==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 26-JUN-02 1M31 . COMPND 2 MOLECULE: PLACENTAL CALCIUM-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.M.VALLELY,R.R.RUSTANDI,K.C.ELLIS,O.VARLAMOVA,A.R.BRESNICK, . 202 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 68.3 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 3.0 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 . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 49.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 2 0 0 0 0 0 0 4 0 0 2 0 0 0 0 0 2 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 . 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 M 0 0 192 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 24.2 79.6 3.0 -19.8 2 2 A A + 0 0 105 1,-0.3 0, 0.0 2,-0.1 0, 0.0 0.898 360.0 21.1 -69.1 -38.4 75.9 3.4 -18.9 3 3 A C >> + 0 0 38 1,-0.1 3,-0.8 2,-0.0 4,-0.5 -0.642 65.7 159.6-131.7 78.7 76.4 1.8 -15.4 4 4 A P H 3> + 0 0 36 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.721 67.9 76.8 -71.9 -18.9 80.1 2.0 -14.3 5 5 A L H 3> S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.871 87.1 61.7 -60.1 -33.5 79.0 1.6 -10.7 6 6 A E H <> S+ 0 0 32 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.943 108.3 40.3 -59.9 -46.4 78.5 -2.1 -11.4 7 7 A K H X S+ 0 0 104 -4,-0.5 4,-3.9 -3,-0.3 5,-0.2 0.926 112.1 55.8 -70.5 -41.2 82.2 -2.6 -12.3 8 8 A A H X S+ 0 0 10 -4,-2.5 4,-2.4 2,-0.3 5,-0.3 0.953 107.9 48.9 -58.4 -40.5 83.3 -0.4 -9.5 9 9 A L H X S+ 0 0 27 -4,-2.9 4,-2.1 1,-0.2 -1,-0.3 0.942 113.0 48.3 -61.0 -39.8 81.4 -2.7 -7.2 10 10 A D H X S+ 0 0 90 -4,-1.9 4,-4.8 -5,-0.3 5,-0.4 0.894 105.9 57.9 -66.4 -36.8 83.3 -5.4 -9.1 11 11 A V H X S+ 0 0 28 -4,-3.9 4,-2.3 2,-0.2 5,-0.4 0.926 108.6 45.1 -60.6 -42.0 86.5 -3.5 -8.5 12 12 A M H X S+ 0 0 18 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.916 122.1 38.1 -68.6 -40.1 86.0 -3.6 -4.8 13 13 A V H X S+ 0 0 10 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.898 118.3 48.3 -77.7 -41.2 85.1 -7.3 -4.9 14 14 A S H X S+ 0 0 52 -4,-4.8 4,-1.8 -5,-0.2 -3,-0.2 0.959 114.5 44.9 -66.8 -47.0 87.6 -8.3 -7.6 15 15 A T H X S+ 0 0 20 -4,-2.3 4,-1.6 -5,-0.4 -1,-0.2 0.940 113.1 52.6 -61.5 -42.3 90.5 -6.5 -5.9 16 16 A F H X S+ 0 0 22 -4,-1.4 4,-1.8 -5,-0.4 -1,-0.2 0.908 106.2 53.6 -59.7 -40.3 89.3 -8.1 -2.6 17 17 A H H X S+ 0 0 92 