==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE REGULATOR 15-JUN-07 2QB1 . COMPND 2 MOLECULE: E80-TELSAM DOMAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.NAULI,J.U.BOWIE . 156 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8938.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 66.0 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 . 0 0.0 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 . 7 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 41.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 2 0 0 0 0 2 0 0 2 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 . 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 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 15 A S 0 0 142 0, 0.0 2,-0.7 0, 0.0 124,-0.0 0.000 360.0 360.0 360.0 170.5 -11.0 -5.5 20.6 2 16 A I + 0 0 19 123,-0.0 2,-0.5 2,-0.0 0, 0.0 -0.829 360.0 171.4-110.8 94.6 -12.4 -4.8 17.1 3 17 A A - 0 0 69 -2,-0.7 3,-0.1 1,-0.0 6,-0.0 -0.905 30.4-126.3-111.1 125.6 -11.8 -1.2 16.0 4 18 A L - 0 0 15 -2,-0.5 5,-0.1 1,-0.1 19,-0.0 -0.346 39.9 -95.2 -59.8 141.2 -12.4 0.2 12.6 5 19 A P > - 0 0 27 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.260 42.3-102.6 -58.0 152.9 -9.5 1.9 10.9 6 20 A A G > S+ 0 0 72 1,-0.3 3,-1.2 2,-0.2 -2,-0.1 0.789 117.9 61.4 -47.8 -36.9 -9.6 5.7 11.4 7 21 A H G 3 S+ 0 0 118 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.687 109.2 40.7 -69.2 -19.1 -10.8 6.4 7.8 8 22 A L G < S+ 0 0 0 -3,-2.1 2,-0.4 1,-0.1 -1,-0.2 0.246 74.6 123.4-110.7 12.8 -14.1 4.4 8.4 9 23 A R < + 0 0 179 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.1 0.255 50.0 96.0 -67.1 18.3 -14.9 5.5 11.9 10 24 A L S S- 0 0 80 -2,-0.4 5,-0.1 -3,-0.1 -3,-0.0 -0.744 90.3 -80.6-106.9 158.4 -18.4 6.9 11.0 11 25 A Q > - 0 0 123 -2,-0.3 3,-2.9 1,-0.1 4,-0.3 -0.253 41.6-122.4 -52.2 132.4 -21.8 5.1 11.2 12 26 A P G > S+ 0 0 4 0, 0.0 3,-2.4 0, 0.0 33,-0.2 0.803 108.2 73.5 -50.5 -31.2 -22.3 2.8 8.3 13 27 A I G 3 S+ 0 0 63 1,-0.3 33,-0.5 32,-0.2 34,-0.1 0.827 99.7 48.4 -54.9 -25.5 -25.5 4.7 7.3 14 28 A Y G < S+ 0 0 141 -3,-2.9 -1,-0.3 31,-0.2 2,-0.2 0.416 83.7 118.1 -96.1 1.0 -23.1 7.4 6.2 15 29 A W < - 0 0 3 -3,-2.4 30,-2.3 -4,-0.3 31,-0.5 -0.434 55.4-140.7 -70.0 138.3 -20.7 5.3 4.1 16 30 A S >> - 0 0 54 28,-0.2 4,-2.1 -2,-0.2 3,-1.3 -0.527 37.1 -90.3 -90.7 166.7 -20.4 6.0 0.4 17 31 A R H 3> S+ 0 0 152 1,-0.3 4,-1.6 2,-0.2 26,-0.3 0.819 131.6 48.7 -41.8 -37.2 -20.1 3.4 -2.3 18 32 A D H 3> S+ 0 0 101 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.750 