==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 21-JAN-08 3C0W . COMPND 2 MOLECULE: INTRON-ENCODED ENDONUCLEASE I-SCEI; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.M.MOURE,F.S.GIMBLE,F.A.QUIOCHO . 223 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 67.3 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 . 35 15.7 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 2 0 0 2 0 1 1 1 0 0 1 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 . 2 0 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A N 0 0 179 0, 0.0 19,-0.1 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 128.3 66.1 82.4 17.1 2 4 A I - 0 0 20 14,-0.1 2,-0.4 1,-0.1 3,-0.0 -0.190 360.0-137.8 -55.9 142.5 65.2 79.8 14.4 3 5 A K >> - 0 0 130 1,-0.1 3,-2.3 0, 0.0 4,-0.7 -0.832 18.7-121.4-105.1 141.7 62.2 80.5 12.2 4 6 A K H >> S+ 0 0 28 -2,-0.4 4,-1.9 1,-0.3 3,-1.3 0.875 114.3 65.7 -44.4 -41.8 59.6 77.8 11.3 5 7 A N H 34 S+ 0 0 122 1,-0.3 -1,-0.3 2,-0.2 4,-0.1 0.819 97.3 54.1 -49.3 -38.8 60.5 78.7 7.8 6 8 A Q H <4 S+ 0 0 94 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.685 118.3 28.0 -76.5 -21.5 64.1 77.4 8.3 7 9 A V H X< S+ 0 0 1 -3,-1.3 3,-1.9 -4,-0.7 -2,-0.2 0.504 85.5 99.1-119.4 -6.5 63.3 73.9 9.6 8 10 A M T 3< S+ 0 0 55 -4,-1.9 -1,-0.1 1,-0.3 -3,-0.1 0.385 96.2 37.9 -65.2 9.0 60.0 72.9 8.1 9 11 A N T 3 S+ 0 0 146 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.275 94.0 105.6-139.8 7.1 61.9 71.0 5.4 10 12 A L S < S- 0 0 70 -3,-1.9 -3,-0.1 1,-0.1 -4,-0.0 -0.338 80.6 -80.4 -87.5 170.9 64.8 69.4 7.4 11 13 A G > - 0 0 35 1,-0.1 3,-2.7 -2,-0.1 6,-0.2 -0.421 42.5-113.3 -69.4 146.4 65.2 65.8 8.5 12 14 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.777 118.2 46.6 -49.5 -33.0 63.3 64.8 11.7 13 15 A N T 3 S+ 0 0 127 4,-0.1 2,-0.2 5,-0.0 -2,-0.1 0.221 85.2 137.4 -97.6 16.4 66.5 64.3 13.6 14 16 A S <> - 0 0 34 -3,-2.7 4,-2.3 1,-0.1 5,-0.2 -0.388 54.8-138.9 -68.9 136.1 68.0 67.7 12.4 15 17 A K H > S+ 0 0 141 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.908 104.3 53.9 -56.5 -48.4 69.8 69.8 15.0 16 18 A L H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.871 108.8 50.7 -56.8 -38.6 68.3 73.0 13.6 17 19 A L H > S+ 0 0 10 -6,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.948 108.2 49.9 -65.4 -49.9 64.9 71.5 14.0 18 20 A K H X S+ 0 0 102 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.820 108.1 55.7 -59.7 -30.5 65.5 70.5 17.7 19 21 A E H X S+ 0 0 66 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.962 107.1 47.3 -65.0 -52.7 66.7 74.0 18.3 20 22 A Y H >< S+ 0 0 15 -4,-2.0 3,-0.8 1,-0.2 4,-0.3 0.881 110.9 55.9 -54.3 -38.4 63.4 75.5 17.0 21 23 A K H >< S+ 0 0 45 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.925 103.6 51.4 -59.7 -48.4 61.8 72.9 19.2 22 24 A S H 3< S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.603 99.0 66.5 -67.7 -10.9 63.6 74.1 22.4 23 25 A Q T << S+ 0 0 71 -4,-0.9 2,-0.4 -3,-0.8 -1,-0.3 0.565 93.3 73.8 -84.5 -9.9 62.4 77.6 21.6 24 26 A L < + 0 0 31 -3,-1.8 82,-0.1 -4,-0.3 3,-0.1 -0.880 51.4 162.5-106.5 136.7 58.9 76.4 22.3 25 27 A I + 0 0 140 -2,-0.4 2,-0.3 1,-0.4 -1,-0.1 0.758 56.6 4.6-118.3 -55.6 57.7 75.7 25.8 26 28 A E S S- 0 0 94 81,-0.0 -1,-0.4 83,-0.0 2,-0.1 -0.918 71.4 -98.1-137.2 162.1 54.0 75.5 26.2 27 29 A L - 0 0 5 79,-0.5 2,-0.1 -2,-0.3 46,-0.0 -0.439 43.6-114.9 -72.2 149.6 50.8 75.6 24.2 28 30 A N > - 0 0 59 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.440 36.3 -95.1 -81.9 163.7 49.0 78.9 24.0 29 31 A I H > S+ 0 0 99 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.827 123.4 46.7 -47.3 -45.2 45.5 79.2 25.6 30 32 A E H > S+ 0 0 92 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.938 110.8 53.1 -66.4 -44.2 43.5 78.6 22.4 31 33 A Q H > S+ 0 0 1 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.856 114.0 43.5 -58.7 -36.0 45.6 75.6 21.5 32 34 A F H X S+ 0 0 20 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.961 116.7 42.6 -74.8 -53.8 45.0 74.1 25.0 33 35 A E H >X S+ 0 0 44 -4,-2.7 4,-1.1 1,-0.2 3,-0.5 0.897 118.1 45.6 -61.4 -42.2 41.2 74.8 25.3 34 36 A A H 3X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.2 0.813 105.0 66.4 -69.5 -28.2 40.5 73.8 21.7 35 37 A G H 3X S+ 0 0 0 -4,-0.7 4,-2.3 -5,-0.4 -1,-0.2 0.831 94.8 55.8 -61.5 -33.9 42.8 70.8 22.4 36 38 A I H S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 -1,-0.2 0.908 110.7 47.1 -69.9 -41.5 39.7 67.9 19.7 39 41 A I H <5S+ 0 0 9 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.882 115.3 46.3 -68.3 -34.5 40.9 65.0 21.9 40 42 A L H <5S+ 0 0 1 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.748 125.9 38.0 -74.7 -19.3 37.3 64.4 22.9 41 43 A G T <5S- 0 0 16 -4,-0.9 -3,-0.2 -5,-0.2 -2,-0.1 0.694 126.3 -39.1 -95.8-111.3 36.5 64.7 19.2 42 44 A D T 5S+ 0 0 66 -5,-0.1 17,-0.2 2,-0.0 -3,-0.2 0.512 97.8 101.1-103.7 -10.2 38.4 63.5 16.1 43 45 A A < - 0 0 14 -5,-2.2 2,-0.4 -6,-0.1 15,-0.2 -0.262 58.2-146.2 -74.6 166.4 42.0 64.2 17.1 44 46 A Y E -A 57 0A 123 13,-1.8 13,-3.7 2,-0.0 2,-0.6 -0.971 7.6-163.2-136.2 115.5 44.4 61.6 18.3 45 47 A I E +A 56 0A 26 -2,-0.4 2,-0.3 11,-0.3 11,-0.2 -0.900 21.0 175.5-104.5 122.4 47.1 62.4 