 107 B K T 3< 0 0 129 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 -0.534 360.0 360.0-137.4 65.5 19.4 29.8 63.3 215 108 B A < 0 0 134 -3,-0.6 -3,-0.1 -2,-0.1 -4,-0.1 0.504 360.0 360.0 -65.5 360.0 22.3 30.0 60.9