==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-APR-96 1HRD . COMPND 2 MOLECULE: GLUTAMATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM SYMBIOSUM; . AUTHOR K.L.BRITTON,P.J.BAKER,T.J.STILLMAN,D.W.RICE . 1347 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49728.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1007 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 7.4 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 . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 3 0.2 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 . 51 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 155 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 549 40.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.2 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 4 8 0 3 0 6 0 0 6 6 0 9 3 3 0 1 2 0 0 0 0 2 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 10 5 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 . 7 0 1 5 0 3 0 0 0 3 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 3 3 0 0 2 1 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 S > 0 0 44 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 140.4 -32.9 -5.2 89.7 2 2 A K H > + 0 0 178 2,-0.2 4,-2.1 3,-0.1 5,-0.1 0.896 360.0 48.2 -76.9 -34.1 -31.2 -6.0 93.0 3 3 A Y H > S+ 0 0 11 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.984 112.8 47.6 -63.0 -60.0 -27.8 -6.5 91.4 4 4 A V H > S+ 0 0 4 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.892 112.3 50.3 -46.8 -49.5 -28.0 -3.3 89.4 5 5 A D H X S+ 0 0 101 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.900 111.2 49.1 -55.4 -47.1 -29.2 -1.4 92.5 6 6 A R H X S+ 0 0 78 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.932 111.1 49.1 -61.4 -49.8 -26.3 -2.8 94.4 7 7 A V H >X S+ 0 0 2 -4,-3.3 4,-1.9 1,-0.2 3,-0.5 0.957 109.5 51.5 -58.6 -49.5 -23.8 -1.9 91.7 8 8 A I H 3X S+ 0 0 15 -4,-3.0 4,-1.7 1,-0.3 -1,-0.2 0.871 107.8 53.0 -54.3 -40.7 -25.1 1.7 91.5 9 9 A A H 3X S+ 0 0 49 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.3 0.861 106.9 51.3 -65.3 -36.7 -24.8 2.2 95.2 10 10 A E H < S+ 0 0 186 -4,-1.4 3,-0.8 -3,-0.2 -2,-0.2 0.907 122.4 46.6 -74.4 -49.1 -19.8 5.6 97.7 14 14 A K H 3< S+ 0 0 144 -4,-2.9 3,-0.2 1,-0.2 -2,-0.2 0.843 121.5 30.3 -62.5 -47.1 -16.7 4.8 95.8 15 15 A Y T >< + 0 0 31 -4,-3.4 3,-2.7 -5,-0.2 7,-0.3 -0.120 69.9 136.4-112.6 36.0 -16.5 7.5 93.2 16 16 A A T < S+ 0 0 69 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.826 71.8 61.7 -44.2 -41.8 -18.2 10.3 95.2 17 17 A D T 3 S+ 0 0 130 1,-0.2 -1,-0.3 -3,-0.2 84,-0.2 0.418 98.1 57.6 -65.0 -12.5 -15.4 12.6 93.9 18 18 A E <> + 0 0 21 -3,-2.7 4,-2.8 1,-0.1 3,-0.4 -0.623 62.8 166.4-124.6 65.3 -16.4 12.1 90.2 19 19 A P H > S+ 0 0 74 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.860 74.1 54.1 -49.8 -46.3 -20.1 13.2 90.2 20 20 A E H > S+ 0 0 68 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.906 113.2 43.3 -59.4 -42.9 -20.4 13.4 86.4 21 21 A F H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 5,-0.2 0.944 113.0 51.6 -68.6 -43.5 -19.2 9.8 86.1 22 22 A V H X S+ 0 0 19 -4,-2.8 4,-2.1 -7,-0.3 -2,-0.2 0.905 109.5 52.2 -54.2 -45.4 -21.4 8.6 89.0 23 23 A Q H X S+ 0 0 112 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.859 108.2 48.5 -61.6 -41.9 -24.3 10.2 87.4 24 24 A T H X S+ 0 0 3 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.865 109.1 53.8 -69.9 -38.8 -23.8 8.5 84.0 25 25 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.948 109.2 47.5 -62.4 -48.6 -23.4 5.1 85.5 26 26 A E H X S+ 0 0 83 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.945 113.5 49.1 -59.2 -44.8 -26.7 5.4 87.4 27 27 A E H X S+ 0 0 88 -4,-1.8 4,-0.7 -5,-0.2 -1,-0.2 0.899 117.1 39.1 -61.7 -43.0 -28.4 6.6 84.3 28 28 A V H < S+ 0 0 10 -4,-2.6 3,-0.3 2,-0.2 -2,-0.2 0.912 119.6 44.3 -74.9 -45.5 -27.1 3.8 82.0 29 29 A L H >< S+ 0 0 4 -4,-2.8 3,-2.6 -5,-0.3 4,-0.3 0.910 105.2 60.0 -67.8 -43.9 -27.3 1.0 84.4 30 30 A S H >< S+ 0 0 74 -4,-2.5 3,-0.7 -5,-0.4 -1,-0.2 0.810 100.2 58.6 -58.7 -23.9 -30.7 1.8 85.8 31 31 A S T 3< S+ 0 0 40 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.373 98.4 62.8 -84.5 7.0 -32.1 1.4 82.4 32 32 A L T X> + 0 0 2 -3,-2.6 4,-2.0 1,-0.1 3,-1.0 0.378 58.8 117.7-113.6 4.5 -30.9 -2.2 82.1 33 33 A G H <> S+ 0 0 10 -3,-0.7 4,-4.1 -4,-0.3 5,-0.2 0.818 75.1 51.1 -39.8 -49.0 -32.7 -4.2 84.8 34 34 A P H 3> S+ 0 0 52 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.845 109.7 46.6 -66.6 -34.9 -34.6 -6.6 82.5 35 35 A V H <4 S+ 0 0 0 -3,-1.0 4,-0.2 2,-0.2 -2,-0.2 0.929 117.8 46.0 -68.4 -42.2 -31.7 -7.7 80.5 36 36 A V H >< S+ 0 0 5 -4,-2.0 3,-3.1 2,-0.2 6,-0.2 0.965 110.7 51.0 -59.9 -55.3 -29.8 -8.2 83.7 37 37 A D H 3< S+ 0 0 108 -4,-4.1 -1,-0.2 1,-0.3 -2,-0.2 0.865 109.0 53.3 -52.2 -38.4 -32.7 -9.9 85.4 38 38 A A T 3< S+ 0 0 55 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.599 108.7 55.8 -74.6 -6.5 -32.8 -12.2 82.4 39 39 A H X> + 0 0 35 -3,-3.1 3,-2.0 -4,-0.2 4,-0.6 -0.482 50.7 162.0-133.0 70.3 -29.1 -12.9 82.9 40 40 A P H 3> S+ 0 0 87 0, 0.0 4,-0.7 0, 0.0 3,-0.4 0.709 72.7 70.6 -54.7 -25.0 -28.3 -14.2 86.2 41 41 A E H 3> S+ 0 0 66 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.771 