==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-DEC-11 3V7P . COMPND 2 MOLECULE: AMIDOHYDROLASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NITRATIRUPTOR SP. SB155-2; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,B.HILLERICH,R.D.SEIDEL,E.WASHIN . 409 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 305 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 8.6 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 41 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 0 0 3 2 1 3 0 1 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 1 2 1 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 . 3 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 1 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 58 0, 0.0 43,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 139.8 -3.8 -3.3 20.6 2 2 A R E -Ab 23 44A 70 21,-2.5 21,-2.7 41,-0.2 2,-0.4 -0.953 360.0-152.6-133.3 150.9 -2.0 -2.8 23.9 3 3 A I E -Ab 22 45A 1 41,-1.8 43,-2.7 -2,-0.3 2,-0.5 -0.997 11.3-168.6-120.5 129.3 -2.8 -0.9 27.1 4 4 A I E -Ab 21 46A 0 17,-2.4 17,-2.3 -2,-0.4 43,-0.2 -0.985 5.0-167.6-117.5 127.3 -0.0 0.4 29.3 5 5 A K E + b 0 47A 18 41,-3.0 43,-3.1 -2,-0.5 15,-0.2 -0.900 18.0 175.6-110.1 98.8 -0.8 1.7 32.8 6 6 A P E - b 0 48A 0 0, 0.0 43,-0.3 0, 0.0 12,-0.2 -0.429 48.1-101.3 -91.0 177.8 2.3 3.5 34.1 7 7 A F E S- 0 0 60 44,-2.4 11,-0.5 41,-1.0 2,-0.3 0.908 102.5 -12.7 -60.7 -43.6 2.7 5.4 37.4 8 8 A A E -Cb 17 52A 1 43,-0.8 45,-2.1 9,-0.2 2,-0.4 -0.980 61.5-132.9-155.7 158.5 2.3 8.6 35.3 9 9 A I E -Cb 16 53A 0 7,-2.4 7,-2.7 -2,-0.3 2,-0.6 -0.951 9.3-153.2-113.0 130.8 2.3 9.9 31.7 10 10 A L E -C 15 0A 0 43,-2.7 5,-0.2 -2,-0.4 3,-0.1 -0.956 10.3-173.1 -99.8 114.0 4.3 13.0 30.7 11 11 A T - 0 0 10 3,-2.7 347,-2.4 -2,-0.6 -1,-0.1 0.596 54.2-111.1 -72.2 -24.5 2.3 14.2 27.7 12 12 A P S S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 329,-0.1 -0.998 109.8 47.1 -90.8 -12.9 4.8 16.0 27.7 13 13 A Q S S+ 0 0 59 -3,-0.1 2,-0.3 328,-0.1 328,-0.1 0.641 118.3 32.1 -69.6 -21.4 3.0 19.2 28.7 14 14 A T S S- 0 0 68 2,-0.0 -3,-2.7 0, 0.0 2,-0.6 -0.949 73.4-125.8-134.9 157.4 1.1 17.7 31.5 15 15 A I E -C 10 0A 35 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.923 27.6-168.5-102.7 117.7 1.5 15.0 34.1 16 16 A I E -C 9 0A 39 -7,-2.7 -7,-2.4 -2,-0.6 2,-0.3 -0.945 6.3-179.7-108.6 125.5 -1.4 12.5 34.0 17 17 A Q E +C 8 0A 85 -2,-0.5 -9,-0.2 -9,-0.2 -10,-0.1 -0.773 63.5 31.5-112.5 163.4 -1.8 9.9 36.9 18 18 A D S S+ 0 0 126 -11,-0.5 2,-0.3 -2,-0.3 15,-0.2 0.648 99.4 99.7 65.5 14.7 -4.5 7.2 37.2 19 19 A K - 0 0 82 -3,-0.2 13,-0.2 -13,-0.2 2,-0.2 -0.962 