==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 28-SEP-99 1QMI . COMPND 2 MOLECULE: RNA 3'-TERMINAL PHOSPHATE CYCLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.J.PALM,E.BILLY,W.FILIPOWICZ,A.WLODAWER . 1340 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52619.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1002 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 235 17.5 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 . 7 0.5 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 . 5 0.4 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 . 119 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 332 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.4 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 3 1 2 1 0 1 2 1 14 5 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 16 1 6 0 0 1 4 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 1 8 4 3 0 12 0 0 4 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 12 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 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 5 A X 0 0 124 0, 0.0 29,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 133.1 45.7 43.3 90.6 2 6 A I E -a 30 0A 12 27,-0.9 29,-2.0 28,-0.1 2,-0.5 -0.215 360.0-166.3 -58.8 125.7 48.5 44.9 92.6 3 7 A A E -a 31 0A 51 27,-0.2 2,-0.3 -2,-0.1 29,-0.2 -0.942 4.3-170.6-117.9 126.2 51.4 46.5 90.6 4 8 A L E -a 32 0A 9 27,-3.3 29,-1.7 -2,-0.5 2,-0.7 -0.878 20.9-128.8-115.3 146.2 54.6 47.4 92.4 5 9 A D > - 0 0 80 -2,-0.3 3,-1.4 27,-0.2 7,-0.3 -0.857 11.0-155.1 -97.9 114.4 57.6 49.4 91.0 6 10 A G T 3 S+ 0 0 0 -2,-0.7 6,-0.6 1,-0.3 9,-0.1 0.699 93.1 52.9 -61.3 -24.7 60.9 47.6 91.5 7 11 A A T 3 S+ 0 0 48 4,-0.2 -1,-0.3 29,-0.1 28,-0.1 0.559 86.5 119.2 -88.1 -5.9 63.0 50.8 91.4 8 12 A Q S X> S- 0 0 52 -3,-1.4 3,-1.9 3,-0.1 4,-0.7 -0.207 77.6 -18.6 -61.3 144.5 60.8 52.4 94.1 9 13 A G T 34 S- 0 0 23 1,-0.3 296,-0.1 2,-0.2 295,-0.1 -0.287 139.9 -1.7 60.8-132.9 62.4 53.4 97.4 10 14 A E T 34 S- 0 0 37 294,-0.4 -1,-0.3 1,-0.1 -2,-0.1 0.765 117.6 -96.9 -61.6 -20.5 65.7 51.8 98.2 11 15 A G T <4 - 0 0 13 -3,-1.9 -4,-0.2 -6,-0.1 -2,-0.2 0.807 61.1 -51.8 102.4 82.6 65.3 50.0 94.9 12 16 A G S < S+ 0 0 3 -4,-0.7 2,-1.3 -6,-0.6 24,-0.1 0.366 94.6 82.8 50.8 177.3 63.9 46.4 94.8 13 17 A G S > S+ 0 0 3 1,-0.2 4,-2.1 22,-0.1 -1,-0.2 -0.678 103.5 40.5 94.6 -77.6 65.0 43.4 96.7 14 18 A Q H > S+ 0 0 53 -2,-1.3 4,-3.5 1,-0.2 5,-0.4 0.889 110.5 60.6 -70.8 -33.8 63.1 44.0 100.0 15 19 A I