87.5 65.9 -68.9 -22.9 -24.9 -15.6 84.9 42 42 A Y H X4>S+ 0 0 1 -3,-2.0 5,-2.7 1,-0.2 3,-0.8 0.902 98.7 51.6 -59.6 -45.5 -23.6 -12.0 84.5 43 43 A E H ><5S+ 0 0 90 -4,-0.6 3,-1.1 -3,-0.4 -1,-0.2 0.791 100.4 62.0 -65.2 -27.6 -23.7 -11.6 88.2 44 44 A E H 3<5S+ 0 0 145 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.702 109.2 42.4 -67.7 -29.9 -21.7 -14.8 88.8 45 45 A V T <<5S- 0 0 23 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.056 114.2-116.1-105.2 19.1 -18.7 -13.4 86.9 46 46 A A T <>5 + 0 0 36 -3,-1.1 4,-1.8 1,-0.1 -3,-0.2 0.866 55.0 164.7 47.4 42.2 -19.1 -9.9 88.4 47 47 A L H >< + 0 0 0 -5,-2.7 4,-2.2 1,-0.2 -4,-0.1 0.890 68.3 43.3 -57.2 -47.7 -19.8 -8.5 85.0 48 48 A L H > S+ 0 0 1 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.874 110.0 57.5 -68.0 -36.4 -21.2 -5.1 86.0 49 49 A E H 4 S+ 0 0 46 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.871 110.7 44.7 -60.5 -35.8 -18.5 -4.6 88.6 50 50 A R H >< S+ 0 0 40 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.941 105.9 58.6 -72.8 -48.7 -16.0 -5.0 85.8 51 51 A M H 3< S+ 0 0 10 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.719 100.0 59.4 -52.6 -28.7 -17.8 -2.8 83.2 52 52 A V T 3< S+ 0 0 9 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.597 95.8 67.7 -81.3 -11.5 -17.6 0.2 85.6 53 53 A I S < S- 0 0 96 -3,-1.9 -1,-0.1 -4,-0.3 0, 0.0 -0.943 88.8-124.5-110.1 116.2 -13.8 0.2 85.9 54 54 A P - 0 0 12 0, 0.0 27,-0.2 0, 0.0 3,-0.2 -0.200 16.3-123.9 -54.6 152.0 -12.0 1.1 82.7 55 55 A E S S+ 0 0 25 26,-1.2 2,-0.3 25,-0.7 26,-0.2 0.946 90.3 2.1 -59.9 -47.9 -9.5 -1.4 81.5 56 56 A R E -A 80 0A 72 24,-2.0 24,-2.8 2,-0.0 2,-0.4 -0.998 58.8-166.0-148.5 138.9 -6.7 1.2 81.5 57 57 A V E -A 79 0A 63 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.989 9.6-171.0-125.5 133.7 -6.3 4.9 82.4 58 58 A I E +A 78 0A 20 20,-2.0 20,-2.1 -2,-0.4 2,-0.4 -0.994 7.1 175.0-127.5 128.3 -3.3 7.0 81.3 59 59 A E E +A 77 0A 101 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.971 13.1 174.3-126.2 145.5 -2.5 10.5 82.5 60 60 A F E -A 76 0A 20 16,-2.2 16,-2.9 -2,-0.4 2,-0.2 -0.997 33.1-100.0-153.8 156.7 0.7 12.2 81.6 61 61 A R E -A 75 0A 199 -2,-0.3 14,-0.2 14,-0.2 89,-0.1 -0.475 28.0-164.1 -76.1 138.6 2.6 15.5 81.8 62 62 A V E -A 74 0A 0 12,-2.5 12,-1.8 -2,-0.2 2,-0.3 -0.758 7.5-178.0-127.8 88.9 2.6 17.9 78.8 63 63 A P E +A 73 0A 70 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.664 12.7 168.6 -86.5 140.7 5.2 20.6 78.8 64 64 A W E -A 72 0A 13 8,-2.3 8,-3.3 -2,-0.3 2,-0.4 -0.993 29.8-126.1-152.6 152.9 5.1 23.0 75.8 65 65 A E E -A 71 0A 109 -2,-0.3 6,-0.2 6,-0.2 