54.5-154.4-130.6 156.8 -4.8 6.8 33.4 20 20 A A E - D 0 31A 0 11,-3.1 11,-1.6 -2,-0.3 2,-0.5 -0.648 17.3-121.7-118.4 169.6 -3.5 4.3 30.9 21 21 A V E -AD 4 30A 0 -17,-2.3 -17,-2.4 -2,-0.2 2,-0.5 -0.984 13.5-157.6-120.6 128.3 -2.8 4.5 27.2 22 22 A A E +AD 3 29A 0 7,-2.7 6,-2.7 -2,-0.5 7,-1.5 -0.879 29.5 160.4-100.5 129.5 -4.4 2.2 24.6 23 23 A F E +AD 2 27A 1 -21,-2.7 -21,-2.5 -2,-0.5 4,-0.2 -0.999 29.3 163.7-151.2 152.7 -2.3 2.0 21.4 24 24 A D S S- 0 0 96 2,-2.4 340,-0.1 -2,-0.3 3,-0.1 0.182 92.8 -28.3-126.8-101.2 -1.7 0.0 18.3 25 25 A K S S+ 0 0 76 374,-0.1 339,-2.8 338,-0.1 2,-0.3 0.864 142.1 31.5 -78.4 -41.3 0.2 2.0 15.5 26 26 A K B S-H 363 0B 63 337,-0.3 -2,-2.4 372,-0.1 2,-0.6 -0.722 99.8 -93.4-109.3 160.7 -1.3 5.1 16.9 27 27 A I E -D 23 0A 1 335,-2.9 334,-3.0 332,-0.3 -4,-0.3 -0.676 43.9-180.0 -69.1 118.1 -2.4 6.3 20.4 28 28 A E E - 0 0 79 -6,-2.7 2,-0.3 -2,-0.6 -5,-0.2 0.767 54.9 -7.7 -97.7 -32.1 -6.0 5.4 20.4 29 29 A A E -D 22 0A 10 -7,-1.5 -7,-2.7 2,-0.1 2,-0.4 -0.973 44.3-152.7-164.8 151.0 -7.3 6.5 23.8 30 30 A I E +D 21 0A 39 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.977 49.8 111.6-130.4 115.4 -6.1 7.8 27.2 31 31 A D E S-D 20 0A 33 -11,-1.6 -11,-3.1 -2,-0.4 -2,-0.1 -0.948 70.2 -53.1-167.1 176.9 -8.4 6.8 30.0 32 32 A T > - 0 0 39 -2,-0.3 4,-2.7 -13,-0.2 5,-0.2 -0.315 53.2-114.7 -62.8 153.5 -8.7 4.8 33.2 33 33 A V H > S+ 0 0 25 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.924 117.4 57.6 -56.6 -43.1 -7.9 1.1 32.7 34 34 A E H > S+ 0 0 130 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.908 110.8 41.5 -55.5 -43.5 -11.5 0.3 33.5 35 35 A N H > S+ 0 0 63 -3,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.894 113.0 54.7 -70.4 -38.8 -12.8 2.5 30.7 36 36 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.887 103.7 52.6 -65.2 -38.9 -10.1 1.3 28.2 37 37 A I H < S+ 0 0 80 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.846 104.7 57.0 -70.9 -27.8 -10.8 -2.4 28.6 38 38 A K H < S+ 0 0 168 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.885 116.5 36.6 -59.8 -39.7 -14.5 -1.7 27.8 39 39 A K H < S+ 0 0 108 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.798 129.2 32.4 -83.0 -31.4 -13.4 -0.1 24.5 40 40 A Y >< + 0 0 44 -4,-2.7 3,-2.1 -5,-0.2 -1,-0.2 -0.583 62.0 164.0-130.2 70.2 -10.5 -2.4 23.8 41 41 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.702 77.5 59.2 -63.6 -19.7 -11.4 -5.9 25.1 42 42 A N T 3 S+ 0 0 117 -3,-0.1 2,-0.7 2,-0.1 -5,-0.1 0.417 85.6 93.4 -87.0 1.2 -8.6 -7.4 22.9 43 43 A A S < S- 0 0 8 -3,-2.1 -41,-0.2 -6,-0.1 2,-0.1 -0.848 70.7-140.3-100.4 115.8 -5.8 -5.3 24.6 44 44 A A