==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-APR-08 3CUH . COMPND 2 MOLECULE: EXO-BETA-1,4-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI; . AUTHOR D.A.KUNTZ,M.SAUL,D.R.ROSE . 314 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11942.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 2.9 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 15 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 0 1 0 1 0 3 0 1 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 4 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 . 3 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 0 0 0 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 A 0 0 71 0, 0.0 3,-0.1 0, 0.0 312,-0.0 0.000 360.0 360.0 360.0 149.5 43.3 48.9 45.1 2 2 A T + 0 0 96 312,-0.1 2,-0.3 1,-0.0 307,-0.1 0.506 360.0 51.5-115.5 -19.0 40.5 46.4 45.5 3 3 A T S > S- 0 0 26 1,-0.1 4,-1.8 306,-0.1 5,-0.1 -0.761 81.7-122.3-116.2 164.1 37.8 49.1 45.7 4 4 A L H > S+ 0 0 0 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.890 115.7 54.6 -68.5 -38.1 36.9 52.1 43.5 5 5 A K H > S+ 0 0 63 30,-0.4 4,-3.3 1,-0.2 5,-0.3 0.948 108.2 49.3 -59.4 -48.1 37.3 54.4 46.5 6 6 A E H > S+ 0 0 91 29,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.875 110.6 50.2 -57.1 -40.3 40.9 53.0 47.0 7 7 A A H X S+ 0 0 6 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.948 116.0 41.0 -65.7 -46.2 41.7 53.5 43.3 8 8 A A H X>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 4,-0.7 0.905 115.3 49.9 -66.4 -48.3 40.4 57.1 43.3 9 9 A D H ><5S+ 0 0 73 -4,-3.3 3,-1.2 -5,-0.2 -1,-0.2 0.930 111.4 50.5 -53.9 -49.3 42.0 57.9 46.7 10 10 A G H 3<5S+ 0 0 72 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.809 111.4 48.5 -60.6 -32.1 45.3 56.5 45.5 11 11 A A H 3<5S- 0 0 33 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.504 112.7-118.0 -83.3 -10.9 45.1 58.6 42.3 12 12 A G T <<5S+ 0 0 65 -3,-1.2 2,-0.3 -4,-0.7 -3,-0.2 0.858 75.6 115.9 72.6 35.5 44.3 61.8 44.3 13 13 A R < - 0 0 43 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.3 -0.854 66.6-103.5-131.5 166.7 40.9 62.2 42.6 14 14 A D E -a 269 0A 26 254,-2.6 256,-2.1 -2,-0.3 2,-0.4 -0.716 23.8-174.9 -90.4 138.3 37.2 62.2 43.5 15 15 A F E +a 270 0A 0 -2,-0.3 23,-2.6 254,-0.2 24,-0.9 -0.928 23.7 174.0-130.5 109.1 34.9 59.3 42.8 16 16 A G E -ab 271 39A 0 254,-2.3 256,-2.5 -2,-0.4 2,-0.3 -0.584 21.1-154.1-115.1 169.4 31.4 60.2 43.8 17 17 A F E -ab 272 40A 0 22,-1.2 24,-2.2 254,-0.2 2,-0.6 -0.987 27.0-111.4-141.0 153.3 27.8 59.0 43.7 18 18 A A E - b 0 41A 1 254,-1.4 2,-0.4 -2,-0.3 24,-0.2 -0.767 40.6-150.5 -83.5 120.6 24.3 60.4 43.6 19 19 A L E - b 0 42A 0 22,-3.4 24,-2.2 -2,-0.6 