==== 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 ISOMERASE 13-AUG-08 3E58 . COMPND 2 MOLECULE: PUTATIVE BETA-PHOSPHOGLUCOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS THERMOPHILUS LMG 18311; . AUTHOR C.CHANG,C.TESAR,K.SOUVONG,G.COBB,A.JOACHIMIAK,MIDWEST CENTER . 419 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19953.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 2 0.5 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 . 19 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 3 2 0 0 0 2 6 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 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 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 2 0 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 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 X 0 0 124 0, 0.0 2,-0.3 0, 0.0 210,-0.1 0.000 360.0 360.0 360.0 129.5 71.3 3.9 3.3 2 2 A V + 0 0 42 1,-0.2 160,-0.2 208,-0.1 3,-0.1 -0.524 360.0 176.7 -71.5 126.9 71.4 7.6 3.0 3 3 A E + 0 0 75 158,-3.4 101,-2.6 -2,-0.3 2,-0.3 0.612 63.9 19.2-103.4 -19.7 74.3 8.8 0.9 4 4 A A E -ab 104 162A 0 157,-1.4 159,-1.3 99,-0.2 2,-0.4 -0.998 55.3-154.0-151.5 148.4 73.7 12.5 0.8 5 5 A I E -ab 105 163A 0 99,-2.3 101,-2.5 -2,-0.3 2,-0.6 -0.996 9.7-160.9-124.2 131.1 71.8 15.2 2.7 6 6 A I E -ab 106 164A 0 157,-2.9 159,-2.5 -2,-0.4 2,-0.5 -0.957 11.9-160.0-109.6 118.5 70.7 18.5 0.9 7 7 A F E -ab 107 165A 0 99,-2.8 101,-2.4 -2,-0.6 2,-0.2 -0.856 12.3-139.0 -98.4 133.3 69.9 21.3 3.3 8 8 A D E -a 108 0A 6 157,-2.8 5,-0.2 -2,-0.5 101,-0.2 -0.517 20.1-141.9 -71.5 159.3 67.8 24.3 2.3 9 9 A X S >>>S+ 0 0 0 99,-1.1 4,-2.5 -2,-0.2 3,-1.6 0.952 72.2 64.5 -94.3 -66.9 69.3 27.5 3.9 10 10 A D B 345S+f 14 0B 3 1,-0.3 5,-0.2 2,-0.2 157,-0.1 -0.437 118.6 6.5 -67.0 128.8 66.7 30.0 5.1 11 11 A G T 345S+ 0 0 7 3,-2.7 -1,-0.3 -2,-0.2 4,-0.1 0.446 131.4 58.8 80.3 1.7 64.6 28.7 8.1 12 12 A V T <45S+ 0 0 1 -3,-1.6 -2,-0.2 2,-0.3 -3,-0.2 0.648 121.9 11.3-124.6 -57.9 66.8 25.6 8.2 13 13 A L T <5S+ 0 0 0 -4,-2.5 75,-2.2 -5,-0.2 2,-0.4 0.679 135.1 35.6 -95.1 -23.5 70.4 26.6 8.9 14 14 A F B + 0 0 0 -2,-1.9 4,-2.8 -7,-0.1 5,-0.2 0.448 30.3 99.0-105.8 -3.0 66.0 34.3 8.7 17 17 A E H > S+ 0 0 16 -3,-0.3 4,-2.5 1,-0.2 5,-0.3 0.914 87.8 44.4 -65.3 -41.8 62.4 33.7 7.5 18 18 A K H > S+ 0 0 45 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.953 115.7 49.0 -60.4 -46.8 60.8 36.6 9.5 19 19 A Y H > S+ 0 0 25 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.902 114.2 45.7 -55.1 -46.9 63.7 38.9 8.4 20 20 A Y H X S+ 0 0 13 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.907 116.1 44.4 -65.8 -44.2 63.3 37.8 4.7 21 21 A Y H X S+ 0 0 2 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.915 114.7 47.7 -69.3 -44.6 59.5 38.1 4.7 22 22 A D H X S+ 0 0 6 -4,-3.1 4,-2.5 -5,-0.3 -1,-0.2 0.850 108.5 55.7 -69.1 -33.0 59.4 41.5 6.5 23 23 A R H X S+ 0 0 11 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.939 113.0 41.1 -63.7 -45.6 62.1 42.9 4.2 24 24 A R H X S+ 0 0 15 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.927 116.1 49.2 -66.4 -45.6 60.0 42.1 1.1 25 25 A A H X S+ 0 0 4 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.869 111.6 49.4 -65.1 -36.7 56.8 43.2 2.7 26 26 A S H X S+ 0 0 6 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.931 109.9 51.3 -64.5 -47.0 58.3 46.4 3.8 27 27 A F H X S+ 0 0 8 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.921 111.2 47.8 -54.1 -46.2 59.7 47.1 0.3 28 28 A L H <>S+ 0 0 0 -4,-2.6 5,-3.1 1,-0.2 4,-0.4 0.917 110.2 51.6 -65.3 -42.7 56.3 46.5 -1.2 29 29 A G H ><5S+ 0 0 42 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.887 106.9 54.6 -57.8 -41.6 54.6 48.8 1.4 30 30 A Q H 3<5S+ 0 0 77 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.841 109.6 47.2 -61.7 -33.6 57.1 51.5 0.5 31 31 A K T 3<5S- 0 0 72 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.466 118.9-113.3 -83.9 -4.4 56.1 51.1 -3.2 32 32 A G T < 5 + 0 0 67 -3,-1.2 2,-0.6 -4,-0.4 -3,-0.2 0.762 68.2 146.5 74.0 26.5 52.4 51.3 -2.2 33 33 A I < - 0 0 14 -5,-3.1 2,-0.4 -6,-0.1 -1,-0.2 -0.865 38.4-146.6-101.1 119.9 51.9 47.6 -3.2 34 34 A S + 0 0 63 -2,-0.6 3,-0.1 1,-0.1 255,-0.1 -0.673 21.6 175.8 -85.9 135.2 49.4 45.5 -1.3 35 35 A I > + 0 0 4 253,-0.4 3,-2.0 -2,-0.4 -1,-0.1 0.081 43.9 119.5-120.6 23.5 49.9 41.8 -0.7 36 36 A D T 3 S+ 0 0 46 1,-0.3 -1,-0.1 252,-0.1 252,-0.1 0.740 71.4 60.8 -55.1 -27.7 46.9 41.2 1.6 37 37 A H T 3 S+ 0 0 55 18,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.485 94.3 78.5 -80.7 -5.2 45.5 38.7 -1.0 38 38 A L S < S- 0 0 19 -3,-2.0 -3,-0.1 17,-0.1 250,-0.0 -0.886 71.6-136.4-115.2 136.4 48.5 36.4 -0.7 39 39 A P >> - 0 0 64 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.535 31.2-112.6 -78.8 153.1 49.3 33.8 2.0 40 40 A P H >> S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 3,-1.4 0.837 115.0 68.8 -52.8 -33.7 53.0 33.6 3.2 41 41 A S H 34 S+ 0 0 24 1,-0.3 129,-0.3 149,-0.3 150,-0.0 0.707 89.4 65.7 -57.6 -22.0 53.3 30.2 1.5 42 42 A F H <4 S+ 0 0 30 -3,-2.0 -1,-0.3 1,-0.1 -4,-0.0 0.854 114.3 26.8 -67.5 -34.9 53.1 32.0 -1.8 43 43 A F H X< S+ 0 0 6 -3,-1.4 3,-2.2 -4,-0.5 2,-0.3 0.818 92.3 98.7 -96.0 -39.4 56.4 33.8 -1.2 44 44 A I T 3< S- 0 0 4 -4,-2.3 126,-0.6 1,-0.3 127,-0.3 -0.392 105.7 -1.6 -71.3 120.0 58.5 31.7 1.1 45 45 A G T 3 S+ 0 0 11 -2,-0.3 97,-0.5 1,-0.2 -1,-0.3 0.390 114.9 107.5 83.1 -1.8 61.0 29.7 -0.9 46 46 A G S < S- 0 0 9 -3,-2.2 2,-0.4 95,-0.1 -1,-0.2 -0.057 73.2-107.8 -91.3-166.0 59.6 31.2 -4.2 47 47 A N > - 0 0 54 95,-0.2 3,-1.2 1,-0.1 4,-0.5 -0.948 12.0-160.2-133.5 112.2 61.0 33.7 -6.6 48 48 A T G > S+ 0 0 9 -2,-0.4 3,-1.3 1,-0.2 4,-0.2 0.832 86.4 74.9 -58.4 -34.7 59.4 37.3 -6.8 49 49 A K G 3 S+ 0 0 49 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.790 101.6 38.6 -43.8 -39.7 60.9 37.7 -10.3 50 50 A Q G < S+ 0 0 76 -3,-1.2 -1,-0.3 1,-0.2 3,-0.2 0.570 111.4 56.4 -93.7 -10.5 58.3 35.4 -11.9 51 51 A V <> + 0 0 27 -3,-1.3 4,-1.8 -4,-0.5 3,-0.2 0.045 57.4 117.9-119.9 25.5 55.2 36.3 -9.9 52 52 A W H > S+ 0 0 8 -3,-0.3 4,-3.0 -4,-0.2 5,-0.3 0.808 77.5 58.5 -64.3 -27.6 54.6 40.1 -10.4 53 53 A E H > S+ 0 0 52 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 107.5 46.3 -66.1 -42.6 51.3 39.4 -12.1 54 54 A N H 4 S+ 0 0 78 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.841 117.4 44.9 -64.7 -36.0 50.1 37.6 -9.0 55 55 A I H < S+ 0 0 4 -4,-1.8 -2,-0.2 -7,-0.1 -1,-0.2 0.950 123.7 30.8 -72.1 -51.5 51.4 40.4 -6.8 56 56 A L H >< S+ 0 0 11 -4,-3.0 3,-2.5 1,-0.2 4,-0.2 0.661 80.2 172.9 -89.5 -21.8 50.1 43.4 -8.8 57 57 A R G >< S+ 0 0 151 -4,-2.2 3,-2.0 -5,-0.3 4,-0.2 -0.228 75.3 5.9 50.0-124.6 46.9 41.8 -10.3 58 58 A D G 3 S+ 0 0 154 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.679 131.1 59.9 -61.4 -21.0 45.0 44.6 -12.1 59 59 A E G X> S+ 0 0 116 -3,-2.5 3,-1.7 1,-0.2 4,-0.6 0.491 76.1 98.7 -84.1 -6.0 47.8 47.1 -11.5 60 60 A Y G X4 S+ 0 0 95 -3,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.877 79.4 51.7 -51.7 -46.9 50.3 45.0 -13.4 61 61 A D G 34 S+ 0 0 153 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.649 103.6 60.9 -66.2 -17.3 50.0 47.0 -16.6 62 62 A K G <4 S+ 0 0 81 -3,-1.7 2,-0.3 -4,-0.1 -1,-0.2 0.639 95.5 75.2 -84.2 -16.9 50.6 50.2 -14.7 63 63 A W S << S- 0 0 83 -3,-1.3 2,-1.3 -4,-0.6 3,-0.1 -0.770 76.2-132.1-104.5 142.1 54.1 49.2 -13.5 64 64 A D > - 0 0 99 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 -0.788 33.8-176.1 -80.1 93.8 57.5 49.0 -15.1 65 65 A V H > S+ 0 0 26 -2,-1.3 4,-2.9 1,-0.2 5,-0.2 0.848 73.8 59.5 -71.4 -37.6 58.0 45.5 -13.7 66 66 A S H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.942 111.7 41.2 -51.3 -50.5 61.6 45.1 -15.0 67 67 A T H > S+ 0 0 59 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.868 111.5 56.6 -69.7 -37.2 62.6 48.2 -13.0 68 68 A L H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.935 109.1 45.9 -58.7 -48.5 60.6 47.2 -10.0 69 69 A Q H X S+ 0 0 24 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.921 111.4 52.3 -61.7 -44.2 62.4 43.8 -9.8 70 70 A E H X S+ 0 0 51 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.925 110.3 49.1 -56.0 -45.0 65.8 45.6 -10.3 71 71 A E H X S+ 0 0 76 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.882 110.9 49.2 -63.4 -40.5 64.8 47.9 -7.4 72 72 A Y H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.921 110.0 51.4 -65.9 -42.3 63.9 45.0 -5.2 73 73 A N H X S+ 0 0 64 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.924 111.5 47.4 -57.5 -43.7 67.1 43.2 -6.0 74 74 A T H X S+ 0 0 66 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.880 108.9 55.8 -63.1 -38.3 69.0 46.4 -5.0 75 75 A Y H X S+ 0 0 22 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.919 106.7 48.7 -62.0 -44.1 66.9 46.6 -1.8 76 76 A K H < S+ 0 0 17 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.890 111.6 50.6 -63.6 -38.9 68.0 43.1 -0.8 77 77 A Q H < S+ 0 0 141 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.883 113.2 45.0 -62.3 -42.5 71.6 44.0 -1.5 78 78 A N H < S+ 0 0 117 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.506 114.4 50.9 -82.6 -5.5 71.3 47.2 0.6 79 79 A N S < S- 0 0 23 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.1 -0.521 79.1-177.0-130.6 63.7 69.5 45.4 3.5 80 80 A P - 0 0 53 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 -0.252 25.3-118.9 -65.2 148.3 71.7 42.3 4.2 81 81 A L - 0 0 3 -5,-0.1 2,-1.9 1,-0.1 3,-0.2 -0.661 23.5-115.0 -88.9 145.0 70.5 39.8 6.8 82 82 A P >> + 0 0 19 0, 0.0 3,-1.2 0, 0.0 4,-1.1 -0.500 41.1 171.2 -83.0 75.1 72.7 39.2 9.9 83 83 A Y H 3> S+ 0 0 0 -2,-1.9 4,-1.4 1,-0.3 3,-0.4 0.832 73.6 56.8 -55.3 -38.6 73.6 35.5 9.3 84 84 A K H 34 S+ 0 0 135 1,-0.2 -1,-0.3 2,-0.2 35,-0.0 0.818 111.2 44.1 -65.4 -29.3 76.2 35.4 12.1 85 85 A E H <4 S+ 0 0 136 -3,-1.2 -1,-0.2 1,-0.1 -2,-0.2 0.701 118.3 44.1 -83.4 -19.2 73.5 36.4 14.6 86 86 A L H < S+ 0 0 17 -4,-1.1 -71,-3.0 -3,-0.4 -2,-0.2 0.483 74.9 121.4-109.8 -6.7 70.8 34.0 13.1 87 87 A I B < S-G 14 0B 41 -4,-1.4 -73,-0.3 -73,-0.3 -74,-0.1 -0.341 72.9-107.5 -58.1 135.3 72.6 30.7 12.6 88 88 A F > - 0 0 53 -75,-2.2 3,-1.7 1,-0.1 4,-0.3 -0.428 25.5-120.8 -66.1 145.1 70.9 28.0 14.5 89 89 A P T 3 S+ 0 0 133 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.576 108.9 49.3 -68.4 -11.0 73.0 26.9 17.6 90 90 A D T 3> S+ 0 0 18 2,-0.1 4,-2.4 1,-0.1 5,-0.2 0.281 79.4 100.5-109.2 6.7 73.3 23.2 16.3 91 91 A V H <> S+ 0 0 0 -3,-1.7 4,-3.0 2,-0.2 5,-0.3 0.950 86.3 41.1 -58.1 -56.2 74.4 23.9 12.7 92 92 A L H > S+ 0 0 80 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.893 114.8 53.4 -62.0 -39.0 78.1 23.2 13.2 93 93 A K H > S+ 0 0 114 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.940 114.7 41.1 -56.5 -50.2 77.4 20.2 15.4 94 94 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.947 115.2 48.6 -67.3 -49.8 75.1 18.6 12.8 95 95 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.905 112.2 49.9 -61.0 -41.4 77.2 19.4 9.8 96 96 A N H X S+ 0 0 86 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.908 