==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 24-JAN-13 4IWY . COMPND 2 MOLECULE: RIBOSOMAL PROTEIN S6 MODIFICATION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.SHI,G ZHAO,Z.JIN,N.M.ALLEWELL,M.TUCHMAN . 295 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 19.0 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 27 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 0 1 1 1 0 1 0 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 87 0, 0.0 27,-0.1 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 -73.1 -7.5 82.3 87.0 2 0 A H - 0 0 133 25,-1.1 2,-0.2 1,-0.1 27,-0.2 0.900 360.0-173.8 42.0 86.1 -11.3 82.0 87.0 3 1 A X - 0 0 5 24,-0.2 27,-3.5 20,-0.1 2,-0.7 -0.678 29.7-128.1-103.0 156.2 -12.4 81.0 83.4 4 2 A K E -a 30 0A 62 -2,-0.2 57,-1.6 25,-0.2 58,-1.4 -0.938 37.0-174.7 -97.1 108.5 -15.8 80.7 81.8 5 3 A I E -ab 31 62A 0 25,-3.4 27,-1.7 -2,-0.7 2,-0.4 -0.907 10.3-156.7-107.0 132.6 -15.7 77.2 80.4 6 4 A A E -ab 32 63A 0 56,-2.5 58,-3.2 -2,-0.5 2,-0.6 -0.848 5.4-148.8-103.9 146.1 -18.5 75.8 78.2 7 5 A I E -ab 33 64A 1 25,-2.4 27,-1.9 -2,-0.4 2,-1.0 -0.945 7.1-154.1-117.0 111.1 -19.1 72.1 77.8 8 6 A L E +ab 34 65A 0 56,-1.9 58,-2.9 -2,-0.6 2,-0.3 -0.737 47.5 112.8 -84.2 101.5 -20.5 71.1 74.4 9 7 A S S S- 0 0 13 25,-2.1 58,-0.1 -2,-1.0 -2,-0.1 -0.945 70.9-111.7-160.0 172.2 -22.4 67.9 74.9 10 8 A R S S- 0 0 133 56,-0.4 2,-0.3 -2,-0.3 25,-0.1 0.625 82.7 -14.3 -95.3 -11.9 -26.0 66.7 74.9 11 9 A D S S- 0 0 89 23,-0.1 2,-1.0 2,-0.0 5,-0.2 -0.996 72.4 -72.1-169.8 177.9 -26.5 65.9 78.6 12 10 A G + 0 0 55 -2,-0.3 2,-0.2 4,-0.1 3,-0.0 -0.747 61.9 137.7 -84.6 98.7 -25.5 65.3 82.2 13 11 A T S > S- 0 0 51 -2,-1.0 4,-3.2 1,-0.0 5,-0.3 -0.758 71.2 -74.5-130.2 176.9 -23.8 61.8 82.4 14 12 A L H > S+ 0 0 39 -2,-0.2 4,-4.0 1,-0.2 5,-0.2 0.862 128.9 44.2 -48.1 -53.3 -20.6 60.9 84.4 15 13 A Y H > S+ 0 0 78 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.935 117.2 43.9 -61.9 -47.3 -18.1 62.6 82.2 16 14 A S H >> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 3,-0.9 0.939 118.5 45.5 -65.1 -42.5 -20.0 65.8 81.7 17 15 A C H 3X S+ 0 0 52 -4,-3.2 4,-2.9 1,-0.2 3,-0.5 0.956 104.3 62.7 -58.7 -50.4 -20.9 65.9 85.4 18 16 A K H 3X S+ 0 0 21 -4,-4.0 4,-0.8 -5,-0.3 -1,-0.2 0.556 110.1 39.9 -60.9 -7.4 -17.2 65.1 86.4 19 17 A R H < S+ 