25,-0.5 -0.770 21.2-164.4 -99.7 133.9 22.6 59.6 47.0 20 20 A D > - 0 0 37 -2,-0.4 3,-1.7 22,-0.2 4,-0.4 -0.983 17.9-152.7-104.3 112.4 19.0 59.1 47.7 21 21 A P G > S+ 0 0 16 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.770 90.1 65.6 -64.5 -22.9 19.0 59.3 51.6 22 22 A N G > S+ 0 0 125 1,-0.3 3,-1.0 2,-0.2 4,-0.0 0.806 94.4 59.8 -64.1 -28.1 15.9 57.1 51.8 23 23 A R G X S+ 0 0 85 -3,-1.7 3,-2.2 1,-0.2 7,-0.4 0.598 80.0 86.4 -76.4 -10.7 17.9 54.2 50.4 24 24 A L G < S+ 0 0 12 -3,-1.2 -1,-0.2 -4,-0.4 6,-0.2 0.784 79.7 65.0 -59.0 -24.3 20.4 54.5 53.3 25 25 A S G < S+ 0 0 115 -3,-1.0 2,-0.7 -4,-0.3 -1,-0.3 0.530 83.1 84.8 -76.1 -6.7 18.0 52.2 55.3 26 26 A E S <> S- 0 0 47 -3,-2.2 4,-2.4 1,-0.1 3,-0.2 -0.890 75.2-153.3 -97.0 112.9 18.8 49.4 52.7 27 27 A A H > S+ 0 0 80 -2,-0.7 4,-2.5 1,-0.3 -1,-0.1 0.801 89.5 52.7 -67.0 -34.2 22.0 48.0 54.2 28 28 A Q H > S+ 0 0 103 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.914 111.1 49.0 -66.4 -41.4 23.5 46.6 50.9 29 29 A Y H > S+ 0 0 7 -3,-0.2 4,-2.7 -6,-0.2 -2,-0.2 0.962 113.2 46.5 -59.4 -51.6 23.0 50.1 49.4 30 30 A K H X S+ 0 0 76 -4,-2.4 4,-3.0 -7,-0.4 5,-0.2 0.888 107.8 57.1 -57.8 -41.9 24.7 51.8 52.5 31 31 A A H X S+ 0 0 50 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.902 112.3 40.9 -57.3 -44.0 27.6 49.2 52.5 32 32 A I H X S+ 0 0 13 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.927 114.3 51.9 -71.1 -48.2 28.5 50.1 48.9 33 33 A A H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.917 112.6 46.8 -48.5 -50.0 27.9 53.9 49.4 34 34 A D H < S+ 0 0 53 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.881 123.3 31.3 -64.1 -39.0 30.2 53.8 52.5 35 35 A S H < S+ 0 0 53 -4,-1.6 -30,-0.4 -5,-0.2 -29,-0.3 0.638 116.5 48.7-100.6 -17.9 33.0 51.8 50.9 36 36 A E H < S+ 0 0 10 -4,-2.6 2,-0.3 -32,-0.1 -3,-0.1 0.543 102.0 52.0-108.9 -5.4 33.1 52.7 47.2 37 37 A F < - 0 0 0 -4,-0.8 -21,-0.2 -5,-0.3 -32,-0.1 -0.921 43.6-166.7-134.4 149.8 33.0 56.5 47.0 38 38 A N S S+ 0 0 17 -23,-2.6 38,-2.2 -2,-0.3 2,-0.3 0.214 81.8 45.0-115.7 11.4 34.9 59.5 48.5 39 39 A L E -bc 16 76A 0 -24,-0.9 -22,-1.2 36,-0.3 2,-0.4 -0.990 64.2-161.3-148.1 151.4 32.3 62.1 47.4 40 40 A V E -bc 17 77A 0 36,-2.9 38,-2.7 -2,-0.3 2,-0.3 -0.992 5.1-173.4-138.0 144.1 28.5 62.4 47.5 41 41 A V E -bc 18 78A 3 -24,-2.2 -22,-3.4 -2,-0.4 2,-0.6 -0.959 33.8-111.9-127.0 149.2 25.9 64.5 45.8 42 42 A A E -b 19 0A 0 36,-0.6 4,-0.2 -2,-0.3 -22,-0.2 -0.747 20.0-155.9 -79.8 121.5 22.2 64.6 46.5 43 43 A E S S- 0 0 25 -24,-2.2 -1,-0.2 -2,-0.6 -23,-0.1 0.906 86.0 -19.0 -63.1 -40.9 20.4 63.1 43.5 44 44 A N S > S+ 0 0 82 -25,-0.5 3,-1.6 -3,-0.1 6,-0.3 0.523 113.8 92.0-138.4 -20.7 17.2 65.1 