==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 07-JUN-10 3NDH . COMPND 2 MOLECULE: RESTRICTION ENDONUCLEASE THAI; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR M.FIRCZUK,M.WOJCIECHOWSKI,H.CZAPINSKA,M.BOCHTLER . 422 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 14.2 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 . 4 0.9 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 . 29 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 32.5 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 2 0 0 1 1 3 2 2 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 8 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 -4 A H > 0 0 194 0, 0.0 3,-1.5 0, 0.0 64,-0.0 0.000 360.0 360.0 360.0 176.4 -7.0 -11.2 7.2 2 -3 A H T 3 + 0 0 175 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.406 360.0 56.6 -81.6 3.5 -3.8 -11.0 5.1 3 -2 A H T 3 S+ 0 0 64 2,-0.1 -1,-0.3 419,-0.0 2,-0.1 0.266 81.0 116.4-112.7 15.3 -1.8 -8.9 7.6 4 -1 A H S < S- 0 0 80 -3,-1.5 2,-0.2 1,-0.1 59,-0.2 -0.471 76.4-107.2 -77.5 146.4 -2.2 -11.4 10.4 5 0 A E 0 0 11 57,-2.6 -1,-0.1 56,-0.2 -2,-0.1 -0.560 360.0 360.0 -65.0 134.6 0.8 -13.1 11.9 6 1 A F 0 0 233 -2,-0.2 -1,-0.1 -3,-0.0 57,-0.0 -0.540 360.0 360.0 -70.5 360.0 0.6 -16.7 10.7 7 ! 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 8 9 A D > 0 0 92 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 107.0 -0.6 -15.0 29.8 9 10 A H H > + 0 0 76 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.850 360.0 54.6 -66.1 -35.9 -0.9 -13.6 26.3 10 11 A L H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.874 105.3 53.5 -67.9 -35.8 1.8 -11.1 26.8 11 12 A K H > S+ 0 0 83 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.948 108.8 50.0 -57.5 -47.2 4.2 -13.8 27.8 12 13 A D H X S+ 0 0 80 -4,-1.9 4,-0.9 1,-0.2 3,-0.3 0.894 110.2 50.7 -60.0 -40.6 3.3 -15.6 24.6 13 14 A L H >< S+ 0 0 4 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.935 110.9 47.8 -60.5 -48.0 4.0 -12.3 22.7 14 15 A F H 3< S+ 0 0 10 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.665 114.6 45.4 -72.7 -17.5 7.4 -11.8 24.2 15 16 A R H 3< S+ 0 0 143 -4,-1.3 2,-0.5 -3,-0.3 -1,-0.2 0.514 82.1 113.5-101.0 -8.3 8.5 -15.4 23.6 16 17 A D S+ 0 0 160 -2,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.832 95.3 50.2 -60.2 -37.9 10.5 -15.9 17.9 18 19 A L H > S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.918 111.4 48.6 -68.1 -42.7 8.9 -14.1 14.9 19 20 A I H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.927 110.8 51.1 -60.3 -46.4 7.8 -11.2 17.1 20 21 A I H X S+ 0 0 16 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.944 113.0 45.6 -56.2 -47.3 11.2 -11.0 18.7 21 22 A D H X S+ 0 0 65 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.889 114.2 47.5 -67.1 -39.5 12.8 -10.8 15.2 22 23 A K H X S+ 0 0 11 -4,-2.6 4,-2.8 2,-0.2 5,-0.5 0.905 113.9 46.8 -68.4 -41.9 10.4 -8.3 13.9 23 24 A V H X S+ 0 0 2 -4,-2.8 4,-2.1 3,-0.2 -2,-0.2 0.947 114.6 46.9 -63.9 -47.5 10.7 -6.0 16.9 24 25 A Q H < S+ 0 0 80 -4,-2.6 170,-0.3 -5,-0.3 -2,-0.2 0.882 121.4 37.0 -63.1 -39.9 14.5 -6.2 16.9 25 26 A R H < S+ 0 0 121 -4,-2.1 4,-0.2 -5,-0.2 -1,-0.2 0.842 132.7 19.1 -80.5 -35.1 14.7 -5.5 13.2 26 27 A R H X S+ 0 0 103 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.604 93.7 85.7-120.0 -16.9 11.8 -3.0 12.7 27 28 A L H X S+ 0 0 2 -4,-2.1 4,-2.7 -5,-0.5 5,-0.2 0.920 94.1 52.8 -58.5 -41.4 10.7 -1.3 15.9 28 29 A P H > S+ 0 0 6 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.951 109.8 48.2 -56.4 -46.6 13.4 1.4 15.5 29 30 A Y H > S+ 0 0 79 -4,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.933 113.2 47.1 -56.0 -49.0 12.3 2.2 12.0 30 31 A M H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.917 112.9 48.8 -61.9 -43.8 8.6 2.4 13.0 31 32 A F H X S+ 0 0 1 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.818 107.8 55.4 -67.4 -28.4 9.5 4.6 16.0 32 33 A Q H X S+ 0 0 12 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.897 106.5 50.1 -69.0 -40.0 11.6 6.8 13.7 33 34 A L H X S+ 0 0 10 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.928 109.5 53.3 -60.7 -42.6 8.6 7.3 11.4 34 35 A A H < S+ 0 0 0 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.935 110.6 45.3 -58.4 -45.7 6.6 8.3 14.6 35 36 A E H >< S+ 0 0 23 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.906 107.9 56.9 -67.6 -36.9 9.2 10.9 15.5 36 37 A L H 3< S+ 0 0 34 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.780 111.7 44.6 -62.6 -24.7 9.4 12.3 12.0 37 38 A E T 3< S+ 0 0 40 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.381 114.9 48.8 -97.0 2.0 5.6 12.8 12.2 38 39 A S S < S+ 0 0 7 -3,-1.5 7,-3.0 -4,-0.3 10,-0.3 -0.094 95.5 84.1-135.6 33.3 5.7 14.3 15.7 39 40 A S E -A 44 0A 24 -3,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.698 50.3-156.5-128.4 174.1 8.5 16.9 15.6 40 41 A R E > S-A 43 0A 18 3,-1.7 3,-1.6 -2,-0.2 244,-1.1 -0.855 86.0 -0.9-153.8 134.5 9.2 20.5 14.7 41 42 A A T 3 S- 0 0 45 -2,-0.3 3,-0.1 1,-0.2 240,-0.1 0.834 130.9 -61.2 52.3 35.3 12.7 21.8 13.8 42 43 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 -6,-0.1 -1,-0.2 0.555 110.4 122.9 73.0 8.7 13.9 18.2 14.5 43 44 A K E < -A 40 0A 124 -3,-1.6 -3,-1.7 239,-0.1 2,-0.3 -0.902 61.5-125.5-105.1 133.4 12.8 18.3 18.1 44 45 A V E -A 39 0A 58 -2,-0.4 -5,-0.2 -5,-0.2 2,-0.2 -0.570 18.1-139.1 -86.7 131.4 10.4 15.6 19.2 45 46 A G > - 0 0 4 -7,-3.0 3,-2.1 -2,-0.3 4,-0.2 -0.508 23.2-115.3 -83.3 154.9 7.1 16.5 20.8 46 47 A M T > S+ 0 0 117 1,-0.3 3,-2.2 -2,-0.2 4,-0.3 0.833 110.8 74.7 -54.9 -30.6 5.6 14.7 23.8 47 48 A E T >> S+ 0 0 40 1,-0.3 4,-1.2 2,-0.2 3,-1.1 0.612 70.5 85.2 -66.1 -11.5 2.7 13.7 21.5 48 49 A V H <> S+ 0 0 6 -3,-2.1 4,-2.7 -10,-0.3 -1,-0.3 0.832 80.6 66.1 -52.4 -32.6 5.1 11.2 19.8 49 50 A G H <> S+ 0 0 21 -3,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.853 95.1 54.5 -59.6 -35.1 4.0 8.9 22.7 50 51 A S H <> S+ 0 0 39 -3,-1.1 4,-1.3 -4,-0.3 -1,-0.2 0.894 111.9 43.8 -69.4 -36.1 0.5 8.7 21.3 51 52 A L H X S+ 0 0 18 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.907 111.1 52.8 -74.9 -41.6 1.7 7.6 18.0 52 53 A R H X S+ 0 0 16 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.896 105.4 57.9 -57.2 -38.3 4.3 5.1 19.4 53 54 A E H X S+ 0 0 23 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.919 102.1 53.4 -60.0 -42.6 1.3 3.7 21.4 54 55 A R H X S+ 0 0 25 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.888 107.4 52.0 -56.4 -41.3 -0.6 3.0 18.1 55 56 A I H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.900 111.6 45.6 -63.5 -42.9 2.5 1.1 16.9 56 57 A I H X S+ 0 0 5 -4,-2.0 4,-1.6 2,-0.2 3,-0.3 0.931 112.1 50.3 -70.6 -43.2 2.6 -1.1 20.0 57 58 A S H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.884 108.1 55.6 -58.6 -36.2 -1.2 -1.7 19.9 58 59 A S H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.812 100.8 57.4 -67.6 -30.6 -0.8 -2.7 16.3 59 60 A L H X S+ 0 0 13 -4,-1.4 4,-2.0 -3,-0.3 -1,-0.2 0.908 107.1 49.1 -62.4 -41.9 1.8 -5.3 17.2 60 61 A L H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 5,-0.4 0.924 111.3 48.6 -63.5 -43.7 -0.8 -6.8 19.5 61 62 A I H X S+ 0 0 21 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.935 108.5 55.8 -60.8 -43.1 -3.4 -6.8 16.6 62 63 A Y H < S+ 0 0 9 -4,-2.8 -57,-2.6 1,-0.2 -2,-0.2 0.923 118.2 31.8 -53.7 -50.4 -0.8 -8.3 14.3 63 64 A K H < S+ 0 0 46 -4,-2.0 -2,-0.2 -59,-0.2 -1,-0.2 0.916 132.1 27.7 -75.4 -46.5 -0.2 -11.3 16.6 64 65 A F H < S- 0 0 21 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.630 106.6-110.1-101.1 -13.2 -3.6 -11.8 18.2 65 66 A G >< - 0 0 16 -4,-2.4 3,-1.5 -5,-0.4 4,-0.4 0.189 27.0 -90.6 93.6 146.6 -6.1 -10.5 15.7 66 67 A E G > S+ 0 0 114 1,-0.3 3,-1.2 2,-0.2 5,-0.1 0.846 122.4 63.9 -59.1 -34.4 -8.4 -7.4 15.7 67 68 A K G 3 S+ 0 0 180 1,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.766 106.9 43.8 -60.1 -24.2 -11.2 -9.4 17.3 68 69 A N G < S+ 0 0 56 -3,-1.5 17,-3.1 -7,-0.1 2,-0.5 0.351 102.2 71.3-107.4 3.4 -9.0 -9.9 20.4 69 70 A V E < -B 84 0B 9 -3,-1.2 2,-0.8 -4,-0.4 15,-0.2 -0.987 65.2-156.3-123.9 120.7 -7.5 -6.4 20.9 70 71 A E E +B 83 0B 53 13,-2.5 13,-1.8 -2,-0.5 -3,-0.1 -0.875 23.7 162.3-101.9 108.9 -9.8 -3.6 22.0 71 72 A T + 0 0 33 -2,-0.8 2,-1.7 11,-0.2 179,-0.2 0.428 46.1 103.9-100.4 -3.3 -8.4 -0.2 20.9 72 73 A D + 0 0 115 177,-0.1 -1,-0.1 178,-0.1 10,-0.1 -0.265 44.9 130.4 -84.2 52.6 -11.7 1.7 21.4 73 74 A L - 0 0 9 -2,-1.7 179,-0.2 8,-0.3 178,-0.1 -0.877 68.3-100.5-103.7 135.2 -10.7 3.4 24.7 74 75 A P > - 0 0 50 0, 0.0 3,-2.1 0, 0.0 176,-0.2 -0.265 31.1-121.0 -55.7 143.6 -11.3 7.2 25.0 75 76 A I T 3 S+ 0 0 33 174,-1.2 175,-0.1 1,-0.3 179,-0.0 0.739 110.7 51.5 -65.4 -22.7 -8.0 9.0 24.4 76 77 A T T 3 S+ 0 0 115 173,-0.2 -1,-0.3 2,-0.1 3,-0.0 0.301 77.0 132.0 -96.9 10.4 -8.2 10.7 27.9 77 78 A E < - 0 0 81 -3,-2.1 2,-0.2 1,-0.1 -4,-0.0 -0.408 65.3-111.2 -58.8 127.2 -8.7 7.4 29.8 78 79 A P S S- 0 0 85 0, 0.0 2,-2.4 0, 0.0 -1,-0.1 -0.479 78.2 -28.0 -62.6 