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.893 102.6 58.3 -62.6 -38.7 89.4 -11.5 -4.2 18 18 A K H >X S+ 0 0 166 -4,-1.8 3,-0.8 1,-0.2 4,-0.6 0.918 105.5 48.7 -60.2 -41.6 93.0 -11.0 -5.3 19 19 A Y H >X S+ 0 0 27 -4,-1.6 3,-1.6 1,-0.3 4,-0.9 0.922 103.7 59.8 -66.1 -40.0 94.1 -10.5 -1.7 20 20 A S H 3X S+ 0 0 3 -4,-1.8 4,-0.7 1,-0.3 -1,-0.3 0.751 94.5 68.1 -59.9 -18.4 92.2 -13.7 -0.7 21 21 A G H << S+ 0 0 57 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.848 90.3 60.9 -71.4 -30.2 94.5 -15.4 -3.2 22 22 A K H << S+ 0 0 104 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.954 124.0 16.8 -61.5 -47.6 97.5 -14.7 -0.9 23 23 A E H < S- 0 0 128 -4,-0.9 -2,-0.1 2,-0.1 -3,-0.1 0.913 95.8-126.2 -89.6 -75.2 96.0 -16.7 2.0 24 24 A G S < S+ 0 0 44 -4,-0.7 2,-0.7 1,-0.3 -4,-0.1 0.035 75.2 100.7 151.1 -31.9 93.2 -18.9 0.6 25 25 A D + 0 0 33 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 -0.713 36.6 173.0 -85.2 114.1 90.1 -18.1 2.7 26 26 A K + 0 0 87 -2,-0.7 -1,-0.2 1,-0.2 3,-0.1 0.399 67.4 78.3 -99.2 1.9 87.8 -15.7 0.7 27 27 A F S S+ 0 0 155 1,-0.2 2,-0.3 -7,-0.1 45,-0.2 0.618 106.5 13.7 -85.6 -10.4 85.0 -15.9 3.3 28 28 A K - 0 0 82 -3,-0.3 2,-0.3 43,-0.1 -1,-0.2 -0.998 61.7-147.0-159.6 158.3 86.8 -13.5 5.6 29 29 A L E -A 70 0A 14 41,-1.6 41,-3.1 -2,-0.3 2,-0.3 -0.952 25.0-120.1-128.7 146.8 89.7 -11.0 5.9 30 30 A N E >> -A 69 0A 60 -2,-0.3 3,-0.9 39,-0.2 4,-0.8 -0.680 18.2-127.7 -88.5 140.2 91.9 -10.3 8.9 31 31 A K H >> S+ 0 0 13 37,-0.7 3,-1.0 -2,-0.3 4,-1.0 0.858 110.8 62.9 -56.2 -31.0 92.0 -6.7 10.3 32 32 A S H >> S+ 0 0 75 1,-0.3 4,-1.8 36,-0.3 3,-1.1 0.941 95.1 59.5 -61.7 -38.6 95.8 -6.8 10.0 33 33 A E H <>>S+ 0 0 42 -3,-0.9 4,-4.5 1,-0.3 5,-0.6 0.812 91.2 70.6 -60.1 -21.8 95.3 -7.2 6.3 34 34 A L H > S- 0 0 73 0, 0.0 4,-2.0 0, 0.0 3,-1.0 0.823 76.2 -14.9 -77.2-106.3 100.2 3.2 -0.8 44 44 A S H 3> S+ 0 0 75 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.927 123.3 75.4 -68.1 -42.5 101.5 6.8 -1.3 45 45 A F H 34 S+ 0 0 142 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.647 116.4 22.4 -45.6 -10.3 98.6 7.8 -3.5 46 46 A L H X4 S+ 0 0 38 -3,-1.0 3,-0.5 -7,-0.1 4,-0.3 0.626 131.9 37.5-121.9 -63.3 96.7 7.9 -0.2 47 47 A G H 3< S+ 0 0 33 -4,-2.0 -2,-0.2 -5,-0.4 -3,-0.1 0.086 82.1 130.1 -79.0 28.7 99.2 8.3 2.6 48 48 A K T 3< S- 0 0 142 -4,-1.0 -1,-0.2 1,-0.1 -3,-0.1 0.962 92.0 -69.9 -48.6 -58.9 101.0 10.6 