H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 105.0 49.6 -57.8 -43.5 60.2 45.2 97.9 16 20 A L H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.951 114.0 44.1 -64.2 -48.3 60.1 41.7 96.4 17 21 A R H X S+ 0 0 19 -4,-2.1 4,-1.9 1,-0.2 5,-0.2 0.891 113.2 48.2 -69.5 -39.4 60.2 39.9 99.7 18 22 A S H X S+ 0 0 12 -4,-3.5 4,-2.0 2,-0.2 -1,-0.2 0.880 113.1 51.4 -67.4 -29.2 57.7 42.1 101.5 19 23 A A H X S+ 0 0 0 -4,-2.0 4,-3.8 -5,-0.4 5,-0.3 0.983 106.7 52.9 -68.9 -52.1 55.5 41.6 98.5 20 24 A L H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 5,-0.2 0.918 112.6 42.8 -46.9 -59.1 55.8 37.9 98.6 21 25 A S H X S+ 0 0 1 -4,-1.9 4,-2.8 1,-0.2 3,-0.2 0.905 118.9 44.3 -55.0 -48.0 54.8 37.5 102.2 22 26 A L H X>S+ 0 0 0 -4,-2.0 4,-3.4 1,-0.2 5,-0.6 0.963 109.9 54.8 -63.1 -50.9 52.0 40.0 101.9 23 27 A S H X5S+ 0 0 0 -4,-3.8 4,-1.1 1,-0.3 -1,-0.2 0.749 117.6 38.0 -56.1 -25.4 50.7 38.5 98.6 24 28 A X H <5S+ 0 0 6 -4,-1.5 -1,-0.3 -5,-0.3 56,-0.2 0.797 113.7 52.5 -94.0 -41.4 50.5 35.2 100.4 25 29 A I H <5S+ 0 0 16 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.994 128.3 25.2 -52.2 -57.3 49.3 36.5 103.7 26 30 A T H <5S- 0 0 32 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.847 97.6-129.9 -74.9 -47.2 46.5 38.3 101.8 27 31 A G << + 0 0 36 -4,-1.1 -4,-0.1 -5,-0.6 -3,-0.1 0.117 60.8 136.5 110.3 -20.0 46.1 36.3 98.6 28 32 A Q - 0 0 75 -6,-0.3 -1,-0.4 288,-0.1 -2,-0.1 -0.440 48.8-140.7 -63.6 122.9 46.4 39.4 96.3 29 33 A P - 0 0 33 0, 0.0 -27,-0.9 0, 0.0 2,-0.3 -0.367 26.1-174.3 -78.2 171.1 48.7 38.6 93.4 30 34 A F E -aB 2 75A 0 45,-2.1 45,-2.4 -29,-0.1 2,-0.4 -0.954 22.9-132.4-158.6 175.2 51.0 41.3 92.3 31 35 A T E -aB 3 74A 23 -29,-2.0 -27,-3.3 -2,-0.3 2,-0.5 -0.974 6.6-159.7-147.2 115.5 53.5 42.3 89.8 32 36 A I E -aB 4 73A 1 41,-1.2 41,-2.3 -2,-0.4 -27,-0.2 -0.849 13.8-171.2 -90.2 135.1 57.0 43.8 90.4 33 37 A T S S+ 0 0 64 -29,-1.7 -28,-0.1 -2,-0.5 -1,-0.1 0.717 70.7 25.9-107.1 -27.2 58.1 45.6 87.3 34 38 A S S > S- 0 0 39 -30,-0.2 3,-2.4 1,-0.2 38,-0.2 -0.280 72.1-175.5-135.4 56.5 61.7 46.8 87.5 35 39 A I T 3 S- 0 0 2 36,-2.3 8,-0.2 1,-0.3 -1,-0.2 0.625 78.3 -9.6 -21.2 -81.3 63.2 44.3 90.0 36 40 A R T > S+ 0 0 28 6,-1.2 3,-0.6 1,-0.2 -1,-0.3 -0.247 81.4 170.3-124.6 52.2 66.7 45.6 90.5 37 41 A A T < S+ 0 0 44 -3,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.711 77.3 17.5 -25.3 -66.2 66.7 48.1 87.7 38 42 A G T 3 S+ 0 0 53 -4,-0.2 338,-0.9 -3,-0.1 -1,-0.3 0.711 95.3 115.2 -92.4 -16.2 69.9 49.9 88.5 39 43 A R B < S-D 375 0B 95 -3,-0.6 336,-0.2 3,-0.2 337,-0.1 