112.3 47.6 -61.5 -39.9 80.4 18.0 11.4 97 97 A E H X S+ 0 0 79 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.933 112.1 48.0 -69.4 -45.4 78.5 14.8 12.4 98 98 A V H <>S+ 0 0 0 -4,-2.8 5,-1.7 1,-0.2 3,-0.3 0.931 114.7 47.4 -58.4 -45.0 77.0 14.3 8.9 99 99 A K H ><5S+ 0 0 107 -4,-2.4 3,-1.7 -5,-0.2 -2,-0.2 0.909 108.6 54.5 -61.9 -43.6 80.5 14.9 7.4 100 100 A S H 3<5S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.801 102.1 57.7 -61.0 -32.3 82.1 12.5 9.9 101 101 A Q T 3<5S- 0 0 81 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.479 119.1-113.9 -79.9 -2.3 79.7 9.8 8.8 102 102 A G T < 5 + 0 0 66 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.662 64.4 148.8 82.3 18.3 81.0 10.2 5.3 103 103 A L < - 0 0 22 -5,-1.7 -1,-0.3 1,-0.1 -99,-0.2 -0.551 49.3-116.8 -81.2 147.4 77.8 11.6 3.7 104 104 A E E -a 4 0A 68 -101,-2.6 -99,-2.3 -2,-0.2 2,-0.4 -0.567 31.8-150.9 -74.4 149.7 77.8 14.1 0.8 105 105 A I E -a 5 0A 1 -101,-0.2 25,-2.7 -2,-0.2 26,-1.1 -0.990 13.4-173.7-130.5 132.7 76.3 17.4 1.7 106 106 A G E -ac 6 131A 1 -101,-2.5 -99,-2.8 -2,-0.4 2,-0.4 -0.864 9.2-156.0-118.1 157.2 74.5 19.9 -0.5 107 107 A L E +ac 7 132A 2 24,-2.0 26,-2.5 -2,-0.3 2,-0.3 -1.000 16.6 172.1-129.8 131.2 73.2 23.4 0.2 108 108 A A E +ac 8 133A 0 -101,-2.4 -99,-1.1 -2,-0.4 2,-0.3 -0.974 1.4 168.2-134.7 154.0 70.4 25.0 -1.8 109 109 A S E - c 0 134A 0 24,-1.4 26,-2.4 -2,-0.3 27,-0.3 -0.967 42.9-134.3-159.9 147.1 68.5 28.2 -1.3 110 110 A S S S+ 0 0 28 -2,-0.3 24,-0.1 24,-0.2 3,-0.1 0.590 82.4 104.3 -74.4 -11.9 66.1 30.5 -3.1 111 111 A S S S- 0 0 0 1,-0.1 25,-0.5 24,-0.1 24,-0.4 -0.365 88.7 -92.8 -62.5 149.9 68.3 33.3 -1.9 112 112 A V >> - 0 0 30 22,-0.1 4,-1.8 23,-0.1 3,-0.7 -0.250 37.1-109.2 -60.7 154.2 70.6 34.8 -4.6 113 113 A K H 3> S+ 0 0 41 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.827 116.6 60.0 -60.2 -35.3 74.1 33.3 -4.8 114 114 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61.8 52.6 20.8 224 10 B D B 345S+m 228 0D 21 1,-0.2 5,-0.2 2,-0.2 -1,-0.1 -0.357 121.0 9.4 -54.8 130.6 58.0 52.5 20.3 225 11 B G T 345S+ 0 0 12 3,-2.8 -1,-0.2 1,-0.1 4,-0.1 0.280 132.1 54.6 82.8 -9.7 56.5 55.9 21.2 226 12 B V T <45S+ 0 0 1 -3,-1.8 -2,-0.2 2,-0.3 -3,-0.2 0.728 123.9 13.0-118.9 -54.7 59.9 57.5 21.6 227 13 B L T <5S+ 0 0 0 -4,-2.7 71,-2.3 1,-0.3 2,-0.4 0.712 134.9 35.7 -96.0 -27.3 61.9 57.0 18.4 228 14 B F B + 0 0 2 -2,-1.2 4,-2.4 2,-0.1 5,-0.2 0.678 35.5 85.2-111.5 -25.5 53.6 53.7 16.6 231 17 B E H > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.907 96.2 41.3 -60.1 -51.1 50.5 53.6 18.8 232 18 B K H > S+ 0 0 77 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.886 113.9 54.2 -62.7 -39.6 47.9 54.8 16.2 233 19 B Y H > S+ 0 0 57 -4,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.927 107.9 49.1 -60.1 -47.1 49.4 52.7 13.5 234 20 B Y H X S+ 0 0 57 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.933 114.9 46.1 -54.6 -47.6 49.1 49.5 15.6 235 21 B Y H X S+ 0 0 28 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.943 114.2 46.6 -62.1 -48.8 45.5 50.4 16.4 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T <<5S+ 0 0 62 -3,-0.9 2,-0.5 -4,-0.7 -3,-0.2 0.704 74.6 138.2 79.5 22.9 33.3 42.9 8.5 247 33 B I < - 0 0 7 -5,-3.1 2,-0.3 -6,-0.1 -1,-0.3 -0.885 44.9-142.7-106.2 126.0 34.0 43.3 12.2 248 34 B S - 0 0 70 -2,-0.5 3,-0.1 18,-0.1 -9,-0.0 -0.645 19.6-178.8 -88.4 143.1 33.6 46.7 13.8 249 35 B I > + 0 0 10 -2,-0.3 3,-2.1 1,-0.1 -1,-0.1 0.150 48.9 115.8-122.2 18.2 36.0 48.0 16.5 250 36 B D T 3 S+ 0 0 148 1,-0.3 -1,-0.1 -11,-0.1 -11,-0.0 0.767 71.1 61.7 -58.2 -28.6 34.3 51.4 17.1 251 37 B H T 3 S+ 0 0 68 1,-0.2 -1,-0.3 14,-0.1 -2,-0.1 0.552 98.3 61.0 -77.0 -10.8 33.4 50.4 20.7 252 38 B L S < S- 0 0 11 -3,-2.1 -1,-0.2 13,-0.1 5,-0.1 -0.830 75.7-165.0-118.5 91.9 37.0 50.0 21.6 253 39 B P >> - 0 0 61 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.180 41.9 -93.6 -65.8 165.5 38.8 53.3 21.2 254 40 B P G >4 S+ 0 0 29 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.849 124.1 66.5 -48.1 -36.8 42.7 53.4 21.2 255 41 B S G >4 S+ 0 0 69 1,-0.3 3,-1.5 2,-0.2 145,-0.0 0.777 87.4 67.6 -56.9 -29.9 42.6 54.1 25.0 256 42 B F G <4 S+ 0 0 83 -3,-1.9 -1,-0.3 1,-0.3 -4,-0.0 0.845 100.2 49.7 -57.9 -35.0 41.2 50.6 25.6 257 43 B F G << 0 0 47 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.402 360.0 360.0 -89.3 2.8 44.5 49.1 24.4 258 44 B I < 0 0 88 -3,-1.5 -3,-0.0 -4,-0.2 120,-0.0 -0.747 360.0 360.0 -89.7 360.0 46.6 51.4 26.8 259 ! 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 0.0 260 50 B Q 0 0 142 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -11.6 43.6 38.4 25.2 261 51 B V > + 0 0 41 1,-0.2 4,-2.7 2,-0.1 5,-0.2 0.112 360.0 116.7-121.8 23.8 40.7 40.5 24.0 262 52 B W H > S+ 0 0 26 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.882 82.5 54.5 -61.6 -36.1 38.8 38.7 21.2 263 53 B E H > S+ 0 0 123 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 110.6 45.7 -63.4 -39.3 35.7 38.6 23.4 264 54 B N H 4 S+ 0 0 75 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.944 115.9 46.9 -64.0 -47.7 35.9 42.4 23.9 265 55 B I H < S+ 0 0 7 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.943 117.8 39.6 -58.4 -51.0 36.5 42.9 20.2 266 56 B L H >< S+ 0 0 4 -4,-3.2 3,-2.8 1,-0.2 -1,-0.2 0.768 81.9 165.6 -77.8 -25.9 33.7 40.6 19.0 267 57 B R G >< S+ 0 0 151 -4,-1.8 3,-1.7 -5,-0.3 -1,-0.2 -0.199 74.1 7.8 52.5-118.3 31.3 41.7 21.7 268 58 B D G 3 S+ 0 0 121 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.742 