0 0 116 -4,-2.0 3,-1.5 -5,-0.2 -2,-0.2 0.999 105.9 68.1 -63.8 -74.9 -13.5 73.0 92.3 26 24 A Q G >< S- 0 0 34 -4,-1.8 3,-1.0 1,-0.3 2,-0.4 -0.067 129.6 -22.3 -52.2 152.4 -10.2 73.6 90.5 27 25 A R G 3 S- 0 0 164 1,-0.2 -25,-1.1 -25,-0.1 -1,-0.3 0.470 104.8 -93.5 -3.8 39.5 -9.2 77.3 90.3 28 26 A G G < + 0 0 25 -3,-1.5 -1,-0.2 -2,-0.4 -4,-0.2 0.864 63.7 177.7 43.9 62.8 -12.9 78.1 90.7 29 27 A H < - 0 0 5 -6,-2.7 2,-0.4 -3,-1.0 -25,-0.2 -0.525 29.4-117.5 -88.8 159.9 -14.0 78.4 87.1 30 28 A L E -a 4 0A 102 -27,-3.5 -25,-3.4 -2,-0.2 2,-0.4 -0.853 32.3-164.2 -98.8 136.4 -17.5 79.0 85.9 31 29 A V E -a 5 0A 32 -2,-0.4 2,-0.4 -27,-0.2 -25,-0.2 -0.973 16.6-177.8-130.1 133.6 -19.2 76.3 83.8 32 30 A E E -a 6 0A 41 -27,-1.7 -25,-2.4 -2,-0.4 2,-0.7 -0.995 19.4-145.6-123.8 130.7 -22.2 76.2 81.5 33 31 A I E -a 7 0A 59 -2,-0.4 2,-0.4 -27,-0.2 -25,-0.2 -0.895 23.9-170.6-101.3 113.9 -23.2 72.9 79.9 34 32 A L E -a 8 0A 2 -27,-1.9 -25,-2.1 -2,-0.7 -23,-0.1 -0.860 24.5-134.8-111.3 133.3 -24.6 73.5 76.4 35 33 A D >> - 0 0 31 -2,-0.4 3,-1.7 -27,-0.2 4,-0.5 -0.757 17.4-146.0 -76.3 124.1 -26.4 71.2 73.9 36 34 A P G >4 S+ 0 0 0 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.869 97.6 62.1 -62.4 -35.5 -24.8 71.9 70.5 37 35 A L G 34 S+ 0 0 65 1,-0.2 -27,-0.0 -3,-0.1 -2,-0.0 0.630 100.8 53.3 -62.5 -14.9 -28.1 71.3 68.8 38 36 A S G <4 S+ 0 0 44 -3,-1.7 15,-0.7 14,-0.0 -1,-0.2 0.532 87.4 95.4-104.0 -8.8 -29.7 74.2 70.8 39 37 A C E << +D 52 0B 2 -3,-1.2 2,-0.3 -4,-0.5 13,-0.2 -0.506 51.3 177.3 -70.1 148.5 -27.1 76.7 69.7 40 38 A Y E +D 51 0B 104 11,-1.7 11,-3.0 -2,-0.2 2,-0.3 -0.945 8.7 157.5-154.3 141.9 -28.1 78.8 66.7 41 39 A X E -D 50 0B 39 -2,-0.3 2,-0.9 9,-0.2 9,-0.1 -0.989 47.4 -92.5-161.5 159.9 -26.0 81.6 65.1 42 40 A N - 0 0 99 7,-0.6 5,-0.0 -2,-0.3 -2,-0.0 -0.770 29.3-174.8 -82.5 105.2 -25.2 83.7 62.1 43 41 A I S S+ 0 0 130 -2,-0.9 4,-0.4 3,-0.1 -1,-0.2 0.804 74.3 63.1 -72.6 -25.6 -22.3 81.9 60.3 44 42 A N S S+ 0 0 121 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.400 78.0 59.6 -71.7-132.1 -22.2 84.9 58.1 45 43 A P S S- 0 0 80 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.705 118.7 -93.6 -23.9 87.6 -21.4 88.4 59.3 46 44 A A S S- 0 0 88 1,-0.1 2,-0.9 -3,-0.0 -2,-0.1 0.487 92.5 -10.0 -13.7 127.8 -18.1 86.7 60.3 47 45 A A S S+ 0 0 28 -4,-0.4 -1,-0.1 -3,-0.1 38,-0.1 -0.770 81.4 166.8 74.0-102.1 -18.1 85.5 63.9 48 46 A S - 0 0 42 -2,-0.9 -1,-0.1 36,-0.1 36,-0.0 0.418 46.9 -64.6 65.1 148.7 -21.3 87.0 65.4 49 47 A S - 0 0 37 1,-0.1 -7,-0.6 -8,-0.1 2,-0.4 -0.191 45.6-121.9 -66.5 154.5 -22.7 85.8 68.8 50 48 A I E -D 41 0B 3 7,-0.2 7,-2.6 -9,-0.1 2,-0.3 -0.838 27.0-145.3 -94.2 133.6 -24.0 82.3 69.4 51 49 A H E +DE 40 56B 54 -11,-3.0 -11,-1.7 -2,-0.4 2,-0.3 -0.778 18.1 179.7-106.3 148.7 -27.6 82.1 70.6 52 50 A Y E > -DE 39 55B 14 3,-2.9 3,-2.1 -2,-0.3 -13,-0.2 -0.951 68.8 -18.9-151.5 118.0 -29.1 79.6 73.0 53 51 A K T 3 S- 0 0 145 -15,-0.7 3,-0.1 -2,-0.3 -14,-0.1 0.907 127.2 -49.6 46.7 50.5 -32.7 79.5 74.2 54 52 A G T 3 S+ 0 0 63 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.283 122.2 91.8 79.8 -12.6 -33.4 83.0 73.1 55 53 A R E < S-E 52 0B 113 -3,-2.1 -3,-2.9 0, 0.0 2,-0.5 -0.753 77.4-110.1-113.0 163.7 -30.4 84.6 74.8 56 54 A K E -E 51 0B 137 -2,-0.3 -5,-0.2 -5,-0.2 -7,-0.0 -0.812 35.2-116.6 -92.0 126.1 -26.8 85.4 73.6 57 55 A L - 0 0 18 -7,-2.6 -7,-0.2 -2,-0.5 -1,-0.0 -0.236 22.9-128.7 -59.4 150.8 -24.0 83.3 75.1 58 56 A P - 0 0 63 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.182 48.5 -84.4 -97.5 14.9 -21.5 85.3 77.1 59 57 A H - 0 0 93 1,-0.1 2,-0.4 2,-0.0 -55,-0.1 0.863 40.0-142.8 77.5 105.6 -18.0 84.4 75.8 60 58 A F - 0 0 1 1,-0.1 -55,-0.2 -57,-0.1 3,-0.1 -0.770 9.3-147.8 -99.5 133.5 -16.2 81.4 77.1 61 59 A D S S+ 0 0 27 -57,-1.6 27,-2.3 -2,-0.4 232,-0.3 0.786 88.3 12.1 -67.0 -25.8 -12.5 81.4 77.6 62 60 A A E -bc 5 88A 0 -58,-1.4 -56,-2.5 25,-0.3 2,-0.4 -0.994 64.1-150.8-150.3 153.4 -12.6 77.7 76.6 63 61 A V E -bc 6 89A 1 25,-2.9 27,-1.4 -2,-0.3 -56,-0.2 -0.995 5.0-157.1-129.0 130.5 -14.9 75.1 75.2 64 62 A I E -b 7 0A 4 -58,-3.2 -56,-1.9 -2,-0.4 2,-0.3 -0.882 18.0-156.8-105.2 100.1 -14.9 71.4 76.0 65 63 A P E +b 8 0A 4 0, 0.0 -56,-0.2 0, 0.0 11,-0.0 -0.597 23.3 169.2 -80.7 140.5 -16.5 69.6 73.0 66 64 A R + 0 0 26 -58,-2.9 -56,-0.4 -2,-0.3 2,-0.3 -0.538 22.4 179.9-144.9 65.2 -18.0 66.2 73.7 67 65 A I - 0 0 17 -58,-0.1 5,-0.1 1,-0.1 198,-0.1 -0.542 26.5-112.3 -89.2 136.3 -19.8 65.8 70.5 68 66 A G > - 0 0 29 -2,-0.3 3,-1.2 1,-0.1 7,-0.1 -0.128 22.2-116.7 -61.2 156.9 -21.9 62.7 69.7 69 67 A T T 3 S+ 0 0 71 1,-0.2 -1,-0.1 2,-0.1 79,-0.1 0.280 116.1 43.1 -76.9 11.3 -20.9 60.2 