0.018 82.6-105.2 -52.6 161.3 71.7 47.3 90.8 40 44 A A S S+ 0 0 52 334,-2.0 335,-0.1 1,-0.3 -1,-0.1 0.957 121.3 48.4 -51.7 -55.1 74.9 45.8 89.5 41 45 A K S S- 0 0 130 333,-0.2 -1,-0.3 1,-0.1 -2,-0.2 -0.792 94.1-142.8 -93.3 98.6 73.0 42.6 88.8 42 46 A P - 0 0 52 0, 0.0 -6,-1.2 0, 0.0 -3,-0.2 0.457 60.6 -25.2 -32.3 -35.5 69.8 44.0 86.9 43 47 A G S S+ 0 0 1 1,-0.3 28,-0.2 25,-0.2 27,-0.2 -0.569 103.9 16.3-155.0-138.4 67.1 41.7 88.3 44 48 A L - 0 0 1 26,-3.2 2,-0.3 23,-0.3 -1,-0.3 -0.203 60.4-170.8 -52.2 132.9 66.2 38.3 89.9 45 49 A L >> - 0 0 46 -3,-0.1 4,-2.2 24,-0.1 3,-1.2 -0.918 41.6 -88.1-127.8 159.4 69.2 36.6 91.2 46 50 A R H 3> S+ 0 0 183 -2,-0.3 4,-2.3 1,-0.3 5,-0.1 0.757 126.8 49.9 -31.6 -45.2 69.7 33.1 92.5 47 51 A Q H 3> S+ 0 0 60 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.926 112.6 46.5 -65.5 -45.8 68.7 34.1 96.1 48 52 A H H <> S+ 0 0 13 -3,-1.2 4,-3.2 2,-0.2 -1,-0.2 0.827 111.0 53.0 -63.5 -36.5 65.6 35.9 94.9 49 53 A L H X S+ 0 0 18 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.887 110.9 46.7 -65.9 -38.7 64.7 32.9 92.8 50 54 A T H X S+ 0 0 21 -4,-2.3 4,-2.5 -5,-0.3 5,-0.3 0.936 110.8 51.7 -70.4 -37.8 65.1 30.7 95.9 51 55 A A H X S+ 0 0 2 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.974 115.3 44.5 -59.6 -46.7 63.0 33.3 97.8 52 56 A V H X S+ 0 0 2 -4,-3.2 4,-3.6 1,-0.2 -2,-0.2 0.874 111.5 49.6 -65.4 -42.7 60.5 32.9 95.0 53 57 A K H < S+ 0 0 124 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.864 112.7 49.2 -65.0 -38.3 60.6 29.0 94.7 54 58 A A H >X S+ 0 0 1 -4,-2.5 4,-1.6 -5,-0.2 3,-0.9 0.917 115.5 43.7 -64.8 -44.8 60.1 28.7 98.5 55 59 A A H >X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.3 2,-1.4 0.971 109.7 55.4 -65.3 -52.8 57.2 31.1 98.3 56 60 A T H 3< S+ 0 0 39 -4,-3.6 -1,-0.3 1,-0.2 -2,-0.1 0.096 115.1 41.9 -73.3 37.1 55.7 29.5 95.2 57 61 A E H <4 S+ 0 0 94 -2,-1.4 -1,-0.2 -3,-0.9 -2,-0.2 0.477 104.8 56.3-146.0 -40.0 55.7 26.2 97.1 58 62 A I H << S+ 0 0 0 -4,-1.6 23,-2.8 -3,-0.6 -2,-0.2 0.721 128.3 25.4 -69.5 -27.4 54.5 27.0 100.6 59 63 A C S < S- 0 0 1 -4,-1.7 19,-0.3 21,-0.3 -1,-0.2 0.266 102.0-117.9-129.1 23.8 51.5 28.4 98.7 60 64 A G - 0 0 58 18,-0.2 -3,-0.2 -5,-0.1 -4,-0.1 0.920 53.7-177.6 40.7 58.8 51.1 26.6 95.3 61 65 A A - 0 0 20 -6,-0.2 2,-0.5 17,-0.1 -1,-0.1 -0.238 31.3-133.5 -86.7 171.2 51.7 29.8 93.4 62 66 A T E -C 76 0A 77 14,-2.1 14,-2.9 -2,-0.1 2,-0.3 -0.995 29.8-174.0-124.4 118.5 51.7 30.7 89.8 63 67 A V E -C 75 0A 45 -2,-0.5 2,-0.4 12,-0.2 12,-0.2 -0.905 17.0-167.2-119.7 148.7 