103.5 56.4 -82.0 -26.2 -16.3 3.7 -1.8 19 33 A D H <> S+ 0 0 40 -3,-1.3 4,-2.2 2,-0.2 5,-0.2 0.940 107.1 53.1 -63.6 -44.4 -16.3 3.4 2.0 20 34 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 3,-0.2 0.928 108.7 47.3 -52.8 -53.3 -18.1 0.1 1.4 21 35 A A H X S+ 0 0 21 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.878 113.1 50.6 -56.9 -37.8 -15.3 -1.1 -1.0 22 36 A Q H X S+ 0 0 65 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.785 108.7 50.5 -73.5 -28.7 -12.8 0.1 1.7 23 37 A W H X S+ 0 0 0 -4,-2.2 4,-2.8 -3,-0.2 5,-0.2 0.843 111.0 49.3 -75.5 -35.0 -14.5 -1.8 4.5 24 38 A L H X S+ 0 0 3 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.919 110.3 50.0 -68.9 -42.6 -14.5 -5.0 2.4 25 39 A K H X S+ 0 0 122 -4,-2.1 4,-1.1 -5,-0.2 -2,-0.2 0.882 116.1 44.2 -60.6 -37.3 -10.8 -4.6 1.6 26 40 A W H X S+ 0 0 36 -4,-1.4 4,-3.5 2,-0.2 5,-0.3 0.931 110.4 51.2 -73.9 -51.7 -10.2 -4.1 5.3 27 41 A A H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 6,-0.4 0.864 106.8 57.1 -51.9 -40.3 -12.4 -6.9 6.7 28 42 A E H X>S+ 0 0 55 -4,-1.8 5,-1.1 -5,-0.2 4,-0.9 0.888 116.2 33.7 -62.8 -43.3 -10.7 -9.4 4.2 29 43 A N H <5S+ 0 0 121 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.926 121.4 48.1 -76.1 -49.4 -7.2 -8.6 5.6 30 44 A E H <5S+ 0 0 55 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.884 125.7 28.8 -58.0 -41.5 -8.3 -8.1 9.2 31 45 A F H <5S- 0 0 0 -4,-3.2 92,-2.0 -5,-0.3 95,-0.2 0.486 102.9-120.7-105.1 -2.8 -10.4 -11.3 9.3 32 46 A S T <5 + 0 0 38 -4,-0.9 -3,-0.2 -5,-0.2 -4,-0.2 0.855 53.6 166.9 65.4 42.3 -8.5 -13.5 6.7 33 47 A L < - 0 0 6 -5,-1.1 -1,-0.1 -6,-0.4 89,-0.1 -0.216 41.4 -81.2 -82.6 171.3 -11.6 -13.9 4.5 34 48 A R - 0 0 87 87,-0.3 2,-0.2 1,-0.1 -1,-0.2 -0.234 61.6 -81.7 -63.5 158.1 -11.8 -15.2 1.0 35 49 A P - 0 0 102 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.495 52.4-164.8 -61.5 133.5 -10.9 -12.9 -1.9 36 50 A I - 0 0 18 -2,-0.2 4,-0.1 -3,-0.1 -8,-0.1 -0.979 22.5-117.8-127.8 115.8 -14.0 -10.8 -2.5 37 51 A D > - 0 0 103 -2,-0.5 3,-0.8 1,-0.1 4,-0.2 -0.251 19.4-135.9 -48.7 129.8 -14.4 -8.7 -5.7 38 52 A S G > S+ 0 0 74 1,-0.3 2,-1.0 2,-0.1 3,-0.9 0.898 102.4 61.5 -60.7 -40.9 -14.6 -5.0 -4.8 39 53 A N G 3 S+ 0 0 107 1,-0.2 3,-0.3 3,-0.1 -1,-0.3 -0.076 78.5 98.7 -73.9 35.5 -17.5 -4.5 -7.2 40 54 A T G < S+ 0 0 26 -2,-1.0 2,-0.4 -3,-0.8 -1,-0.2 0.799 85.7 35.8 -93.8 -35.3 -19.6 -7.0 -5.2 41 55 A F S < S- 0 0 4 -3,-0.9 2,-2.4 -4,-0.2 -1,-0.2 -0.675 72.4-179.2-118.6 71.3 -21.6 -4.5 -3.2 42 56 A E + 0 0 105 -2,-0.4 2,-0.3 -3,-0.3 -25,-0.1 -0.477 54.6 78.3 -72.6 75.2 -22.1 -1.7 -5.7 43 57 A M S S- 0 0 28 -2,-2.4 -23,-0.2 -26,-0.3 2,-0.2 -0.965 78.5 -99.6-167.6 170.6 -24.0 0.5 -3.2 44 58 A N >> - 0 0 58 -2,-0.3 4,-3.0 -24,-0.1 3,-0.6 -0.477 45.3 -90.6 -99.6 177.9 -23.5 2.8 -0.2 45 59 A G H 3> S+ 0 0 0 -30,-2.3 4,-1.7 1,-0.3 -31,-0.2 0.817 124.0 58.5 -56.0 -40.6 -23.9 2.1 3.5 46 60 A K H 34 S+ 0 0 132 -33,-0.5 -1,-0.3 -31,-0.5 4,-0.3 0.894 113.5 38.3 -53.7 -45.6 -27.6 3.1 3.5 47 61 A A H X> S+ 0 0 32 -3,-0.6 3,-2.0 1,-0.2 4,-0.9 0.883 108.9 62.3 -77.0 -36.8 -28.2 0.4 0.9 48 62 A L H 3< S+ 0 0 1 -4,-3.0 3,-0.4 1,-0.3 -2,-0.2 0.842 99.0 59.3 -52.5 -34.0 -25.8 -2.0 2.6 49 63 A L T 3< S+ 0 0 63 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.615 97.7 58.2 -73.3 -15.6 -28.2 -1.7 5.6 50 64 A L T <4 S+ 0 0 146 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.761 83.8 99.7 -84.5 -27.7 -31.2 -3.1 3.7 51 65 A L < - 0 0 27 -4,-0.9 2,-0.1 -3,-0.4 3,-0.0 -0.253 66.9-136.1 -61.8 144.2 -29.6 -6.4 2.8 52 66 A T > - 0 0 69 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.397 28.2-102.7 -91.2 173.7 -30.4 -9.5 4.8 53 67 A K H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.925 126.2 54.9 -60.3 -44.8 -28.0 -12.1 6.0 54 68 A E H > S+ 0 0 127 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.866 106.6 51.8 -53.2 -40.9 -29.2 -14.3 3.2 55 69 A D H >> S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 3,-0.9 0.940 107.7 49.6 -64.7 -52.1 -28.3 -11.5 0.7 56 70 A F H 3X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.3 8,-0.3 0.880 111.3 50.9 -50.4 -44.2 -24.8 -11.1 2.0 57 71 A R H 3< S+ 0 0 48 -4,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.684 107.0 55.2 -66.2 -22.2 -24.5 -14.9 1.6 58 72 A Y H << S+ 0 0 192 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.895 111.5 42.0 -76.3 -43.2 -25.8 -14.5 -1.9 59 73 A R H < S+ 0 0 107 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.825 132.3 22.2 -73.1 -36.0 -23.0 -12.0 -2.8 60 74 A S X - 0 0 9 -4,-2.3 4,-0.8 -5,-0.2 -1,-0.3 -0.898 61.2-171.0-137.8 108.3 -20.4 -14.0 -1.0 61 75 A P T 4 S+ 0 0 99 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.856 90.7 30.7 -59.7 -37.2 -20.8 -17.7 -0.3 62 76 A H T 4 S+ 0 0 84 2,-0.1 4,-0.2 1,-0.1 3,-0.2 0.920 131.6 27.8 -92.5 -52.5 -17.7 -17.9 2.0 63 77 A S T >> S+ 0 0 3 1,-0.1 3,-2.0 -28,-0.1 4,-1.5 0.836 94.6 105.4 -80.0 -35.7 -17.3 -14.5 3.7 64 78 A G H 3X S+ 0 0 0 -4,-0.8 4,-1.4 1,-0.3 3,-0.2 0.572 81.7 33.6 -7.2 -80.5 -21.1 -13.7 3.5 65 79 A D H 3> S+ 0 0 4 -4,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.747 116.2 57.9 -65.9 -24.6 -22.4 -14.2 7.0 66 80 A V H <> S+ 0 0 0 -3,-2.0 4,-2.3 -4,-0.2 -1,-0.2 0.900 105.5 49.2 -71.2 -42.6 -19.1 -13.0 8.6 67 81 A L H X S+ 0 0 0 -4,-1.5 4,-1.7 -3,-0.2 -2,-0.2 0.838 111.4 52.3 -62.5 -34.0 -19.4 -9.7 6.7 68 82 A Y H X S+ 0 0 50 -4,-1.4 4,-2.5 -5,-0.3 -2,-0.2 0.942 110.4 44.4 -67.2 -51.2 -23.0 -9.4 8.0 69 83 A E H X S+ 0 0 33 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.851 110.4 56.3 -64.0 -34.9 -22.1 -10.0 11.7 70 84 A L H X S+ 0 0 1 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.932 109.3 46.5 -60.0 -45.6 -19.2 -7.6 11.4 71 85 A L H X S+ 0 0 2 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.922 112.4 49.3 -63.0 -45.6 -21.6 -4.9 10.2 72 86 A Q H X S+ 0 0 65 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.932 110.9 50.9 -57.9 -45.0 -24.1 -5.7 13.0 73 87 A H H < S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.826 110.1 49.8 -61.6 -35.1 -21.3 -5.5 15.5 74 88 A I H >< S+ 0 0 8 -4,-1.7 3,-2.0 1,-0.2 -2,-0.2 0.926 107.8 53.2 -70.4 -45.6 -20.3 -2.1 14.0 75 89 A L H 3< S+ 0 0 79 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.851 102.8 58.7 -57.3 -36.5 -23.9 -0.8 14.3 76 90 A A T 3< S+ 0 0 85 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.458 94.1 86.3 -74.5 0.9 -24.0 -1.8 17.9 77 91 A Q < 0 0 93 -3,-2.0 -2,-0.1 -5,-0.1 -3,-0.1 0.694 360.0 360.0 -69.1-128.9 -20.9 0.5 18.6 78 92 A A 0 0 146 -4,-0.2 -2,-0.0 0, 0.0 -3,-0.0 -0.029 360.0 360.0 55.0 360.0 -21.2 4.3 19.4 79 !* 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 80 15 B S 0 0 168 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.3 -10.3 -31.1 32.6 81 16 B I + 0 0 60 2,-0.0 2,-0.5 72,-0.0 0, 0.0 -0.835 360.0 170.9-110.8 95.3 -10.4 -29.5 29.1 82 17 B A - 0 0 67 -2,-0.7 3,-0.1 1,-0.0 6,-0.0 -0.911 30.7-125.7-112.3 127.1 -7.0 -28.3 28.1 83 18 B L - 0 0 15 -2,-0.5 5,-0.1 1,-0.1 19,-0.0 -0.362 39.8 -95.1 -60.8 141.5 -6.1 -27.1 24.6 84 19 B P > - 0 0 28 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.268 42.3-102.8 -58.3 152.0 -3.1 -28.7 23.0 85 20 B A G > S+ 0 0 71 1,-0.3 3,-1.1 2,-0.2 -2,-0.1 0.779 117.9 61.6 -47.4 -35.6 0.1 -26.8 23.5 86 21 B H G 3 S+ 0 0 114 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.692 109.2 40.2 -70.5 -18.7 0.1 -25.4 19.9 87 22 B L G < S+ 0 0 0 -3,-2.3 2,-0.4 1,-0.1 -1,-0.2 0.243 74.6 123.6-111.3 12.7 -3.2 -23.5 20.5 88 23 B R < + 0 0 179 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.1 0.250 50.2 96.0 -66.4 18.1 -2.7 -22.2 24.0 89 24 B L S S- 