0.2 49 49 A R S X S+ 0 0 189 -3,-0.5 3,-0.7 1,-0.2 2,-0.4 0.270 101.6 109.1-173.4 -21.7 101.3 13.4 2.8 50 50 A T T 3 S- 0 0 103 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 -0.569 99.1 -11.4 -75.6 130.0 97.8 14.8 3.5 51 51 A D T >> S+ 0 0 55 -2,-0.4 3,-1.1 1,-0.1 4,-0.7 0.950 74.8 175.3 48.2 57.1 96.4 13.9 6.9 52 52 A E H X> S+ 0 0 118 -3,-0.7 4,-1.2 1,-0.3 3,-1.0 0.892 73.5 65.2 -60.7 -37.0 99.1 11.3 7.6 53 53 A A H 3> S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.831 89.6 68.0 -57.0 -28.4 97.7 10.8 11.1 54 54 A A H <> S+ 0 0 3 -3,-1.1 4,-2.5 1,-0.2 5,-0.3 0.929 95.9 52.6 -59.9 -41.5 94.6 9.3 9.5 55 55 A F H < S+ 0 0 37 -4,-1.8 3,-2.8 1,-0.2 4,-0.4 0.927 97.1 54.3 -67.5 -38.7 91.6 1.2 14.6 62 62 A L H 3< S+ 0 0 25 -4,-1.4 5,-0.4 1,-0.3 -1,-0.2 0.888 112.7 44.7 -60.2 -31.5 93.1 -2.3 14.3 63 63 A D T 3< S+ 0 0 120 -4,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.136 88.0 112.6 -94.2 18.6 94.4 -1.5 17.8 64 64 A S S < S- 0 0 79 -3,-2.8 -2,-0.1 -5,-0.1 -1,-0.1 0.978 94.8 -66.6 -56.1 -80.9 90.9 -0.1 18.7 65 65 A N S S+ 0 0 150 -4,-0.4 2,-0.4 -3,-0.1 -3,-0.0 0.367 111.4 1.1-139.3 -75.8 89.6 -2.7 21.2 66 66 A R S S+ 0 0 214 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.698 73.8 164.7-125.5 79.6 88.9 -6.3 20.0 67 67 A D + 0 0 51 -5,-0.4 3,-0.1 -2,-0.4 -5,-0.0 -0.774 17.0 127.3 -96.7 138.2 89.8 -6.4 16.3 68 68 A N + 0 0 106 1,-0.5 -37,-0.7 -2,-0.4 2,-0.3 0.404 60.2 35.5-155.4 -46.6 90.2 -9.8 14.6 69 69 A E E -A 30 0A 58 -39,-0.2 2,-0.6 -38,-0.1 -1,-0.5 -0.880 57.1-143.5-124.7 157.1 88.1 -10.4 11.5 70 70 A V E -A 29 0A 5 -41,-3.1 -41,-1.6 -2,-0.3 2,-0.1 -0.949 17.0-162.5-118.9 112.2 87.0 -8.2 8.5 71 71 A D > - 0 0 72 -2,-0.6 4,-2.6 -43,-0.2 5,-0.3 -0.440 41.3 -99.1 -86.1 168.8 83.5 -9.0 7.2 72 72 A F H > S+ 0 0 26 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.931 130.3 47.6 -54.3 -39.2 82.5 -7.7 3.8 73 73 A Q H > S+ 0 0 54 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.895 107.7 53.6 -69.9 -40.0 80.8 -4.9 5.7 74 74 A E H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.942 108.2 49.6 -65.2 -40.7 83.8 -4.2 7.9 75 75 A Y H X S+ 0 0 11 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.941 114.4 46.2 -61.4 -40.3 86.1 -3.8 5.0 76 76 A C H X S+ 0 0 2 -4,-1.6 4,-4.3 -5,-0.3 5,-0.3 0.906 108.4 55.1 -68.2 -39.9 83.6 -1.4 3.5 77 77 A V H X S+ 0 0 53 