44.4 45 45 A A T 3 S+ 0 0 9 -26,-0.4 18,-0.5 1,-0.3 19,-0.1 0.604 91.5 44.2 -71.0 -16.3 17.3 66.3 48.0 46 46 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 5,-0.1 0.313 86.8 113.2-111.5 10.8 18.8 69.7 47.4 47 47 A K S <> S- 0 0 20 -3,-1.6 4,-1.1 1,-0.1 3,-0.3 -0.270 82.4-101.3 -74.0 167.2 16.8 70.7 44.3 48 48 A W H >> S+ 0 0 12 33,-0.3 4,-3.0 1,-0.2 3,-1.1 0.940 121.5 49.2 -61.6 -49.3 14.3 73.6 44.5 49 49 A D H 34 S+ 0 0 62 38,-0.5 -1,-0.2 1,-0.3 39,-0.1 0.845 114.2 48.2 -55.9 -33.0 11.2 71.5 44.9 50 50 A A H 34 S+ 0 0 28 -6,-0.3 -1,-0.3 -3,-0.3 12,-0.2 0.624 122.4 32.3 -82.3 -17.7 12.9 69.5 47.6 51 51 A T H << S+ 0 0 0 -3,-1.1 8,-2.5 -4,-1.1 -2,-0.2 0.724 126.7 27.5-113.3 -30.5 14.1 72.6 49.5 52 52 A E < + 0 0 0 -4,-3.0 6,-0.2 6,-0.3 -1,-0.1 -0.618 59.6 166.5-136.2 73.4 11.6 75.5 49.1 53 53 A P S S+ 0 0 69 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.735 75.1 20.9 -66.4 -26.8 8.1 73.9 48.5 54 54 A S B > S-I 57 0B 59 3,-0.9 3,-2.1 37,-0.1 2,-0.0 -0.925 113.2 -65.1-134.7 165.7 6.3 77.3 49.1 55 55 A Q T 3 S- 0 0 106 -2,-0.3 3,-0.1 1,-0.3 48,-0.0 -0.228 115.2 -13.1 -62.4 124.9 7.7 80.8 48.9 56 56 A N T 3 S+ 0 0 89 1,-0.2 2,-0.5 47,-0.1 -1,-0.3 0.736 106.1 116.0 54.8 29.2 10.4 81.4 51.5 57 57 A S B < -I 54 0B 60 -3,-2.1 -3,-0.9 2,-0.0 2,-0.3 -0.975 51.9-159.5-124.7 115.6 9.4 78.3 53.4 58 58 A F - 0 0 52 -2,-0.5 2,-0.5 -6,-0.2 -6,-0.3 -0.722 19.6-164.9-107.9 144.3 12.3 75.8 53.4 59 59 A S + 0 0 51 -8,-2.5 4,-0.3 -2,-0.3 3,-0.2 -0.853 21.0 160.8-125.0 91.5 12.4 72.0 54.0 60 60 A F > + 0 0 31 -2,-0.5 4,-2.9 1,-0.2 5,-0.3 0.386 42.6 100.9 -95.6 4.6 16.0 71.0 54.7 61 61 A G H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 86.8 42.5 -60.8 -48.0 15.6 67.6 56.4 62 62 A A H > S+ 0 0 47 -12,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.918 117.4 45.6 -64.9 -45.8 16.4 65.5 53.3 63 63 A G H > S+ 0 0 0 -18,-0.5 4,-2.6 -4,-0.3 -1,-0.2 0.875 111.9 53.3 -63.7 -38.8 19.3 67.7 52.2 64 64 A D H X S+ 0 0 56 -4,-2.9 4,-3.1 2,-0.2 5,-0.2 0.865 104.3 56.1 -62.4 -38.4 20.6 67.7 55.8 65 65 A R H X S+ 0 0 107 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.917 109.8 45.1 -59.3 -43.5 20.5 63.9 55.8 66 66 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.936 114.3 49.1 -61.7 -49.6 22.8 63.9 52.7 67 67 A A H X S+ 0 0 7 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.910 112.1 47.8 -56.7 -46.5 25.1 66.5 54.3 68 68 A S H X S+ 0 0 58 -4,-3.1 4,-3.2 2,-0.2 -1,-0.2 0.889 108.6 55.0 -64.6 -41.3 25.2 64.5 57.6 69 69 A Y H X S+ 0 0 6 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.943 109.3 47.6 -52.7 -51.3 25.9 61.3 55.7 70 70 A A H X>S+ 0 0 4 -4,-2.5 5,-2.4 2,-0.2 4,-1.0 0.921 