20.8 46 48 A R E -A 55 0A 60 9,-2.3 9,-2.1 -2,-0.6 2,-0.4 -0.860 26.1-155.4-130.5 161.9 50.0 59.9 21.1 47 49 A S + 0 0 35 -2,-0.3 3,-0.2 7,-0.2 7,-0.2 -0.998 9.1 179.7-133.1 133.3 53.3 59.2 22.8 48 50 A R S S+ 0 0 190 -2,-0.4 2,-0.1 5,-0.3 6,-0.1 0.349 82.2 58.3-109.9 2.0 56.0 57.0 21.3 49 51 A D S > S- 0 0 23 4,-0.5 3,-3.2 0, 0.0 4,-0.4 -0.551 116.9 -93.8-135.3 63.5 58.3 57.6 24.3 50 52 A E T 3 S- 0 0 171 1,-0.3 -2,-0.0 -3,-0.2 -3,-0.0 0.679 89.8 -44.0 28.2 50.4 56.4 56.5 27.4 51 53 A G T 3 S+ 0 0 31 2,-0.4 -1,-0.3 1,-0.0 3,-0.1 0.549 109.9 113.5 82.1 4.6 55.0 60.0 28.3 52 54 A K S < S- 0 0 143 -3,-3.2 2,-0.3 1,-0.3 56,-0.2 0.902 90.6 -4.0 -73.6 -39.4 58.2 61.9 27.7 53 55 A T - 0 0 22 -4,-0.4 -4,-0.5 54,-0.1 -2,-0.4 -0.988 61.2-157.6-151.6 159.3 56.4 63.6 24.8 54 56 A Y B -D 104 0B 30 50,-1.5 50,-2.2 -2,-0.3 53,-0.4 -0.963 2.6-170.3-136.2 153.0 53.2 63.7 22.8 55 57 A C E -A 46 0A 16 -9,-2.1 -9,-2.3 -2,-0.3 2,-0.4 -0.874 23.6-125.7-132.5 163.3 52.2 64.9 19.3 56 58 A M E -A 45 0A 0 -2,-0.3 45,-2.1 46,-0.2 2,-0.4 -0.960 17.2-152.3-115.6 135.7 48.6 65.2 18.0 57 59 A Q E -AB 44 100A 64 -13,-3.7 -13,-1.8 -2,-0.4 2,-0.4 -0.881 11.3-162.6-107.4 139.3 47.6 63.5 14.8 58 60 A F E + B 0 99A 7 41,-3.3 41,-2.2 -2,-0.4 2,-0.3 -0.933 16.3 167.1-123.5 145.8 44.8 64.8 12.6 59 61 A E E + B 0 98A 76 -2,-0.4 2,-0.3 39,-0.2 39,-0.2 -0.840 12.7 158.8-158.4 115.7 42.6 63.4 9.8 60 62 A W E - B 0 97A 20 37,-1.7 37,-2.5 -2,-0.3 -2,-0.0 -0.966 41.4-140.8-138.8 154.8 39.5 64.9 8.4 61 63 A K S S+ 0 0 165 -2,-0.3 2,-0.5 35,-0.2 -1,-0.2 0.954 90.3 75.9 -74.6 -52.8 37.4 64.7 5.2 62 64 A N > - 0 0 50 1,-0.2 4,-1.8 2,-0.1 5,-0.1 -0.439 64.0-165.6 -66.4 112.0 36.8 68.5 5.2 63 65 A K H > S+ 0 0 72 -2,-0.5 4,-3.0 1,-0.2 5,-0.3 0.877 86.1 59.1 -65.0 -40.9 39.9 70.4 4.0 64 66 A A H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.934 108.2 44.6 -53.5 -51.0 38.7 73.7 5.3 65 67 A Y H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.906 112.2 53.0 -60.7 -44.7 38.4 72.4 8.9 66 68 A M H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.944 110.6 46.5 -57.4 -49.3 41.8 70.7 8.6 67 69 A D H X S+ 0 0 66 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.866 109.0 56.2 -62.6 -35.9 43.4 74.0 7.4 68 70 A H H X S+ 0 0 60 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.943 111.8 42.6 -60.6 -46.2 41.7 75.8 10.3 69 71 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.901 110.8 53.2 -67.8 -44.3 43.2 73.5 12.8 70 72 A C H < S+ 0 0 15 -4,-2.7 7,-0.2 1,-0.2 6,-0.2 0.922 110.9 49.3 -57.9 -41.1 46.7 73.4 11.3 71 73 A L H >< S+ 0 