0 0 77 -2,-0.4 5,-0.1 -3,-0.1 -3,-0.0 -0.742 90.4 -80.8-107.2 158.4 -3.3 -18.6 23.0 90 25 B Q > - 0 0 117 -2,-0.3 3,-3.0 1,-0.1 4,-0.2 -0.261 41.2-122.8 -53.2 133.2 -6.5 -16.5 23.3 91 26 B P G > S+ 0 0 3 0, 0.0 3,-2.4 0, 0.0 33,-0.2 0.792 108.1 73.9 -52.2 -29.9 -8.7 -17.2 20.3 92 27 B I G 3 S+ 0 0 32 1,-0.3 33,-0.5 32,-0.2 34,-0.1 0.820 99.6 48.2 -55.4 -24.3 -8.7 -13.6 19.4 93 28 B Y G < S+ 0 0 147 -3,-3.0 -1,-0.3 31,-0.2 2,-0.2 0.408 84.1 119.1 -97.4 1.5 -5.1 -14.3 18.2 94 29 B W < - 0 0 2 -3,-2.4 30,-2.6 -4,-0.2 31,-0.5 -0.436 54.8-141.0 -69.9 137.0 -5.8 -17.4 16.2 95 30 B S >> - 0 0 53 28,-0.2 4,-2.2 -2,-0.2 3,-1.1 -0.501 36.7 -91.5 -90.1 166.7 -5.0 -17.3 12.5 96 31 B R H 3> S+ 0 0 90 1,-0.3 4,-1.6 2,-0.2 26,-0.2 0.835 131.4 48.9 -41.7 -38.3 -7.1 -18.9 9.8 97 32 B D H 3> S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.767 104.0 55.7 -80.6 -27.3 -4.9 -22.0 10.3 98 33 B D H <> S+ 0 0 38 -3,-1.1 4,-2.2 2,-0.2 5,-0.2 0.937 107.2 53.5 -63.5 -44.7 -5.2 -22.1 14.1 99 34 B V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.921 108.9 47.2 -51.9 -51.8 -9.0 -22.2 13.5 100 35 B A H X S+ 0 0 21 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.883 112.9 50.5 -59.0 -37.7 -8.6 -25.2 11.1 101 36 B Q H X S+ 0 0 66 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.792 108.7 50.8 -73.1 -29.1 -6.3 -26.8 13.7 102 37 B W H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.845 110.8 49.2 -75.0 -34.1 -8.8 -26.3 16.5 103 38 B L H X S+ 0 0 3 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.910 110.5 50.0 -70.7 -41.1 -11.6 -27.8 14.4 104 39 B K H X S+ 0 0 122 -4,-2.1 4,-1.1 -5,-0.2 -2,-0.2 0.889 116.1 44.0 -61.6 -37.6 -9.4 -30.8 13.6 105 40 B W H X S+ 0 0 37 -4,-1.5 4,-3.5 2,-0.2 3,-0.3 0.927 110.7 51.2 -73.6 -51.2 -8.6 -31.2 17.4 106 41 B A H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 6,-0.4 0.856 106.8 57.3 -53.0 -38.3 -12.2 -30.7 18.7 107 42 B E H X>S+ 0 0 53 -4,-1.7 5,-1.1 -5,-0.2 4,-0.8 0.884 116.2 33.5 -64.4 -42.3 -13.4 -33.4 16.2 108 43 B N H <5S+ 0 0 120 -4,-1.1 -2,-0.2 -3,-0.3 3,-0.2 0.920 121.2 48.8 -77.5 -49.2 -11.0 -36.0 17.7 109 44 B E H <5S+ 0 0 106 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.893 125.3 28.4 -56.6 -43.7 -11.2 -34.8 21.2 110 45 B F H <5S- 0 0 63 -4,-3.1 -1,-0.2 -5,-0.3 -3,-0.2 0.470 102.7-120.6-104.2 -1.0 -15.0 -34.6 21.3 111 46 B S T <5 + 0 0 110 -4,-0.8 -3,-0.2 -5,-0.2 -4,-0.2 0.860 54.1 166.4 63.7 42.1 -15.9 -37.3 18.8 112 47 B L < - 0 0 35 -5,-1.1 -1,-0.1 -6,-0.4 3,-0.1 -0.210 41.6 -79.9 -81.5 172.6 -17.8 -34.8 16.6 113 48 B R - 0 0 148 1,-0.1 2,-0.2 -2,-0.0 -1,-0.2 -0.237 61.3 -82.3 -64.5 157.9 -19.0 -35.3 13.0 114 49 B P - 0 0 101 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.496 52.4-165.0 -60.8 133.3 -16.5 -34.9 10.2 115 50 B I - 0 0 15 -2,-0.2 4,-0.1 -3,-0.1 -8,-0.1 -0.975 22.5-118.0-128.3 115.6 -16.3 -31.2 9.6 116 51 B D > - 0 0 103 -2,-0.5 3,-0.9 1,-0.1 4,-0.2 -0.238 19.3-135.6 -48.2 131.0 -14.7 -29.9 6.4 117 52 B S G > S+ 0 0 74 1,-0.3 3,-0.9 2,-0.1 2,-0.7 0.891 102.7 61.5 -61.7 -39.2 -11.6 -27.8 7.3 118 53 B N G 3 S+ 0 0 102 1,-0.2 3,-0.3 3,-0.1 -1,-0.3 -0.065 78.5 98.7 -75.4 34.3 -12.6 -25.1 4.8 119 54 B T G < S+ 0 0 27 -3,-0.9 2,-0.5 -2,-0.7 -1,-0.2 0.804 85.7 35.7 -92.4 -34.8 -15.8 -24.5 6.8 120 55 B F S < S- 0 0 4 -3,-0.9 2,-2.5 -4,-0.2 -1,-0.2 -0.684 72.3-178.5-119.2 71.6 -14.6 -21.5 8.8 121 56 B E + 0 0 20 -2,-0.5 -87,-0.3 -3,-0.3 2,-0.3 -0.472 54.4 79.3 -72.9 74.9 -12.5 -19.7 6.3 122 57 B M S S- 0 0 0 -2,-2.5 -90,-0.2 -26,-0.2 -23,-0.2 -0.962 77.8-100.5-165.8 171.3 -11.6 -17.0 8.8 123 58 B N > - 0 0 12 -92,-2.0 4,-2.8 -2,-0.3 3,-0.5 -0.470 46.0 -90.3 -99.6 179.1 -9.3 -16.2 11.8 124 59 B G H > S+ 0 0 0 -30,-2.6 4,-1.7 1,-0.3 -31,-0.2 0.817 123.8 58.3 -58.0 -40.2 -10.1 -16.2 15.6 125 60 B K H 4 S+ 0 0 52 -33,-0.5 -1,-0.3 -31,-0.5 4,-0.2 0.884 113.3 38.8 -53.7 -46.3 -11.1 -12.5 15.5 126 61 B A H >> S+ 0 0 0 -3,-0.5 3,-2.2 -95,-0.2 4,-0.9 0.890 108.7 61.7 -75.6 -39.0 -13.8 -13.3 13.0 127 62 B L H >< S+ 0 0 0 -4,-2.8 3,-0.5 1,-0.3 -2,-0.2 0.843 99.0 59.9 -51.3 -34.7 -14.6 -16.6 14.7 128 63 B L T 3< S+ 0 0 59 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.587 97.7 58.0 -72.6 -13.5 -15.6 -14.4 17.7 129 64 B L T <4 S+ 0 0 19 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.2 0.738 83.5 99.4 -87.1 -26.3 -18.3 -12.5 15.7 130 65 B L << - 0 0 8 -4,-0.9 2,-0.1 -3,-0.5 -64,-0.0 -0.261 67.0-136.1 -63.7 145.8 -20.3 -15.5 14.8 131 66 B T > - 0 0 48 1,-0.1 4,-2.1 0, 0.0 5,-0.1 -0.408 28.4-102.1 -91.8 174.5 -23.4 -16.3 16.8 132 67 B K H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.920 126.2 55.2 -60.4 -45.4 -24.5 -19.8 18.0 133 68 B E H > S+ 0 0 111 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.857 106.5 51.7 -53.0 -40.2 -27.0 -19.8 15.1 134 69 B D H >> S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 3,-0.8 0.931 107.6 49.9 -66.3 -49.9 -24.1 -19.2 12.7 135 70 B F H 3X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.3 8,-0.3 0.894 111.3 50.5 -51.9 -44.4 -22.0 -22.0 14.0 136 71 B R H 3< S+ 0 0 123 