67.0 70 68 A A T 3 S+ 0 0 72 2,-0.0 -1,-0.2 79,-0.0 -2,-0.1 0.190 111.1 49.7-138.3 13.3 -24.2 61.2 65.2 71 69 A I S <> S+ 0 0 39 -3,-1.2 4,-3.3 2,-0.1 5,-0.2 -0.018 72.0 121.6-142.6 20.6 -24.2 64.9 65.6 72 70 A T H > + 0 0 24 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.755 68.0 53.0 -77.6 -23.8 -20.7 65.5 64.4 73 71 A F H > S+ 0 0 187 2,-0.2 4,-0.7 3,-0.1 -1,-0.2 0.933 120.9 30.3 -75.1 -47.4 -21.6 67.8 61.4 74 72 A Y H > S+ 0 0 95 2,-0.2 4,-2.5 3,-0.1 3,-0.3 0.890 117.8 59.5 -74.6 -39.6 -23.6 70.3 63.3 75 73 A G H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.3 -3,-0.2 0.933 108.9 41.8 -52.4 -53.4 -21.7 69.7 66.5 76 74 A T H X S+ 0 0 2 -4,-1.6 4,-2.5 2,-0.2 -1,-0.3 0.685 109.5 60.2 -70.4 -21.1 -18.3 70.8 65.0 77 75 A A H X S+ 0 0 34 -4,-0.7 4,-1.7 -3,-0.3 -1,-0.2 0.928 109.9 41.5 -69.0 -46.8 -20.1 73.7 63.2 78 76 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.927 114.5 52.6 -62.2 -45.4 -21.1 75.1 66.6 79 77 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 3,-0.4 0.933 105.8 55.3 -53.2 -48.4 -17.6 74.2 68.0 80 78 A R H X S+ 0 0 97 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.884 104.7 52.2 -54.2 -43.8 -16.1 76.1 65.1 81 79 A Q H X S+ 0 0 4 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.842 106.9 52.0 -65.8 -35.3 -18.0 79.3 65.9 82 80 A F H X>S+ 0 0 4 -4,-1.7 5,-1.9 -3,-0.4 4,-0.5 0.919 110.7 48.9 -63.5 -43.5 -16.9 79.2 69.5 83 81 A E H ><5S+ 0 0 46 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.939 109.1 52.1 -59.1 -48.5 -13.3 78.9 68.1 84 82 A X H 3<5S+ 0 0 100 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.737 107.3 55.2 -58.2 -26.1 -14.0 81.8 65.8 85 83 A L H 3<5S- 0 0 60 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.534 127.6 -95.5 -87.3 -8.5 -15.1 83.8 68.8 86 84 A G T <<5S+ 0 0 51 -3,-1.7 207,-0.2 -4,-0.5 -3,-0.2 0.171 75.4 140.9 119.0 -17.0 -11.9 83.2 70.8 87 85 A S < - 0 0 5 -5,-1.9 -1,-0.3 -6,-0.1 -25,-0.3 -0.323 49.6-130.7 -62.4 133.5 -12.7 80.2 72.9 88 86 A Y E -c 62 0A 45 -27,-2.3 -25,-2.9 -28,-0.1 2,-0.4 -0.746 25.7-154.7 -82.5 131.8 -9.9 77.7 73.3 89 87 A P E -c 63 0A 15 0, 0.0 2,-0.8 0, 0.0 -25,-0.2 -0.862 16.6-137.7-105.1 139.2 -11.0 74.2 72.5 90 88 A L S S+ 0 0 6 -27,-1.4 154,-0.1 -2,-0.4 198,-0.0 -0.894 98.9 14.6 -93.2 123.4 -9.6 71.0 73.8 91 89 A N S S- 0 