132.4 57.4 -65.1 -20.7 27.8 40.5 20.6 269 59 B E G X S+ 0 0 49 -3,-2.8 3,-1.9 1,-0.2 4,-0.4 0.377 72.4 109.7 -90.2 2.7 29.3 38.5 17.7 270 60 B Y G X S+ 0 0 78 -3,-1.7 3,-1.4 1,-0.3 -1,-0.2 0.888 77.0 48.0 -51.2 -46.0 31.7 36.4 19.9 271 61 B D G 3 S+ 0 0 158 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.592 102.2 65.7 -73.7 -9.6 29.9 33.1 19.4 272 62 B K G < S+ 0 0 155 -3,-1.9 2,-0.4 -6,-0.1 -1,-0.3 0.503 95.5 70.0 -87.8 -7.5 29.7 33.5 15.6 273 63 B W S < S- 0 0 60 -3,-1.4 2,-1.0 -4,-0.4 3,-0.1 -0.911 73.5-133.1-123.1 140.1 33.5 33.3 15.1 274 64 B D > - 0 0 99 -2,-0.4 4,-1.9 1,-0.2 5,-0.1 -0.800 26.8-164.1 -81.6 105.7 36.2 30.7 15.3 275 65 B V H > S+ 0 0 34 -2,-1.0 4,-2.7 1,-0.2 5,-0.2 0.837 82.7 59.0 -66.8 -34.6 38.7 32.8 17.4 276 66 B S H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 108.8 46.2 -58.4 -43.8 41.7 30.5 16.6 277 67 B T H > S+ 0 0 51 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.891 110.2 52.5 -68.3 -40.1 41.2 31.2 12.9 278 68 B L H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.923 109.7 49.6 -58.9 -44.4 40.7 34.9 13.4 279 69 B Q H X S+ 0 0 67 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.940 111.1 49.3 -60.5 -46.0 44.0 35.0 15.4 280 70 B E H X S+ 0 0 119 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.919 113.5 45.9 -57.7 -47.1 45.8 33.1 12.6 281 71 B E H X S+ 0 0 70 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.867 112.0 51.0 -65.7 -38.8 44.4 35.5 9.9 282 72 B Y H X S+ 0 0 23 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.913 109.0 51.9 -64.9 -41.6 45.3 38.5 12.0 283 73 B N H X S+ 0 0 59 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.907 110.3 48.1 -59.4 -43.1 48.8 37.2 12.4 284 74 B T H X S+ 0 0 40 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.918 109.0 54.8 -62.9 -42.8 49.1 36.7 8.6 285 75 B Y H X S+ 0 0 22 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.905 107.7 48.5 -57.8 -44.5 47.7 40.3 8.1 286 76 B K H < S+ 0 0 66 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.837 109.5 52.9 -65.2 -36.0 50.5 41.7 10.4 287 77 B Q H < S+ 0 0 21 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.890 113.1 44.3 -62.8 -40.3 53.1 39.7 8.4 288 78 B N H < S+ 0 0 8 -4,-2.2 -253,-0.4 1,-0.2 -2,-0.2 0.610 119.6 43.4 -79.3 -12.7 51.7 41.2 5.2 289 79 B N S < S- 0 0 37 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.535 78.8-175.4-132.0 65.8 51.6 44.7 6.7 290 80 B P - 0 0 15 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.260 43.9 -86.8 -62.0 147.3 54.8 45.3 8.7 291 81 B L - 0 0 5 1,-0.1 2,-1.7 -5,-0.1 3,-0.2 -0.354 40.5-129.3 -52.4 125.2 55.1 48.5 10.7 292 82 B P >> + 0 0 22 0, 0.0 4,-1.7 0, 0.0 3,-1.1 -0.596 32.3 178.0 -82.8 82.3 56.5 51.2 