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.954 112.7 43.5 -60.0 -42.1 83.1 0.5 6.7 78 78 A F H X S+ 0 0 20 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.933 116.3 46.8 -68.7 -41.1 86.9 1.0 6.7 79 79 A L H X S+ 0 0 6 -4,-2.9 4,-2.8 -5,-0.3 -2,-0.2 0.931 113.6 48.8 -66.5 -40.0 86.8 1.9 3.0 80 80 A S H X S+ 0 0 10 -4,-4.3 4,-2.8 2,-0.2 5,-0.4 0.940 110.4 50.8 -64.1 -42.3 83.8 4.2 3.6 81 81 A C H X S+ 0 0 17 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.889 110.8 50.3 -62.4 -34.7 85.7 5.8 6.5 82 82 A I H X S+ 0 0 7 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.923 109.5 50.3 -70.2 -40.8 88.6 6.2 4.0 83 83 A A H < S+ 0 0 4 -4,-2.8 4,-0.5 2,-0.2 3,-0.4 0.964 114.1 42.8 -63.0 -49.0 86.3 7.8 1.4 84 84 A M H < S+ 0 0 16 -4,-2.8 3,-0.3 1,-0.3 9,-0.3 0.901 108.4 60.8 -65.4 -33.9 84.8 10.3 3.9 85 85 A M H < S- 0 0 14 -4,-1.9 8,-0.4 -5,-0.4 -1,-0.3 0.886 139.6 -16.1 -60.1 -32.3 88.3 10.8 5.2 86 86 A C S < S+ 0 0 64 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 -0.266 82.8 134.7-172.0 76.1 89.2 12.0 1.7 87 87 A N S S- 0 0 35 -4,-0.5 -3,-0.1 -3,-0.3 -4,-0.1 0.827 93.4 -52.7 -96.0 -38.7 86.7 11.2 -1.2 88 88 A E S S+ 0 0 102 -5,-0.3 -4,-0.1 -4,-0.2 -5,-0.0 0.279 100.1 114.3-172.7 -26.1 86.7 14.7 -2.8 89 89 A F - 0 0 97 1,-0.2 4,-0.2 -5,-0.1 -1,-0.1 -0.338 56.7-145.8 -61.7 140.0 85.9 17.3 -0.2 90 90 A F S S+ 0 0 203 2,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.629 73.9 99.0 -83.4 -11.0 88.8 19.7 0.4 91 91 A E S S- 0 0 150 1,-0.1 2,-1.5 2,-0.0 -3,-0.1 -0.588 83.4-123.1 -76.8 131.6 87.8 19.9 4.0 92 92 A G - 0 0 67 -2,-0.3 -6,-0.1 -6,-0.1 -1,-0.1 -0.566 37.2-177.3 -76.9 93.3 89.9 17.6 6.3 93 93 A F - 0 0 93 -2,-1.5 3,-0.1 -8,-0.4 -4,-0.0 -0.795 17.2-137.8 -93.3 129.3 87.1 15.6 7.9 94 94 A P - 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -40,-0.0 0.268 46.7 -53.9 -66.4-157.0 88.3 13.0 10.5 95 95 A D - 0 0 26 1,-0.1 -13,-0.0 2,-0.1 -14,-0.0 -0.139 60.8 -96.6 -73.0 177.6 86.9 9.5 10.8 96 96 A K S S+ 0 0 63 -3,-0.1 -1,-0.1 2,-0.0 79,-0.0 0.574 95.8 105.9 -75.0 -4.6 83.1 9.0 11.1 97 97 A Q S S- 0 0 131 1,-0.1 -2,-0.1 2,-0.0 4,-0.1 -0.587 74.9-123.1 -75.7 133.1 83.6 8.7 14.9 98 98 A P - 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.193 11.8-137.2 -69.3 167.4 82.3 11.8 16.8 99 99 A R S S- 0 0 244 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.890 90.1 -3.9 -89.8 -79.7 84.7 13.8 19.1 100 100 A K 0 0 186 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.711 360.0 360.0 -88.1 -20.2 82.8 14.8 22.3 101 101 A K 0 0 225 -4,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.262 360.0 360.0 -89.6 360.0 79.5 13.3 21.0 102 !