114.6 45.6 -54.7 -49.1 28.9 63.0 54.0 71 71 A A H ><5S+ 0 0 79 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.928 112.7 50.2 -65.7 -43.7 30.3 64.4 57.3 72 72 A D H 3<5S+ 0 0 134 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.836 118.4 37.9 -63.3 -35.1 29.8 61.1 59.1 73 73 A T H 3<5S- 0 0 43 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.444 109.5-117.0 -98.0 -1.2 31.6 59.1 56.4 74 74 A G T <<5 + 0 0 68 -4,-1.0 2,-0.4 -3,-0.6 -3,-0.2 0.871 63.6 146.0 70.2 35.6 34.3 61.7 55.6 75 75 A K < - 0 0 13 -5,-2.4 -36,-0.3 -6,-0.2 -1,-0.2 -0.860 55.1-107.4-104.2 143.2 33.2 62.2 52.0 76 76 A E E -c 39 0A 58 -38,-2.2 -36,-2.9 -2,-0.4 2,-0.5 -0.370 34.6-135.5 -58.4 141.7 33.4 65.5 50.1 77 77 A L E -c 40 0A 6 41,-0.4 43,-2.3 -38,-0.2 44,-0.8 -0.921 16.9-166.8-109.3 125.6 29.9 67.0 49.6 78 78 A Y E -cd 41 121A 5 -38,-2.7 -36,-0.6 -2,-0.5 2,-0.5 -0.914 18.1-132.4-111.5 137.0 28.9 68.4 46.2 79 79 A G E - d 0 122A 0 42,-3.8 44,-2.9 -2,-0.4 2,-0.4 -0.791 14.7-149.7 -99.8 129.6 25.8 70.5 45.9 80 80 A H E - d 0 123A 2 -2,-0.5 -34,-0.5 1,-0.2 -38,-0.1 -0.968 53.8 -17.8-141.3 117.7 23.1 70.0 43.3 81 81 A T E + 0 0 2 42,-0.6 -33,-0.3 -2,-0.4 -1,-0.2 0.671 34.6 167.1-156.1 144.8 21.5 72.4 42.3 82 82 A L E S+ 0 0 1 41,-2.0 2,-0.5 1,-0.2 43,-0.2 0.911 88.2 27.2 -78.3 -45.1 20.4 76.0 43.0 83 83 A V E S+ d 0 125A 1 41,-1.7 43,-2.6 40,-0.4 2,-0.3 -0.973 70.1 143.6-127.9 117.1 19.0 77.1 39.7 84 84 A W E - d 0 126A 39 -2,-0.5 43,-0.1 41,-0.2 -36,-0.1 -0.964 44.0-139.8-152.9 133.8 17.4 74.6 37.2 85 85 A H S > S+ 0 0 29 41,-0.5 3,-0.8 -2,-0.3 55,-0.2 0.765 77.9 91.4 -65.6 -27.8 14.4 75.0 34.9 86 86 A S T 3 S- 0 0 39 1,-0.2 -2,-0.1 53,-0.1 53,-0.0 -0.474 96.7 -0.6 -80.1 140.7 13.2 71.5 35.6 87 87 A Q T 3 S+ 0 0 129 1,-0.2 -38,-0.5 -2,-0.2 -1,-0.2 0.798 81.1 167.3 57.9 33.8 10.7 70.6 38.4 88 88 A L < - 0 0 6 -3,-0.8 -1,-0.2 -40,-0.1 5,-0.1 -0.622 43.9-102.0 -75.0 133.5 10.5 74.2 39.5 89 89 A P >> - 0 0 19 0, 0.0 4,-1.8 0, 0.0 3,-1.0 -0.260 23.3-120.0 -60.3 147.3 7.5 74.7 41.9 90 90 A D H 3> S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.837 111.8 63.8 -51.6 -38.8 4.3 76.2 40.5 91 91 A W H 34 S+ 0 0 42 -38,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.883 107.1 43.9 -55.9 -36.8 4.5 79.1 43.0 92 92 A A H X4 S+ 0 0 0 -3,-1.0 3,-1.8 1,-0.2 -2,-0.2 0.914 109.9 54.3 -74.0 -46.1 7.8 80.1 41.4 93 93 A K H 3< S+ 0 0 94 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.796 102.8 60.2 -54.5 -30.6 6.5 79.7 37.8 94 94 A N T 3< S+ 0 0 120 -4,-2.0 -1,-0.3 -5,-0.2 2,-0.2 0.499 91.8 84.8 -80.1 -5.9 3.6 82.0 38.8 95 95 A L < - 0 0 34 -3,-1.8 2,-0.3 -5,-0.1 49,-0.0 -0.639 58.1-176.5 -94.7 156.5 6.0 