E -b 2 0A 82 -2,-0.7 -41,-1.8 -43,-0.5 2,-0.5 -0.481 22.9-121.5 -66.1 143.1 -4.0 -6.9 27.5 45 45 A V E -b 3 0A 47 -43,-0.1 2,-0.6 -2,-0.1 -41,-0.2 -0.778 21.7-161.2 -90.3 124.4 -3.3 -4.5 30.3 46 46 A E E -b 4 0A 44 -43,-2.7 -41,-3.0 -2,-0.5 2,-0.6 -0.936 7.2-152.6-103.7 119.7 0.3 -4.1 31.2 47 47 A H E +b 5 0A 117 -2,-0.6 2,-0.2 -43,-0.2 3,-0.1 -0.834 23.1 166.8 -95.9 120.6 0.9 -2.5 34.6 48 48 A D E > +b 6 0A 31 -43,-3.1 3,-1.5 -2,-0.6 -41,-1.0 -0.586 8.1 159.6-128.2 66.6 4.1 -0.6 35.0 49 49 A E E 3 S+ 0 0 77 1,-0.3 -1,-0.1 -43,-0.3 -2,-0.0 0.504 74.8 54.3 -76.4 -6.4 3.5 1.2 38.3 50 50 A N E 3 S+ 0 0 124 -3,-0.1 321,-2.6 -43,-0.0 -1,-0.3 0.008 105.0 72.4-107.9 26.1 7.2 1.8 38.8 51 51 A S E < - E 0 370A 4 -3,-1.5 -44,-2.4 319,-0.3 -43,-0.8 -0.896 67.1-138.4-137.6 163.0 7.6 3.4 35.4 52 52 A L E -bE 8 369A 0 317,-2.6 317,-2.5 -2,-0.3 2,-0.5 -0.950 12.3-145.3-119.4 144.5 6.8 6.6 33.5 53 53 A L E +bE 9 368A 0 -45,-2.1 -43,-2.7 -2,-0.4 315,-0.2 -0.933 30.5 154.6-106.1 131.5 5.5 6.9 29.9 54 54 A L E - E 0 367A 0 313,-2.1 313,-3.0 -2,-0.5 -43,-0.1 -0.932 47.1 -82.0-143.4 168.6 6.7 9.8 27.8 55 55 A P E - E 0 366A 0 0, 0.0 311,-0.3 0, 0.0 303,-0.1 -0.375 50.3 -99.5 -67.3 153.7 7.0 10.5 24.1 56 56 A G - 0 0 0 309,-2.0 57,-0.2 340,-0.2 2,-0.1 -0.387 48.8-105.5 -56.7 146.9 10.2 9.3 22.2 57 57 A F E -i 113 0C 0 55,-2.6 57,-2.6 -3,-0.1 58,-1.6 -0.475 20.6-140.5 -72.8 152.6 12.6 12.1 21.7 58 58 A A E -i 115 0C 0 285,-2.3 58,-0.2 56,-0.2 245,-0.2 -0.927 11.6-169.8-102.7 137.8 13.2 13.9 18.5 59 59 A N E -i 116 0C 0 56,-2.7 58,-2.2 -2,-0.4 245,-0.2 -0.847 7.4-176.7-122.2 89.6 16.9 14.7 17.8 60 60 A P E + 0 0 0 0, 0.0 2,-0.3 0, 0.0 244,-0.1 0.353 61.8 46.7 -79.1 9.9 16.5 17.0 14.8 61 61 A H E + 0 0 0 242,-0.1 245,-2.2 245,-0.1 244,-0.3 -0.767 62.0 131.8-154.9 103.0 20.2 17.6 14.1 62 62 A L E -i 118 0C 0 55,-2.0 57,-3.1 -2,-0.3 2,-0.8 -0.994 43.3-137.1-148.6 153.6 23.1 15.1 13.9 63 63 A H > + 0 0 20 -2,-0.3 3,-1.3 55,-0.2 245,-0.4 -0.816 23.3 178.8-109.7 88.8 26.0 14.3 11.6 64 64 A L G > S+ 0 0 0 -2,-0.8 3,-1.8 55,-0.3 -1,-0.2 0.775 71.3 68.6 -63.7 -30.1 26.0 10.5 11.3 65 65 A E G 3 S+ 0 0 3 54,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.743 98.3 54.3 -66.9 -18.8 28.9 10.2 8.9 66 66 A F G X S+ 0 0 14 -3,-1.3 3,-1.9 1,-0.2 -1,-0.3 0.110 70.3 119.2 -98.0 20.0 31.3 11.4 11.6 67 67 A S T < + 0 0 11 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.562 61.7 69.0 -68.5 -7.8 30.2 8.8 14.2 68 68 A A T 3 S+ 0 0 34 -3,-0.3 -1,-0.3 24,-0.2 2,-0.2 0.627 75.4 110.8 -81.0 -13.6 33.8 7.3 14.4 69 69 A N < + 0 0 9 -3,-1.9 242,-0.1 1,-0.2 241,-0.1 -0.436 22.6 