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.688 107.1 55.6 -65.1 -22.9 -25.1 -24.2 13.6 137 72 B Y H << S+ 0 0 147 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.892 111.6 41.4 -75.8 -42.5 -25.4 -22.9 10.1 138 73 B R H < S+ 0 0 45 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.815 132.4 22.9 -75.2 -35.0 -21.9 -24.0 9.2 139 74 B S X - 0 0 9 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.3 -0.898 61.2-171.4-137.7 107.6 -22.3 -27.3 11.0 140 75 B P T 4 S+ 0 0 103 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.858 90.7 30.6 -60.2 -36.8 -25.7 -28.8 11.7 141 76 B H T 4 S+ 0 0 123 2,-0.1 4,-0.2 1,-0.1 3,-0.1 0.910 132.0 27.5 -92.6 -50.8 -24.4 -31.5 14.0 142 77 B S T >> S+ 0 0 2 1,-0.1 3,-2.2 -28,-0.1 4,-1.5 0.843 94.5 104.8 -81.6 -37.1 -21.3 -30.2 15.7 143 78 B G H 3X S+ 0 0 0 -4,-0.7 4,-1.5 1,-0.3 3,-0.3 0.566 82.2 34.4 -7.5 -79.0 -22.4 -26.5 15.5 144 79 B D H 3> S+ 0 0 60 -4,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.748 116.1 57.2 -66.2 -25.0 -23.5 -25.6 19.0 145 80 B V H <> S+ 0 0 56 -3,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.884 105.7 49.5 -71.5 -41.5 -20.8 -27.9 20.6 146 81 B L H X S+ 0 0 0 -4,-1.5 4,-1.8 -3,-0.3 -2,-0.2 0.840 111.3 52.4 -63.9 -33.8 -18.1 -26.0 18.8 147 82 B Y H X S+ 0 0 50 -4,-1.5 4,-2.6 -5,-0.3 -2,-0.2 0.946 110.1 44.4 -66.8 -51.6 -19.7 -22.8 20.0 148 83 B E H X S+ 0 0 96 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.852 110.7 56.4 -63.5 -34.7 -19.8 -23.8 23.7 149 84 B L H X S+ 0 0 12 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.932 109.2 46.3 -60.4 -45.9 -16.2 -25.1 23.4 150 85 B L H X S+ 0 0 2 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.936 112.6 49.3 -61.9 -47.6 -15.1 -21.6 22.2 151 86 B Q H X S+ 0 0 66 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.926 111.1 50.7 -56.0 -44.8 -17.1 -19.9 25.0 152 87 B H H < S+ 0 0 86 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.843 110.1 49.7 -62.5 -36.3 -15.5 -22.3 27.5 153 88 B I H >< S+ 0 0 10 -4,-2.0 3,-2.0 1,-0.2 4,-0.3 0.941 108.0 53.1 -68.5 -46.9 -12.0 -21.4 26.1 154 89 B L H 3< S+ 0 0 77 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.849 102.4 60.1 -55.5 -36.8 -12.7 -17.7 26.3 155 90 B A T 3< S+ 0 0 85 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.471 96.0 72.9 -74.2 -0.3 -13.6 -18.1 30.0 156 91 B Q < 0 0 94 -3,-2.0 -2,-0.1 -4,-0.1 -3,-0.1 0.795 360.0 360.0 -79.4-110.1 -10.1 -19.5 30.9 157 92 B A 0 0 136 -4,-0.3 -2,-0.1 -68,-0.0 -3,-0.0 -0.131 360.0 360.0 50.7 360.0 -7.0 -17.2 31.0