84.9 39.6 96 96 A N >> - 0 0 102 -2,-0.2 3,-1.1 49,-0.0 4,-1.0 -0.939 41.7 -1.7-145.2 164.6 7.4 87.3 37.0 97 97 A G H 3> S- 0 0 41 -2,-0.3 4,-2.4 47,-0.3 3,-0.3 -0.180 125.5 -9.4 58.7-137.2 9.8 90.2 36.6 98 98 A S H 3> S+ 0 0 94 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.804 134.5 60.3 -65.9 -29.4 11.5 91.5 39.8 99 99 A A H <> S+ 0 0 49 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.899 110.2 42.7 -63.6 -39.2 9.3 89.3 42.0 100 100 A F H X S+ 0 0 0 -4,-1.0 4,-2.5 -3,-0.3 -2,-0.2 0.918 113.0 51.4 -73.1 -44.9 10.7 86.2 40.1 101 101 A E H X S+ 0 0 74 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.923 111.0 49.8 -55.3 -43.6 14.2 87.5 40.2 102 102 A S H X S+ 0 0 76 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.888 108.2 51.6 -64.4 -40.1 13.9 88.1 43.9 103 103 A A H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.919 111.5 48.7 -61.8 -42.5 12.5 84.5 44.5 104 104 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.944 113.9 45.2 -60.1 -49.3 15.6 83.1 42.6 105 105 A V H X S+ 0 0 47 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.898 113.4 49.7 -63.3 -42.2 18.0 85.2 44.5 106 106 A N H X S+ 0 0 39 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.884 111.1 50.3 -65.6 -38.4 16.4 84.4 47.9 107 107 A H H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 5,-0.4 0.950 112.9 44.9 -65.3 -49.1 16.4 80.7 47.0 108 108 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.937 117.0 47.1 -54.6 -49.7 20.2 80.8 46.1 109 109 A T H X S+ 0 0 37 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.945 114.9 43.0 -62.8 -50.9 20.9 82.8 49.2 110 110 A K H X S+ 0 0 75 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.895 118.0 44.0 -65.2 -42.7 19.0 80.7 51.7 111 111 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.934 116.4 46.1 -70.4 -43.4 20.1 77.3 50.4 112 112 A A H < S+ 0 0 0 -4,-2.5 4,-0.4 -5,-0.4 -2,-0.2 0.931 115.0 47.9 -66.3 -41.4 23.7 78.3 50.0 113 113 A D H >< S+ 0 0 74 -4,-2.5 3,-0.9 -5,-0.3 -1,-0.2 0.908 109.2 54.6 -62.4 -42.0 23.7 79.9 53.5 114 114 A H H 3< S+ 0 0 68 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.899 116.8 34.7 -60.5 -41.9 22.1 76.9 55.0 115 115 A F T >X S+ 0 0 0 -4,-1.9 3,-2.5 -5,-0.1 4,-2.4 0.310 86.2 142.3 -97.3 8.6 24.7 74.4 53.7 116 116 A E T <4 S+ 0 0 82 -3,-0.9 4,-0.1 -4,-0.4 -3,-0.1 -0.235 72.5 14.0 -57.7 133.7 27.6 76.8 54.0 117 117 A G T 34 S+ 0 0 78 2,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.410 125.4 63.3 78.3 -0.6 30.9 75.2 55.2 118 118 A K T <4 S+ 0 0 131 -3,-2.5 2,-0.5 1,-0.3 -41,-0.4 0.696 89.9 61.5-113.0 -54.4 29.3 71.7 54.4 119 119 A V < - 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