0 124 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.874 107.7 53.6 -65.5 -37.2 46.6 77.2 11.4 72 74 A L H 3< S+ 0 0 30 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.881 119.0 35.0 -63.9 -37.3 45.5 77.1 15.1 73 75 A Y T >X S+ 0 0 0 -4,-2.3 3,-3.2 1,-0.2 4,-0.9 0.092 84.6 141.7-102.4 20.5 48.5 74.8 15.8 74 76 A D G X4 + 0 0 69 -3,-1.2 3,-1.1 1,-0.3 -1,-0.2 0.736 66.7 46.5 -27.1 -62.0 50.7 76.7 13.3 75 77 A Q G 34 S+ 0 0 58 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.590 114.7 49.6 -68.7 -8.9 54.0 76.7 15.1 76 78 A W G <4 S+ 0 0 1 -3,-3.2 26,-1.6 -6,-0.2 2,-0.6 0.506 98.8 73.6-104.2 -9.6 53.6 73.0 16.0 77 79 A V << - 0 0 7 -3,-1.1 24,-0.2 -4,-0.9 -1,-0.1 -0.894 54.0-179.1-114.0 105.4 52.8 71.8 12.4 78 80 A L + 0 0 32 -2,-0.6 -1,-0.1 22,-0.3 23,-0.1 0.864 63.8 44.7 -67.9 -43.4 55.8 71.8 10.0 79 81 A S S S- 0 0 62 21,-0.3 21,-0.2 1,-0.1 3,-0.1 -0.728 83.0-107.6-110.9 158.0 54.1 70.6 6.8 80 82 A P - 0 0 98 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.159 61.1 -72.1 -67.5 171.8 50.8 71.4 4.9 81 83 A P - 0 0 21 0, 0.0 2,-0.4 0, 0.0 18,-0.2 -0.448 47.4-132.4 -70.6 142.0 48.1 68.7 5.1 82 84 A H E -C 98 0A 136 16,-3.6 16,-3.6 -2,-0.1 2,-0.3 -0.808 16.3-124.8 -98.0 134.3 48.7 65.5 3.1 83 85 A K E -C 97 0A 86 -2,-0.4 2,-0.5 14,-0.2 14,-0.2 -0.586 23.8-160.5 -76.5 131.8 45.9 64.2 0.9 84 86 A K E +C 96 0A 67 12,-4.0 12,-3.0 -2,-0.3 2,-0.5 -0.971 10.9 179.4-119.2 121.9 45.0 60.6 1.6 85 87 A E E +C 95 0A 107 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.987 10.9 164.8-125.3 124.2 43.1 58.5 -1.0 86 88 A R E -C 94 0A 164 8,-2.3 8,-3.0 -2,-0.5 2,-0.5 -0.883 32.9-122.1-137.5 167.0 42.2 54.9 -0.4 87 89 A V E -C 93 0A 102 -2,-0.3 6,-0.2 6,-0.2 4,-0.1 -0.939 25.7-139.3-113.4 124.3 40.0 52.1 -1.6 88 90 A N > - 0 0 67 4,-2.6 3,-1.6 -2,-0.5 -1,-0.0 -0.059 36.5 -97.7 -67.7-176.7 37.4 50.5 0.6 89 91 A H T 3 S+ 0 0 176 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.657 129.2 62.5 -75.7 -11.0 36.7 46.8 0.6 90 92 A L T 3 S- 0 0 114 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.111 121.2-110.3 -95.9 18.7 33.9 47.9 -1.7 91 93 A G S < S+ 0 0 58 -3,-1.6 2,-0.4 1,-0.2 -2,-0.1 0.799 71.1 147.9 56.5 29.5 36.4 49.2 -4.2 92 94 A N - 0 0 85 2,-0.0 -4,-2.6 1,-0.0 2,-0.7 -0.814 49.9-125.4-103.0 138.9 35.3 52.8 -3.4 93 95 A L E - C 0 87A 117 -2,-0.4 2,-0.5 -6,-0.2 -6,-0.2 -0.693 28.7-174.5 -83.4 113.7 37.6 55.8 -3.5 94 96 A V E - C 0 86A 56 -8,-3.0 -8,-2.3 -2,-0.7 2,-0.4 -0.935 7.6-156.3-113.0 128.2 37.6 57.7 -0.2 95 97 A I E + C 0 85A 65 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.868 