142.6 -70.4 131.6 35.1 10.5 16.2 70 70 A K S S- 0 0 187 -2,-0.2 -1,-0.2 239,-0.1 241,-0.0 0.530 87.1 -14.7-123.8 -61.1 36.1 10.2 19.8 71 71 A A S S+ 0 0 90 3,-0.0 4,-0.1 1,-0.0 -2,-0.1 0.124 109.0 94.7-134.3 24.1 39.1 12.4 20.3 72 72 A T + 0 0 65 2,-0.1 2,-0.1 16,-0.0 237,-0.1 0.919 69.7 70.1 -86.1 -44.3 40.4 13.1 16.8 73 73 A L S S- 0 0 8 1,-0.1 2,-0.7 15,-0.1 8,-0.1 -0.382 92.2-104.8 -76.8 154.1 38.7 16.5 16.0 74 74 A Q - 0 0 107 6,-0.3 3,-0.3 7,-0.3 2,-0.2 -0.726 38.0-164.7 -86.3 114.0 39.9 19.6 17.9 75 75 A Y + 0 0 63 -2,-0.7 211,-0.2 1,-0.2 210,-0.1 -0.485 57.7 49.0 -91.0 163.2 37.6 20.8 20.6 76 76 A G S S+ 0 0 46 209,-2.8 2,-0.3 -2,-0.2 210,-0.2 0.060 103.5 48.7 109.5 -22.3 37.6 24.2 22.4 77 77 A D S > S- 0 0 74 -3,-0.3 4,-1.9 208,-0.1 210,-0.2 -0.973 70.8-138.5-159.2 126.8 37.7 26.7 19.5 78 78 A F H > S+ 0 0 6 208,-0.4 4,-2.6 -2,-0.3 5,-0.1 0.880 97.9 47.0 -68.1 -46.0 35.6 26.7 16.4 79 79 A I H > S+ 0 0 15 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.960 114.3 48.4 -66.2 -43.9 38.1 27.6 13.6 80 80 A P H > S+ 0 0 47 0, 0.0 4,-2.0 0, 0.0 -6,-0.3 0.900 110.8 52.6 -59.3 -36.0 40.6 25.0 14.9 81 81 A W H X S+ 0 0 31 -4,-1.9 4,-2.0 2,-0.2 -7,-0.3 0.953 109.0 49.0 -60.5 -48.6 37.8 22.5 15.0 82 82 A L H X S+ 0 0 19 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.904 109.3 51.9 -60.0 -42.9 36.9 23.3 11.4 83 83 A Y H X S+ 0 0 61 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.889 109.2 52.0 -57.7 -40.5 40.6 22.9 10.3 84 84 A S H X S+ 0 0 10 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.850 105.9 53.1 -68.8 -33.2 40.6 19.5 12.1 85 85 A V H X S+ 0 0 16 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.947 112.3 45.3 -62.0 -49.3 37.5 18.4 10.2 86 86 A I H < S+ 0 0 37 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.922 116.3 46.4 -58.9 -42.5 39.2 19.3 6.9 87 87 A R H < S+ 0 0 121 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.865 125.3 27.6 -69.6 -35.4 42.4 17.6 8.0 88 88 A H H >X S+ 0 0 49 -4,-2.3 4,-2.8 -5,-0.1 3,-1.4 0.467 86.8 93.6-112.8 -4.6 40.8 14.3 9.4 89 89 A R H 3X S+ 0 0 75 -4,-2.1 4,-2.4 1,-0.3 -1,-0.1 0.860 84.9 60.4 -63.2 -30.7 37.5 13.7 7.5 90 90 A E H 34 S+ 0 0 124 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.720 114.0 36.8 -65.9 -21.9 39.4 11.4 5.1 91 91 A D H <> S+ 0 0 98 -3,-1.4 4,-0.9 2,-0.1 -2,-0.2 0.814 118.4 48.0 -93.8 -41.6 40.4 9.2 8.0 92 92 A L H X S+ 0 0 2 -4,-2.8 4,-1.0 1,-0.2 -24,-0.2 0.886 104.2 57.7 -72.4 -40.2 37.2 9.4 10.1 93 93 A L H >< S+ 0 0 9 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.929 107.5 45.6 -60.1 -48.0 34.7 8.7 7.3 94 94 A P H 34 