* 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 0.0 103 1 B M 0 0 193 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 23.7 95.5 0.2 -14.1 104 2 B A + 0 0 105 1,-0.3 0, 0.0 2,-0.1 0, 0.0 0.899 360.0 21.3 -68.6 -38.8 97.8 -0.3 -11.1 105 3 B C >> + 0 0 37 1,-0.1 3,-0.8 2,-0.0 4,-0.5 -0.653 65.6 159.8-131.3 79.4 95.1 1.0 -8.7 106 4 B P H 3> + 0 0 36 0, 0.0 4,-2.5 0, 0.0 3,-0.2 0.718 67.9 76.8 -72.3 -19.1 91.6 0.8 -10.2 107 5 B L H 3> S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.874 87.0 61.4 -60.1 -34.3 90.1 1.1 -6.7 108 6 B E H <> S+ 0 0 32 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.943 108.6 40.3 -59.8 -46.3 90.8 4.8 -6.7 109 7 B K H X S+ 0 0 107 -4,-0.5 4,-4.0 -3,-0.2 5,-0.2 0.919 112.0 55.9 -70.7 -40.1 88.6 5.4 -9.7 110 8 B A H X S+ 0 0 8 -4,-2.5 4,-2.4 2,-0.3 5,-0.3 0.956 108.1 48.6 -59.0 -40.7 85.9 3.0 -8.4 111 9 B L H X S+ 0 0 28 -4,-2.9 4,-2.1 1,-0.2 -1,-0.3 0.941 113.0 48.4 -61.1 -39.8 85.9 5.2 -5.3 112 10 B D H X S+ 0 0 88 -4,-1.9 4,-4.8 -5,-0.2 5,-0.4 0.896 105.9 57.8 -66.4 -37.3 85.6 8.0 -7.8 113 11 B V H X S+ 0 0 27 -4,-4.0 4,-2.3 2,-0.2 5,-0.4 0.927 108.7 45.1 -60.2 -42.2 82.8 6.2 -9.6 114 12 B M H X S+ 0 0 17 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.914 122.2 37.9 -68.3 -40.2 80.8 6.0 -6.3 115 13 B V H X S+ 0 0 9 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.898 118.2 48.5 -78.2 -41.0 81.5 9.7 -5.6 116 14 B S H X S+ 0 0 49 -4,-4.8 4,-1.8 -5,-0.2 -3,-0.2 0.955 114.5 44.8 -66.5 -46.7 81.3 10.9 -9.2 117 15 B T H X S+ 0 0 21 -4,-2.3 4,-1.6 -5,-0.4 -1,-0.2 0.941 113.0 52.6 -62.5 -41.6 78.0 9.1 -9.9 118 16 B F H X S+ 0 0 21 -4,-1.4 4,-1.8 -5,-0.4 -1,-0.2 0.913 106.2 53.6 -60.2 -40.6 76.7 10.4 -6.5 119 17 B H H X S+ 0 0 91 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.897 102.7 58.3 -62.1 -38.7 77.7 13.9 -7.5 120 18 B K H >X S+ 0 0 161 -4,-1.8 3,-0.7 1,-0.2 4,-0.6 0.917 105.3 49.0 -60.5 -40.6 75.7 13.6 -10.7 121 19 B Y H >X S+ 0 0 30 -4,-1.6 3,-1.6 1,-0.3 4,-0.9 0.924 103.6 59.8 -66.4 -39.9 72.5 12.9 -8.7 122 20 B S H 3X S+ 0 0 3 -4,-1.8 4,-0.6 1,-0.3 -1,-0.3 