21.7 154.7-108.0 137.4 39.4 61.0 0.2 96 98 A T E - C 0 84A 25 -12,-3.0 -12,-4.0 -2,-0.4 2,-0.4 -0.917 34.0-122.8-147.7 167.3 40.7 62.4 3.4 97 99 A W E -BC 60 83A 47 -37,-2.5 -37,-1.7 -2,-0.3 2,-0.3 -0.964 22.6-161.4-121.0 138.0 43.4 64.8 4.6 98 100 A G E +BC 59 82A 9 -16,-3.6 -16,-3.6 -2,-0.4 2,-0.3 -0.906 19.5 146.1-121.3 149.0 46.1 64.0 7.1 99 101 A A E -B 58 0A 4 -41,-2.2 -41,-3.3 -2,-0.3 2,-0.3 -0.964 15.2-172.1-165.3 169.9 48.4 66.1 9.2 100 102 A Q E -B 57 0A 95 -2,-0.3 -21,-0.3 -43,-0.2 -22,-0.3 -0.977 24.3-117.1-169.0 157.3 50.2 66.2 12.6 101 103 A T - 0 0 4 -45,-2.1 -24,-0.2 -2,-0.3 2,-0.2 -0.462 43.1-103.8 -89.7 167.9 52.2 68.3 15.0 102 104 A F - 0 0 26 -26,-1.6 -46,-0.2 -2,-0.2 2,-0.1 -0.518 48.8 -90.1 -84.2 164.4 55.8 67.2 15.9 103 105 A K + 0 0 99 -2,-0.2 2,-0.3 -48,-0.1 -48,-0.3 -0.498 58.9 154.6 -77.2 148.7 56.1 65.5 19.4 104 106 A H B > -D 54 0B 23 -50,-2.2 -50,-1.5 -2,-0.1 3,-1.4 -0.951 54.3-116.3-168.2 151.1 56.9 67.9 22.3 105 107 A Q G >> S+ 0 0 138 -2,-0.3 3,-1.9 1,-0.3 4,-0.7 0.736 106.2 79.3 -67.0 -20.7 56.4 68.0 26.1 106 108 A A G >4 S+ 0 0 4 1,-0.3 3,-0.5 2,-0.2 -79,-0.5 0.837 90.7 55.3 -55.0 -29.7 54.2 71.0 25.6 107 109 A F G X> S+ 0 0 0 -3,-1.4 4,-2.6 -53,-0.4 3,-0.7 0.657 85.6 79.2 -78.3 -16.3 51.6 68.5 24.6 108 110 A N H <> S+ 0 0 19 -3,-1.9 4,-3.0 1,-0.2 5,-0.2 0.867 85.6 62.8 -59.1 -35.2 51.9 66.5 27.9 109 111 A K H < S+ 0 0 2 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.906 103.3 57.3 -53.4 -47.7 47.6 64.5 27.3 112 114 A N H >< S+ 0 0 88 -4,-3.0 3,-2.5 1,-0.3 -1,-0.2 0.836 87.7 73.6 -56.6 -35.7 47.6 64.3 31.1 113 115 A L T << S+ 0 0 21 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.642 104.8 43.5 -56.2 -7.5 44.1 65.7 31.4 114 116 A F T < S+ 0 0 4 -3,-2.2 7,-3.2 -4,-0.2 2,-0.4 0.094 96.0 83.4-125.9 21.4 43.2 62.2 30.1 115 117 A I B < +E 120 0C 56 -3,-2.5 2,-0.3 5,-0.3 5,-0.2 -0.993 45.3 165.3-127.3 123.9 45.4 59.9 32.2 116 118 A V S S+ 0 0 67 3,-1.4 3,-0.3 -2,-0.4 6,-0.0 -0.997 75.7 1.3-134.0 129.1 44.3 58.7 35.8 117 119 A N S S- 0 0 163 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.782 136.2 -59.2 62.3 21.5 46.0 55.7 37.7 118 120 A N S S+ 0 0 147 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.903 112.0 104.4 72.3 49.9 48.1 55.5 34.6 119 121 A K S S- 0 0 146 -3,-0.3 -3,-1.4 2,-0.0 2,-0.2 -0.985 74.8-100.2-153.8 146.4 45.6 54.9 31.7 120 122 A K B +E 115 0C 118 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.478 67.6 132.4 -63.6 129.6 43.8 57.0 28.9 121 123 A T - 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