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.793 105.8 62.3 -67.4 -26.6 36.1 5.3 6.3 95 95 A L H 3< S+ 0 0 119 -4,-0.9 2,-1.3 1,-0.2 -2,-0.2 0.767 92.4 69.4 -66.7 -26.9 36.4 4.3 9.9 96 96 A a S << S+ 0 0 6 -4,-1.0 -1,-0.2 -3,-0.9 -29,-0.1 -0.659 73.6 163.6 -95.4 82.5 32.6 4.6 10.3 97 97 A D > - 0 0 94 -2,-1.3 4,-2.7 -3,-0.1 5,-0.2 0.005 60.0 -72.6 -81.7-168.1 31.6 1.7 8.2 98 98 A G H > S+ 0 0 49 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.875 134.8 53.8 -57.9 -36.9 28.1 0.0 8.1 99 99 A A H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 108.9 48.1 -65.4 -41.2 28.9 -1.5 11.5 100 100 A a H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.945 115.5 44.8 -63.4 -47.3 29.7 1.9 13.0 101 101 A L H X S+ 0 0 12 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.917 113.4 49.3 -65.4 -42.5 26.5 3.4 11.5 102 102 A E H X S+ 0 0 95 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.927 113.2 47.2 -59.1 -46.5 24.3 0.5 12.6 103 103 A Q H X S+ 0 0 114 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.872 111.9 50.9 -64.0 -40.1 25.6 0.6 16.1 104 104 A T H X S+ 0 0 12 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.961 112.3 44.4 -64.8 -50.7 25.2 4.4 16.3 105 105 A L H X S+ 0 0 7 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.897 112.8 52.4 -62.9 -36.7 21.6 4.3 15.1 106 106 A S H X S+ 0 0 23 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.908 108.0 51.7 -63.5 -41.2 20.8 1.4 17.4 107 107 A S H X S+ 0 0 49 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.839 106.0 55.3 -61.8 -37.0 22.3 3.4 20.3 108 108 A I H ><>S+ 0 0 1 -4,-1.9 5,-2.0 2,-0.2 3,-0.6 0.946 111.5 42.7 -62.2 -49.4 20.1 6.3 19.5 109 109 A I H ><5S+ 0 0 3 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.908 110.3 57.0 -62.7 -42.7 16.9 4.2 19.7 110 110 A Q H 3<5S+ 0 0 58 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.696 103.8 54.1 -66.2 -18.7 18.2 2.5 22.9 111 111 A T T <<5S- 0 0 17 -4,-1.0 206,-0.3 -3,-0.6 -1,-0.3 0.245 127.5 -94.8 -99.6 14.9 18.5 5.9 24.6 112 112 A G T < 5S+ 0 0 0 -3,-2.0 -55,-2.6 1,-0.3 2,-0.4 0.497 79.7 133.6 95.7 6.0 14.9 6.8 23.8 113 113 A T E < +i 57 0C 0 -5,-2.0 -1,-0.3 -57,-0.2 -55,-0.2 -0.777 21.2 171.3 -89.4 132.2 15.1 8.8 20.6 114 114 A T E + 0 0 0 -57,-2.6 21,-2.3 -2,-0.4 2,-0.3 0.507 63.6 38.7-118.5 -9.7 12.6 7.8 18.0 115 115 A A E -ij 58 135C 0 -58,-1.6 -56,-2.7 19,-0.2 2,-0.3 -0.997 64.8-177.6-142.3 141.2 13.0 10.5 15.3 116 116 A I E -ij 59 136C 0 19,-2.7 21,-2.6 -2,-0.3 2,-0.6 -0.944 27.8-138.3-136.2 155.9 16.1 12.2 13.9 117 117 A G E - 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