54.6 32.8 88.8 64 68 A E E S+C 74 0A 79 10,-2.7 10,-1.6 -2,-0.3 -2,-0.0 -0.931 77.8 25.0-134.0 105.5 55.5 34.6 85.5 65 69 A G + 0 0 26 -2,-0.4 2,-3.0 8,-0.2 7,-0.2 0.397 65.0 145.3 126.3 0.6 59.0 35.8 85.3 66 70 A A + 0 0 37 8,-0.2 2,-0.4 3,-0.1 7,-0.1 -0.189 34.4 126.7 -69.5 56.2 61.0 33.7 87.7 67 71 A E S > S- 0 0 144 -2,-3.0 3,-2.8 -3,-0.0 -23,-0.3 -0.891 74.2-103.8-119.0 146.3 64.2 33.7 85.5 68 72 A L T 3 S+ 0 0 75 -2,-0.4 -25,-0.2 1,-0.3 -22,-0.1 0.437 117.9 31.9 -41.9 -14.9 67.7 34.6 86.6 69 73 A G T 3 S+ 0 0 45 -4,-0.1 -1,-0.3 -27,-0.1 -24,-0.1 0.426 85.9 139.0-127.7 4.9 67.7 38.0 84.9 70 74 A S < - 0 0 23 -3,-2.8 -26,-3.2 -5,-0.2 -34,-0.2 -0.137 30.4-179.8 -59.3 135.4 64.1 38.9 85.2 71 75 A Q S S+ 0 0 70 -28,-0.2 -36,-2.3 -36,-0.1 2,-0.4 0.329 73.8 65.9-111.0 6.8 63.2 42.5 86.1 72 76 A R + 0 0 112 -7,-0.2 2,-0.4 -38,-0.2 -39,-0.2 -0.976 59.6 177.2-131.9 135.3 59.5 41.4 85.9 73 77 A L E -B 32 0A 0 -41,-2.3 -41,-1.2 -2,-0.4 2,-0.5 -0.997 13.9-168.3-142.4 135.0 57.5 39.1 88.1 74 78 A L E -BC 31 64A 11 -10,-1.6 -10,-2.7 -2,-0.4 2,-0.4 -0.995 15.5-175.8-121.0 124.2 53.9 38.0 88.3 75 79 A F E -BC 30 63A 0 -45,-2.4 -45,-2.1 -2,-0.5 -12,-0.2 -0.995 10.9-179.3-130.4 118.8 53.1 36.1 91.4 76 80 A R E - C 0 62A 109 -14,-2.9 -14,-2.1 -2,-0.4 -48,-0.1 -0.956 21.0-152.7-117.2 101.6 49.6 34.5 92.0 77 81 A P - 0 0 22 0, 0.0 2,-0.2 0, 0.0 -17,-0.1 0.081 12.9-172.1 -65.7-177.3 49.4 32.7 95.5 78 82 A G - 0 0 38 -19,-0.3 2,-0.6 -17,-0.1 -18,-0.2 -0.482 52.6 -27.6-148.6-141.9 47.3 29.9 96.6 79 83 A T - 0 0 102 -2,-0.2 2,-0.8 -19,-0.1 30,-0.1 -0.746 55.1-128.7 -98.0 127.1 46.8 28.4 99.9 80 84 A V - 0 0 8 -2,-0.6 30,-1.4 -56,-0.2 2,-0.3 -0.617 32.7-158.8 -68.8 103.9 49.6 28.7 102.3 81 85 A R - 0 0 163 -23,-2.8 2,-0.2 -2,-0.8 28,-0.1 -0.728 9.5-129.6 -86.8 146.9 49.9 25.0 103.4 82 86 A G + 0 0 19 -2,-0.3 2,-0.2 31,-0.1 31,-0.2 -0.555 50.9 97.2 -92.9 160.3 51.6 24.1 106.7 83 87 A G S S- 0 0 20 29,-0.3 31,-2.0 28,-0.2 2,-1.0 -0.859 71.7 -41.3 151.0 174.4 54.3 21.5 106.8 84 88 A D E -e 114 0C 142 -2,-0.2 2,-0.3 29,-0.2 31,-0.2 -0.665 57.5-179.8 -78.0 104.2 58.0 20.4 106.9 85 89 A Y E -e 115 0C 21 29,-3.1 31,-0.9 -2,-1.0 2,-0.3 -0.715 14.9-172.8-107.9 149.7 59.9 22.5 104.4 86 90 A R E +e 116 0C 150 -2,-0.3 2,-0.3 29,-0.2 31,-0.2 -0.915 7.0 179.4-143.2 113.6 63.6 22.4 103.6 87 91 A F - 0 0 13 29,-3.0 31,-0.5 -2,-0.3 2,-0.4 -0.785 12.6-155.0-113.6 156.2 65.1 25.0 101.3 88 92 A A - 0 0 70 -2,-0.3 2,-0.2 29,-0.2 31,-0.2 -0.922 10.6-176.2-136.5 105.4 68.8 25.2 100.2 