0.756 94.3 68.4 -59.8 -18.7 73.2 15.9 -6.5 123 21 B G H << S+ 0 0 58 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.860 90.3 60.6 -70.1 -32.1 73.0 17.9 -9.8 124 22 B K H << S+ 0 0 105 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.951 124.2 16.6 -60.5 -47.5 69.2 17.1 -10.0 125 23 B E H < S- 0 0 129 -4,-0.9 -2,-0.1 2,-0.1 -3,-0.1 0.907 95.5-126.0 -90.2 -76.1 68.5 18.9 -6.7 126 24 B G S < S+ 0 0 43 -4,-0.6 2,-0.7 1,-0.3 -4,-0.1 0.033 75.2 101.0 152.1 -31.9 71.5 21.1 -5.9 127 25 B D + 0 0 34 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 -0.706 36.3 172.6 -84.7 113.5 72.6 20.1 -2.3 128 26 B K + 0 0 86 -2,-0.7 -1,-0.2 1,-0.2 -6,-0.1 0.411 67.4 78.1 -98.4 0.8 75.6 17.8 -2.5 129 27 B F S S+ 0 0 152 1,-0.2 2,-0.3 -7,-0.1 45,-0.2 0.629 106.5 13.6 -84.6 -11.4 76.1 17.8 1.2 130 28 B K - 0 0 83 -3,-0.3 2,-0.3 43,-0.1 -1,-0.2 -0.998 61.9-146.9-158.4 159.3 73.3 15.3 1.8 131 29 B L E -B 172 0B 13 41,-1.6 41,-3.3 -2,-0.3 2,-0.3 -0.949 24.8-120.1-129.1 148.4 71.0 12.8 -0.1 132 30 B N E >> -B 171 0B 59 -2,-0.3 3,-0.9 39,-0.2 4,-0.9 -0.693 17.7-128.2 -90.2 140.2 67.4 11.9 0.7 133 31 B K H >> S+ 0 0 14 37,-0.7 3,-1.1 -2,-0.3 4,-1.0 0.868 110.8 62.8 -55.9 -32.0 66.5 8.3 1.6 134 32 B S H >> S+ 0 0 75 1,-0.3 4,-1.8 36,-0.3 3,-1.1 0.943 95.5 59.3 -60.5 -39.1 63.7 8.5 -1.1 135 33 B E H <>>S+ 0 0 40 -3,-0.9 4,-4.5 1,-0.3 5,-0.6 0.813 91.2 70.6 -60.0 -22.2 66.5 9.1 -3.6 136 34 B L H > S- 0 0 71 0, 0.0 4,-2.0 0, 0.0 3,-1.1 0.811 76.3 -15.4 -77.4-107.3 67.5 -0.7 -12.8 146 44 B S H 3> S+ 0 0 73 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.929 123.6 75.3 -67.4 -42.5 66.9 -4.2 -14.2 147 45 B F H 34 S+ 0 0 138 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.651 116.4 22.5 -45.6 -10.0 70.6 -5.2 -14.1 148 46 B L H X4 S+ 0 0 37 -3,-1.1 3,-0.5 -7,-0.1 4,-0.3 0.626 132.1 37.1-121.8 -63.7 69.9 -5.5 -10.3 149 47 B G H 3< S+ 0 0 35 -4,-2.0 -2,-0.2 -5,-0.4 -3,-0.1 0.082 82.4 130.2 -79.3 29.1 66.2 -6.0 -9.8 150 48 B K T 3< S- 0 0 145 -4,-1.0 -1,-0.2 -5,-0.1 -3,-0.1 0.964 91.8 -69.2 -48.5 -59.6 66.4 -8.1 -13.0 151 49 B R S X S+ 0 0 189 -3,-0.5 3,-0.7 1,-0.2 2,-0.3 0.284 102.0 108.3-172.0 -22.1 64.6 -11.1 -11.4 152 50 B T T 3 S- 0 0 105 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 -0.569 99.2 -10.7 -75.7 130.1 66.9 -12.6 -8.7 153 51 B D T >> S+ 0 0 56 -2,-0.3 3,-1.0 1,-0.1 4,-0.7 0.952 74.4 175.2 