128.8 -6.3 7.2 32.8 79 80 A E S S+ 0 0 40 -2,-0.2 12,-0.4 25,-0.1 2,-0.4 -0.276 108.9 97.0 72.5 -58.6 -3.6 4.6 32.4 80 81 A I + 0 0 18 -2,-2.4 10,-0.2 1,-0.2 3,-0.1 -0.547 36.4 165.5 -76.7 125.9 -5.2 2.0 30.2 81 82 A D - 0 0 21 8,-2.7 -8,-0.3 1,-0.4 2,-0.3 0.679 64.7 -3.4-107.5 -25.6 -4.4 2.3 26.6 82 83 A V E - C 0 89B 0 7,-1.3 7,-2.7 -10,-0.1 -1,-0.4 -0.961 60.0-132.8-163.5 155.3 -5.5 -1.0 25.1 83 84 A K E -BC 70 88B 80 -13,-1.8 -13,-2.5 -2,-0.3 2,-0.5 -0.973 9.3-157.9-122.1 146.8 -7.1 -4.3 26.1 84 85 A L E > S-BC 69 87B 6 3,-2.3 3,-2.2 -2,-0.4 -15,-0.2 -0.987 84.4 -17.6-126.4 115.5 -6.0 -7.7 25.1 85 86 A F T 3 S- 0 0 87 -17,-3.1 -1,-0.1 -2,-0.5 -16,-0.1 0.867 131.8 -53.5 47.8 40.5 -8.6 -10.4 25.4 86 87 A G T 3 S+ 0 0 45 -18,-0.3 -1,-0.3 1,-0.2 -17,-0.1 0.312 112.5 124.0 83.8 -6.1 -10.3 -7.9 27.7 87 88 A S E < -C 84 0B 56 -3,-2.2 -3,-2.3 1,-0.1 -1,-0.2 -0.772 62.4-120.4 -94.3 127.0 -7.3 -7.4 30.0 88 89 A P E -C 83 0B 33 0, 0.0 37,-0.7 0, 0.0 2,-0.4 -0.327 27.3-168.5 -72.6 143.7 -6.1 -3.8 30.3 89 90 A I E -Cd 82 125B 2 -7,-2.7 -8,-2.7 35,-0.1 -7,-1.3 -0.996 12.5-151.2-132.1 133.6 -2.6 -2.7 29.3 90 91 A S E - d 0 126B 8 35,-2.7 37,-2.6 -2,-0.4 2,-0.4 -0.880 15.2-159.1 -95.7 131.9 -0.7 0.5 30.0 91 92 A I E + d 0 127B 10 -2,-0.4 2,-0.4 -12,-0.4 37,-0.2 -0.955 12.8 177.4-112.7 132.6 1.9 1.4 27.4 92 93 A K E - d 0 128B 35 35,-2.6 37,-2.9 -2,-0.4 2,-0.4 -0.998 9.9-165.7-136.5 142.0 4.7 3.8 28.2 93 94 A T E + d 0 129B 29 -2,-0.4 2,-0.3 35,-0.2 37,-0.2 -0.961 10.7 172.4-127.5 146.4 7.6 5.1 26.1 94 95 A I E - d 0 130B 34 35,-2.1 37,-3.1 -2,-0.4 2,-0.4 -0.978 19.6-144.6-157.4 134.9 10.8 6.9 27.3 95 96 A T E + d 0 131B 71 -2,-0.3 2,-0.2 35,-0.2 37,-0.2 -0.870 48.4 84.2-104.5 137.2 14.0 7.9 25.7 96 97 A G S S- 0 0 23 35,-2.5 -2,-0.1 -2,-0.4 0, 0.0 -0.805 85.9 -79.0 155.3 167.4 17.4 8.0 27.5 97 98 A K S S+ 0 0 166 1,-0.3 -1,-0.1 -2,-0.2 39,-0.0 0.904 124.3 3.5 -57.3 -45.5 20.4 5.9 28.6 98 99 A E S S- 0 0 119 -3,-0.1 -1,-0.3 33,-0.0 -3,-0.1 -0.982 99.2 -92.1-132.2 151.5 18.2 4.6 31.3 99 100 A P + 0 0 13 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.345 53.7 169.3 -57.9 136.0 14.5 5.4 31.8 100 101 A A + 0 0 51 -5,-0.2 -5,-0.1 79,-0.1 75,-0.1 -0.987 50.0 13.3-149.4 149.5 13.9 8.4 34.1 101 102 A G S S+ 0 0 17 -2,-0.3 2,-0.1 73,-0.2 74,-0.1 0.679 71.2 175.1 61.4 28.5 11.0 10.6 35.1 102 103 A V - 0 0 11 72,-0.2 72,-2.5 1,-0.1 2,-0.3 -0.419 27.1-122.6 -71.7 133.7 8.2 8.4 33.7 103 104 A K E -G 173 0C 38 70,-0.2 70,-0.3 -2,-0.1 3,-0.1 -0.575 26.7-175.4 -87.6 142.1 4.7 9.7 34.5 104 105 A L E S+ 0 0 21 68,-3.1 2,-0.3 1,-0.4 69,-0.2 0.700 85.0 2.9 -95.2 -29.5 1.9 7.9 36.3 105 106 A I E -G 172 0C 48 67,-1.3 67,-2.2 2,-0.1 -1,-0.4 -0.962 68.9-127.3-155.4 146.6 -0.6 10.7 35.8 106 107 A W + 0 0 120 -2,-0.3 2,-0.4 65,-0.2 65,-0.1 -0.048 66.3 127.2 -92.9 38.6 -0.3 14.0 33.9 107 108 A T + 0 0 4 1,-0.1 -2,-0.1 65,-0.1 -3,-0.1 -0.790 27.5 168.4-101.4 126.6 -1.5 16.1 36.9 108 109 A V + 0 0 13 -2,-0.4 -1,-0.1 270,-0.3 63,-0.1 0.670 41.8 113.5-107.6 -28.2 0.6 19.0 38.2 109 110 A D > - 0 0 11 269,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.197 67.0-136.7 -47.8 129.2 -1.9 20.7 40.5 110 111 A A H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.895 98.9 46.4 -63.4 -44.6 -0.4 20.2 44.0 111 112 A T H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.947 115.8 44.6 -64.1 -50.0 -3.6 19.2 45.8 112 113 A K H > S+ 0 0 72 264,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.880 111.6 54.6 -63.9 -37.5 -4.7 16.7 43.1 113 114 A A H X S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.909 108.9 47.4 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S+ 0 0 178 -3,-0.9 2,-0.9 -4,-0.5 -2,-0.2 0.419 85.7 98.4-121.9 -7.5 -8.3 40.2 1.8 225 17 B D X - 0 0 49 -4,-1.2 4,-2.6 1,-0.2 5,-0.2 -0.787 57.5-159.5 -90.5 104.6 -7.5 37.9 -1.2 226 18 B R H > S+ 0 0 169 -2,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.821 86.8 53.2 -51.9 -38.4 -10.9 36.6 -2.3 227 19 B L H > S+ 0 0 116 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.939 112.0 41.9 -71.7 -45.2 -9.4 33.6 -4.2 228 20 B I H > S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.904 111.6 57.4 -66.3 -38.0 -7.4 32.3 -1.2 229 21 B I H X S+ 0 0 28 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.919 105.0 51.8 -56.0 -43.6 -10.3 33.0 1.1 230 22 B D H X S+ 0 0 46 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.930 109.6 48.0 -59.9 -46.1 -12.5 30.8 -1.1 231 23 B K H X S+ 0 0 31 -4,-1.8 4,-2.1 2,-0.2 5,-0.3 0.918 111.8 51.1 -61.9 -41.6 -10.0 27.9 -1.0 232 24 B V H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.952 111.4 47.2 -60.6 -46.6 -9.8 28.3 2.8 233 25 B Q H < S+ 0 0 67 -4,-2.8 170,-0.2 1,-0.2 -1,-0.2 0.859 117.9 42.2 -64.1 -35.1 -13.6 28.2 3.2 234 26 B R H < S+ 0 0 171 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-0.889 47.8 84.2-106.7 134.4 -13.7 24.1 19.4 305 97 B G S S- 0 0 23 35,-2.6 -2,-0.1 -2,-0.4 0, 0.0 -0.863 86.8 -77.8 160.9 174.2 -17.0 25.2 20.8 306 98 B K S S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.3 39,-0.1 0.904 124.2 3.6 -62.6 -40.5 -20.0 27.4 20.2 307 99 B E S S- 0 0 120 -3,-0.1 -1,-0.3 33,-0.0 -3,-0.1 -0.975 99.3 -90.1-134.1 152.7 -17.7 30.3 21.2 308 100 B P + 0 0 13 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.380 54.4 171.6 -60.1 135.2 -14.0 30.1 22.1 309 101 B A + 0 0 55 -5,-0.2 -5,-0.1 1,-0.1 75,-0.1 -0.993 50.2 8.8-148.9 143.0 -13.5 29.5 25.8 310 102 B G S S+ 0 0 15 -2,-0.3 2,-0.2 73,-0.2 74,-0.1 0.753 71.9 177.3 63.0 32.8 -10.6 28.7 28.2 311 103 B V - 0 0 13 72,-0.2 72,-2.5 1,-0.1 2,-0.2 -0.460 25.5-122.4 -72.2 134.4 -7.8 29.2 25.5 312 104 B K E -O 382 0F 40 70,-0.2 70,-0.3 -2,-0.2 3,-0.1 -0.566 27.1-176.6 -88.2 141.0 -4.2 28.8 27.0 313 105 B L E S+ 0 0 21 68,-3.1 2,-0.3 1,-0.4 69,-0.2 0.677 84.7 4.7 -94.5 -29.0 -1.4 31.4 26.9 314 106 B I E -O 381 0F 45 67,-1.3 67,-2.4 2,-0.1 -1,-0.4 -0.964 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