8.2 293 83 B Y H 3> S+ 0 0 1 -2,-1.7 4,-1.7 1,-0.3 -64,-0.1 0.839 75.5 58.8 -57.0 -35.3 59.3 52.4 10.4 294 84 B K H 34 S+ 0 0 73 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.834 110.9 42.7 -63.2 -34.8 60.6 54.8 7.8 295 85 B E H <4 S+ 0 0 135 -3,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.776 117.6 45.2 -77.5 -31.4 57.2 56.5 7.8 296 86 B L H < S+ 0 0 32 -4,-1.7 -67,-2.9 2,-0.1 -2,-0.2 0.574 78.7 116.4 -97.7 -9.7 56.8 56.6 11.5 297 87 B I B < S-N 228 0D 33 -4,-1.7 -69,-0.3 -69,-0.2 -70,-0.1 -0.274 75.3-109.1 -56.4 139.9 60.2 57.7 12.8 298 88 B F > - 0 0 51 -71,-2.3 3,-1.6 1,-0.1 4,-0.3 -0.538 28.1-121.4 -68.4 142.9 60.0 61.1 14.6 299 89 B P T 3 S+ 0 0 133 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.592 107.7 50.0 -70.1 -8.1 61.6 63.7 12.4 300 90 B D T 3> S+ 0 0 24 1,-0.1 4,-2.9 2,-0.1 5,-0.3 0.384 80.8 99.1-105.8 3.2 64.3 64.7 15.0 301 91 B V H <> S+ 0 0 0 -3,-1.6 4,-2.7 1,-0.2 5,-0.3 0.947 85.9 40.0 -57.5 -57.6 65.5 61.2 15.9 302 92 B L H > S+ 0 0 69 -4,-0.3 4,-2.5 1,-0.2 5,-0.2 0.914 116.6 51.2 -63.8 -41.0 68.7 61.1 13.7 303 93 B K H > S+ 0 0 150 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.939 113.8 44.0 -57.5 -49.1 69.6 64.7 14.6 304 94 B V H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.947 114.9 46.8 -63.4 -50.8 69.2 64.1 18.3 305 95 B L H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.892 111.9 52.2 -58.8 -40.8 71.1 60.8 18.4 306 96 B N H X S+ 0 0 85 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.902 111.5 46.4 -61.7 -41.6 73.9 62.3 16.2 307 97 B E H X S+ 0 0 74 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.906 110.6 51.6 -68.7 -43.4 74.2 65.2 18.6 308 98 B V H <>S+ 0 0 0 -4,-2.6 5,-1.7 1,-0.2 3,-0.2 0.951 113.1 47.1 -55.5 -49.1 74.2 62.9 21.7 309 99 B K H ><5S+ 0 0 109 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.903 107.9 54.8 -59.6 -44.8 77.0 60.9 20.0 310 100 B S H 3<5S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.854 103.1 57.4 -57.5 -35.2 79.0 64.0 19.1 311 101 B Q T 3<5S- 0 0 85 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.457 120.0-112.1 -76.7 -3.6 78.9 65.0 22.8 312 102 B G T < 5 + 0 0 65 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.587 65.9 146.1 86.2 14.3 80.6 61.7 23.6 313 103 B L < - 0 0 21 -5,-1.7 -1,-0.3 1,-0.1 -95,-0.2 -0.537 50.1-118.0 -81.3 147.6 77.7 60.1 25.5 314 104 B E E -h 218 0C 74 -97,-2.6 -95,-2.2 -2,-0.2 2,-0.4 -0.526 30.0-152.0 -74.6 150.3 77.0 56.3 25.4 315 105 B I E -h 219 0C 0 -97,-0.2 25,-2.7 -2,-0.2 26,-1.2 -0.995 12.5-174.1-135.0 129.7 73.6 55.4 23.9 316 106 B G E -hj 220 341C 0 -97,-2.5 -95,-2.7 -2,-0.4 2,-0.4 -0.869 11.9-152.0-118.9 152.8 71.4 52.4 24.6 317 107 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