48.5 57.7 65.7 -11.9 -5.1 154 52 B E H X> S+ 0 0 114 -3,-0.7 4,-1.3 1,-0.3 3,-0.9 0.895 74.1 64.8 -61.2 -37.2 63.1 -9.3 -6.2 155 53 B A H 3> S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.833 89.9 67.9 -57.1 -28.7 61.9 -9.1 -2.6 156 54 B A H <> S+ 0 0 2 -3,-1.0 4,-2.5 1,-0.2 5,-0.3 0.931 96.3 52.5 -60.2 -41.0 65.4 -7.6 -1.7 157 55 B F H < S+ 0 0 37 -4,-1.7 3,-2.7 1,-0.2 4,-0.4 0.922 96.8 54.6 -68.4 -37.5 64.2 0.1 4.7 164 62 B L H 3< S+ 0 0 23 -4,-1.3 5,-0.4 1,-0.3 -1,-0.2 0.891 112.8 44.4 -60.7 -31.8 63.2 3.6 3.7 165 63 B D T 3< S+ 0 0 116 -4,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.116 88.0 112.6 -94.4 19.5 60.0 2.7 5.5 166 64 B S S < S- 0 0 82 -3,-2.7 -2,-0.1 -5,-0.1 -1,-0.1 0.977 94.8 -66.2 -57.0 -81.0 62.1 1.2 8.3 167 65 B N S S+ 0 0 151 -4,-0.4 2,-0.4 -3,-0.1 -3,-0.0 0.382 111.7 1.0-138.5 -75.5 61.4 3.5 11.2 168 66 B R S S+ 0 0 219 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.679 73.7 164.8-125.3 78.1 62.6 7.2 11.0 169 67 B D + 0 0 51 -5,-0.4 3,-0.1 -2,-0.4 -5,-0.0 -0.763 17.2 127.4 -95.5 137.7 64.3 7.5 7.5 170 68 B N + 0 0 105 1,-0.4 -37,-0.7 -2,-0.4 2,-0.3 0.406 60.2 35.3-154.4 -46.8 65.0 11.1 6.3 171 69 B E E -B 132 0B 60 -39,-0.2 2,-0.6 -38,-0.1 -1,-0.4 -0.890 56.9-143.5-125.4 156.2 68.6 11.8 5.2 172 70 B V E -B 131 0B 7 -41,-3.3 -41,-1.6 -2,-0.3 2,-0.1 -0.943 16.9-162.8-117.5 111.8 71.4 9.8 3.5 173 71 B D > - 0 0 71 -2,-0.6 4,-2.6 -43,-0.2 5,-0.3 -0.449 41.6 -99.3 -85.9 167.7 74.9 10.6 4.8 174 72 B F H > S+ 0 0 25 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.926 130.2 48.0 -53.8 -38.1 77.9 9.5 2.7 175 73 B Q H > S+ 0 0 53 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.898 107.4 53.4 -70.3 -40.3 78.0 6.5 5.1 176 74 B E H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.941 108.3 49.9 -65.0 -40.5 74.3 5.7 4.9 177 75 B Y H X S+ 0 0 14 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.942 114.5 45.8 -61.7 -40.2 74.4 5.6 1.1 178 76 B C H X S+ 0 0 2 -4,-1.6 4,-4.3 -5,-0.3 5,-0.4 0.908 108.4 55.2 -68.6 -39.4 77.5 3.2 1.4 179 77 B V H X S+ 0 0 54 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.955 112.9 43.4 -60.6 -41.7 75.7 1.2 4.1 180 78 B F H X S+ 0 0 20 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.933 116.3 47.0 -68.6 -41.3 72.9 0.7 1.6 181 79 B L H X S+ 0 0 6 -4,-2.9 4,-2.7 -5,-0.3 -2,-0.2 0.931 113.7 48.4 -66.2 -39.9 