89 93 A I - 0 0 17 29,-2.8 6,-0.1 -2,-0.4 -42,-0.1 -0.471 29.9-110.8 -88.6 175.9 70.3 28.5 99.2 90 94 A G - 0 0 54 -2,-0.2 71,-0.4 70,-0.1 -1,-0.2 0.793 47.3 -76.7 -74.2-114.0 73.9 28.7 97.9 91 95 A S S S+ 0 0 58 69,-0.2 69,-0.2 28,-0.1 71,-0.1 0.599 131.0 47.8-123.5 -37.5 76.7 30.4 99.8 92 96 A A S S+ 0 0 42 67,-0.1 2,-0.4 65,-0.1 67,-0.1 0.462 93.8 104.1 -82.7 -7.9 75.9 34.0 99.1 93 97 A G - 0 0 2 25,-0.0 27,-2.8 3,-0.0 2,-0.6 -0.661 66.4-145.3 -79.3 127.2 72.4 33.2 100.1 94 98 A S B > -h 120 0D 8 -2,-0.4 4,-1.1 1,-0.2 3,-0.5 -0.820 5.5-152.6 -91.5 121.8 71.3 34.3 103.6 95 99 A C H >> S+ 0 0 0 25,-2.1 4,-2.3 -2,-0.6 3,-1.1 0.969 94.6 69.8 -56.9 -42.8 68.9 31.9 105.3 96 100 A T H 3> S+ 0 0 2 24,-0.5 4,-2.0 1,-0.3 -1,-0.2 0.819 98.8 45.7 -40.3 -46.4 67.7 35.0 107.1 97 101 A L H 34 S+ 0 0 43 -3,-0.5 -1,-0.3 2,-0.2 -2,-0.2 0.803 112.3 48.9 -72.8 -31.7 66.1 36.5 103.9 98 102 A V H XX S+ 0 0 5 -4,-1.1 3,-2.4 -3,-1.1 4,-2.3 0.985 113.9 48.5 -68.7 -53.3 64.4 33.2 102.8 99 103 A L H 3X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.3 -2,-0.2 0.807 108.5 51.5 -56.5 -37.1 63.0 32.8 106.2 100 104 A Q H 3< S+ 0 0 42 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.424 112.2 50.2 -83.2 6.7 61.7 36.4 106.4 101 105 A T H <> S+ 0 0 0 -3,-2.4 4,-0.6 -5,-0.1 -2,-0.2 0.797 121.6 28.1 -96.9 -53.8 60.0 35.8 103.1 102 106 A V H >X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 3,-0.6 0.898 106.7 68.0 -81.5 -42.2 58.3 32.6 103.9 103 107 A L H 3< S+ 0 0 3 -4,-1.9 4,-0.5 -5,-0.3 -1,-0.2 0.826 95.8 56.1 -52.3 -38.3 57.7 32.6 107.7 104 108 A P H >4 S+ 0 0 11 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.930 107.9 48.6 -61.8 -43.9 55.1 35.4 107.7 105 109 A A H X< S+ 0 0 0 -3,-0.6 3,-2.7 -4,-0.6 -2,-0.2 0.956 105.7 58.1 -57.5 -48.6 52.9 33.6 105.2 106 110 A L G >< S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.3 -1,-0.3 0.567 88.8 75.3 -59.4 -11.6 53.2 30.5 107.4 107 111 A W G < S+ 0 0 11 -3,-1.3 64,-3.1 -4,-0.5 -1,-0.3 0.668 105.3 37.2 -72.0 -20.4 51.7 32.5 110.3 108 112 A F G < S+ 0 0 66 -3,-2.7 -1,-0.3 -4,-0.3 -28,-0.2 -0.034 91.6 129.3-116.7 20.5 48.5 32.1 108.5 109 113 A A S < S- 0 0 6 -3,-1.1 -28,-0.2 2,-0.2 4,-0.0 -0.470 74.8-107.6 -78.1 163.2 49.0 28.5 107.2 110 114 A D S S- 0 0 110 -30,-1.4 -1,-0.1 -2,-0.1 -29,-0.1 0.542 97.1 -1.7 -63.8 -8.6 46.4 25.9 107.7 111 115 A G S S- 0 0 13 -5,-0.1 -2,-0.2 -28,-0.0 -28,-0.2 -0.959 94.4 -56.3-167.4 177.7 48.8 24.3 110.3 112 116 A P - 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