77,-0.1 -0.864 21.6-144.5-106.2 128.1 6.6 26.4 74.7 66 66 A D > - 0 0 19 4,-2.9 3,-2.1 -2,-0.4 69,-0.0 -0.224 37.7 -90.2 -83.1-179.2 4.6 29.4 73.6 67 67 A D T 3 S+ 0 0 77 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.744 127.6 53.2 -61.0 -24.7 5.5 31.9 70.9 68 68 A N T 3 S- 0 0 151 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.235 120.4-107.4 -93.5 8.3 7.2 34.1 73.4 69 69 A G S < S+ 0 0 41 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.554 72.9 142.2 77.5 7.2 9.4 31.2 74.7 70 70 A K - 0 0 141 1,-0.0 -4,-2.9 -5,-0.0 2,-0.4 -0.582 49.3-124.3 -80.9 143.6 7.5 30.9 77.9 71 71 A V E -A 65 0A 101 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.780 27.6-174.6 -97.2 132.3 7.0 27.4 79.2 72 72 A H E -A 64 0A 58 -8,-3.3 -8,-2.3 -2,-0.4 2,-0.4 -0.833 9.6-151.6-118.2 160.0 3.5 26.0 80.0 73 73 A V E +A 63 0A 96 -2,-0.3 2,-0.3 -10,-0.2 -12,-0.0 -0.991 18.1 165.5-137.3 130.4 2.4 22.7 81.5 74 74 A N E -A 62 0A 31 -12,-1.8 -12,-2.5 -2,-0.4 2,-0.4 -0.807 33.1-111.7-131.0 171.3 -0.8 20.7 81.1 75 75 A T E -A 61 0A 44 -2,-0.3 54,-1.5 -14,-0.2 55,-0.3 -0.908 23.1-156.4-110.7 133.2 -2.2 17.3 81.8 76 76 A G E -AB 60 128A 0 -16,-2.9 -16,-2.2 -2,-0.4 2,-0.3 -0.809 13.0-169.9-105.3 146.2 -3.0 14.7 79.0 77 77 A Y E -AB 59 127A 20 50,-2.6 50,-2.1 -2,-0.3 2,-0.3 -0.982 16.7-180.0-136.5 154.6 -5.5 11.9 79.6 78 78 A R E -AB 58 126A 0 -20,-2.1 -20,-2.0 -2,-0.3 2,-0.7 -0.862 8.7-166.2-154.4 110.8 -6.6 8.7 77.8 79 79 A V E -AB 57 125A 0 46,-3.8 46,-1.9 -2,-0.3 2,-1.2 -0.907 2.4-167.4-103.3 109.9 -9.3 6.5 79.2 80 80 A Q E +AB 56 124A 2 -24,-2.8 -24,-2.0 -2,-0.7 -25,-0.7 -0.807 19.5 170.1 -96.3 85.2 -9.3 3.1 77.4 81 81 A F E - 0 0 4 -2,-1.2 -26,-1.2 42,-0.8 2,-0.3 0.927 55.8 -1.5 -64.3 -56.9 -12.6 2.0 78.9 82 82 A N E + B 0 123A 7 41,-1.8 41,-3.1 -28,-0.2 -1,-0.2 -0.969 46.4 169.0-148.4 127.5 -13.7 -1.1 77.0 83 83 A G + 0 0 2 -2,-0.3 39,-0.1 39,-0.2 5,-0.1 0.044 44.0 116.8-126.0 27.5 -12.1 -3.0 74.1 84 84 A A S S+ 0 0 0 1,-0.2 -1,-0.1 37,-0.1 38,-0.1 0.844 87.1 28.7 -65.3 -33.9 -14.1 -6.2 74.1 85 85 A I S S- 0 0 4 1,-0.2 -1,-0.2 -3,-0.1 37,-0.1 0.517 129.9 -18.6-108.8 -4.1 -15.6 -5.6 70.6 86 86 A G S S- 0 0 1 35,-0.1 35,-0.3 34,-0.1 -1,-0.2 -0.973 89.1 -51.4-176.3-178.1 -13.0 -3.6 68.8 87 87 A P S S- 0 0 4 0, 0.0 35,-3.1 0, 0.0 73,-0.2 -0.343 75.2 -84.5 -66.2 153.6 -10.0 -1.4 69.3 88 88 A Y E -d 160 0B 5 71,-2.2 73,-2.5 33,-0.2 2,-0.3 -0.277 57.2-177.1 -57.1 146.3 -10.5 1.5 71.7 89 89 A K E +d 161 0B 7 71,-0.2 35,-2.0 18,-0.1 2,-0.2 -0.981 19.1 113.8-151.3 136.6 -12.2 4.4 69.9 90 90 A G E -d 162 0B 3 71,-1.1 73,-0.7 -2,-0.3 35,-0.2 -0.781 51.5 -91.5 165.7 153.0 -13.1 7.8 71.0 91 91 A G E -d 163 0B 5 71,-0.3 35,-1.9 -2,-0.2 2,-0.4 -0.087 28.4-122.0 -78.0 173.4 -12.4 11.5 70.6 92 92 A L E -c 126 0A 0 71,-1.6 2,-0.5 33,-0.2 35,-0.3 -0.957 19.4-159.0-118.5 136.4 -10.1 14.0 72.3 93 93 A R E -c 127 0A 58 33,-2.1 35,-2.2 -2,-0.4 2,-0.6 -0.957 6.7-163.9-120.5 130.3 -11.2 17.1 73.9 94 94 A F E +c 128 0A 3 72,-2.2 35,-0.2 -2,-0.5 33,-0.0 -0.944 40.3 126.7-111.7 104.8 -9.0 20.1 74.7 95 95 A A > - 0 0 8 33,-1.8 3,-1.3 -2,-0.6 36,-0.1 -0.968 66.6-115.3-154.4 151.1 -10.8 22.3 77.2 96 96 A P T 3 S+ 0 0 82 0, 0.0 33,-0.1 0, 0.0 35,-0.1 0.667 110.9 59.0 -66.4 -16.6 -9.8 23.8 80.6 97 97 A S T 3 S+ 0 0 78 31,-0.1 5,-0.2 33,-0.1 32,-0.1 0.508 74.0 125.2 -88.9 -11.0 -12.5 21.8 82.5 98 98 A V < + 0 0 5 -3,-1.3 2,-0.3 30,-0.3 31,-0.1 -0.264 28.8 144.5 -56.3 134.4 -11.2 18.4 81.4 99 99 A N > - 0 0 60 29,-0.1 4,-2.4 1,-0.0 5,-0.2 -0.906 62.8 -83.0-156.8 178.9 -10.5 16.1 84.3 100 100 A L H > S+ 0 0 38 -2,-0.3 4,-3.4 2,-0.2 5,-0.2 0.910 122.2 53.0 -60.7 -46.9 -10.8 12.4 85.0 101 101 A S H > S+ 0 0 6 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.942 112.1 47.7 -51.8 -49.9 -14.5 12.3 86.0 102 102 A I H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.951 112.6 47.7 -57.7 -50.9 -15.2 14.0 82.7 103 103 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.896 114.0 48.7 -58.5 -42.3 -13.0 11.6 80.8 104 104 A K H X S+ 0 0 10 -4,-3.4 4,-1.9 2,-0.2 -1,-0.2 0.913 109.5 48.8 -67.2 -47.4 -14.6 8.6 82.5 105 105 A F H X S+ 0 0 43 -4,-3.1 4,-2.0 -5,-0.2 -2,-0.2 0.954 115.7 44.6 -61.8 -40.7 -18.1 9.6 82.1 106 106 A L H X S+ 0 0 18 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.829 111.8 50.9 -70.2 -33.8 -17.7 10.2 78.4 107 107 A G H X S+ 0 0 0 -4,-2.0 4,-0.8 -5,-0.2 -1,-0.2 0.820 108.5 53.4 -72.8 -29.6 -15.6 7.2 77.7 108 108 A F H >X S+ 0 0 3 -4,-1.9 4,-1.2 2,-0.2 3,-0.9 0.941 110.5 45.9 -67.6 -48.3 -18.2 5.0 79.4 109 109 A E H 3X S+ 0 0 53 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.901 106.4 62.2 -59.4 -41.6 -21.0 6.4 77.2 110 110 A Q H 3X S+ 0 0 30 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.758 97.3 56.6 -56.1 -31.5 -18.7 6.0 74.2 111 111 A A H < S+ 0 0 0 -4,-2.4 3,-0.6 -5,-0.2 5,-0.4 0.873 110.8 56.2 -68.3 -35.9 -19.9 2.5 69.6 115 115 A S H >< S+ 0 0 3 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.952 102.0 57.1 -55.3 -52.9 -21.4 -0.9 70.4 116 116 A L H 3< S+ 0 0 7 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.686 91.3 70.7 -53.9 -25.8 -24.7 0.2 69.0 117 117 A T T << S- 0 0 0 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