75.4 0.0 -1.2 182 80 B S H X S+ 0 0 10 -4,-4.3 4,-2.8 2,-0.2 5,-0.4 0.937 110.5 51.0 -65.3 -41.7 77.3 -2.4 1.0 183 81 B C H X S+ 0 0 19 -4,-2.7 4,-1.9 -5,-0.4 -1,-0.2 0.891 110.8 50.1 -62.6 -34.8 74.1 -4.1 1.9 184 82 B I H X S+ 0 0 6 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.920 109.5 50.6 -70.1 -40.2 73.4 -4.3 -1.8 185 83 B A H < S+ 0 0 5 -4,-2.7 3,-0.5 2,-0.2 4,-0.3 0.964 114.0 42.6 -62.7 -50.2 76.8 -5.8 -2.5 186 84 B M H < S+ 0 0 16 -4,-2.8 3,-0.3 1,-0.3 9,-0.3 0.894 108.2 61.2 -64.8 -33.5 76.4 -8.5 0.2 187 85 B M H < S- 0 0 15 -4,-1.9 8,-0.4 -5,-0.4 -1,-0.3 0.883 139.4 -16.3 -60.1 -32.4 72.9 -9.0 -1.1 188 86 B C S < S+ 0 0 62 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 -0.282 82.5 135.1-172.5 77.6 74.6 -9.9 -4.4 189 87 B N S S- 0 0 36 -4,-0.3 -3,-0.1 -3,-0.3 -4,-0.1 0.819 93.1 -52.4 -97.4 -38.7 78.3 -9.0 -5.0 190 88 B E S S+ 0 0 101 -5,-0.3 -4,-0.1 -4,-0.1 -5,-0.0 0.274 100.2 114.4-172.2 -26.4 79.4 -12.3 -6.4 191 89 B F - 0 0 95 1,-0.2 4,-0.2 2,-0.1 -1,-0.1 -0.335 56.6-146.1 -61.5 139.8 78.4 -15.2 -4.0 192 90 B F S S+ 0 0 200 2,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.617 73.9 99.0 -83.4 -10.5 75.9 -17.5 -5.6 193 91 B E S S- 0 0 149 1,-0.1 2,-1.5 2,-0.0 -3,-0.1 -0.604 83.3-123.3 -77.9 130.7 74.3 -18.0 -2.2 194 92 B G - 0 0 70 -2,-0.4 -6,-0.1 -6,-0.1 -1,-0.1 -0.558 37.1-177.3 -75.9 93.7 71.2 -15.8 -1.7 195 93 B F - 0 0 95 -2,-1.5 3,-0.1 -8,-0.4 -4,-0.0 -0.799 17.2-138.1 -93.5 129.1 72.2 -13.9 1.4 196 94 B P - 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -40,-0.0 0.279 46.7 -54.0 -66.3-156.2 69.6 -11.5 2.9 197 95 B D - 0 0 28 1,-0.1 -13,-0.0 2,-0.1 -14,-0.0 -0.148 60.5 -96.4 -74.4 177.5 70.5 -8.0 4.2 198 96 B K S S+ 0 0 64 -3,-0.1 -1,-0.1 2,-0.0 -125,-0.0 0.582 96.0 105.6 -74.3 -5.0 73.1 -7.6 6.9 199 97 B Q S S- 0 0 131 1,-0.1 -2,-0.1 2,-0.0 4,-0.1 -0.585 74.9-123.3 -75.7 132.9 70.3 -7.5 9.5 200 98 B P - 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.190 11.6-137.3 -69.4 167.8 70.2 -10.8 11.6 201 99 B R S S- 0 0 243 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.883 90.2 -3.7 -90.0 -80.1 66.9 -12.9 11.7 202 100 B K 0 0 189 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.721 360.0 360.0 -86.5 -21.7 66.3 -14.1 15.3 203 101 B K 0 0 226 -4,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.249 360.0 360.0 -89.1 360.0 69.6 -12.6 16.5