0 3 -2,-0.8 -1,-0.2 152,-0.1 2,-0.2 0.775 97.4-128.3 70.1 108.6 -9.8 69.0 70.6 92 90 A E > - 0 0 83 151,-0.5 4,-2.2 -3,-0.1 3,-0.5 -0.553 18.9-105.3 -87.0 154.5 -10.4 71.5 67.8 93 91 A S H > S+ 0 0 3 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.840 117.1 48.9 -40.2 -57.0 -13.2 71.1 65.2 94 92 A V H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.915 114.0 46.2 -56.0 -44.9 -11.0 70.0 62.3 95 93 A A H > S+ 0 0 0 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.844 113.8 48.4 -68.8 -33.7 -9.3 67.4 64.4 96 94 A I H X S+ 0 0 19 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.952 111.1 50.1 -70.2 -51.4 -12.6 66.1 65.8 97 95 A A H >X S+ 0 0 31 -4,-3.0 3,-1.5 1,-0.2 4,-1.1 0.959 111.6 47.0 -48.3 -62.8 -14.2 65.9 62.4 98 96 A R H 3< S+ 0 0 41 -4,-2.3 3,-0.4 1,-0.3 7,-0.4 0.855 106.2 61.5 -47.7 -40.3 -11.3 64.0 60.8 99 97 A A H 3< S+ 0 0 6 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.796 95.6 58.2 -62.8 -31.5 -11.3 61.6 63.8 100 98 A R H << S+ 0 0 44 -3,-1.5 2,-1.4 -4,-1.2 -1,-0.2 0.901 89.6 80.2 -68.2 -37.6 -14.9 60.4 63.2 101 99 A D X - 0 0 53 -4,-1.1 4,-2.3 -3,-0.4 5,-0.2 -0.535 64.5-173.7 -68.0 92.2 -13.8 59.3 59.8 102 100 A K H > S+ 0 0 38 -2,-1.4 4,-2.9 1,-0.2 5,-0.2 0.840 81.4 54.3 -60.4 -33.1 -12.1 56.0 60.8 103 101 A L H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.944 109.8 43.1 -65.6 -51.4 -10.9 55.5 57.2 104 102 A R H > S+ 0 0 90 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.909 117.5 49.8 -62.9 -37.0 -9.1 58.8 56.9 105 103 A S H X S+ 0 0 8 -4,-2.3 4,-3.0 -7,-0.4 5,-0.3 0.941 109.1 47.6 -68.4 -51.1 -7.7 58.3 60.4 106 104 A X H X S+ 0 0 34 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.906 114.3 50.4 -54.2 -42.0 -6.4 54.8 59.9 107 105 A Q H X S+ 0 0 119 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.953 111.1 47.5 -60.8 -50.4 -4.8 56.1 56.6 108 106 A L H X S+ 0 0 7 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.912 112.6 47.6 -59.3 -49.5 -3.2 59.1 58.4 109 107 A L H <>S+ 0 0 3 -4,-3.0 5,-2.2 1,-0.2 -1,-0.2 0.938 112.8 50.6 -55.0 -48.8 -1.8 57.0 61.2 110 108 A A H ><5S+ 0 0 54 -4,-2.5 3,-1.7 -5,-0.3 -2,-0.2 0.926 110.2 48.4 -57.6 -47.5 -0.5 54.5 58.7 111 109 A R H 3<5S+ 0 0 163 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.869 106.9 57.3 -62.6 -36.8 1.2 57.2 56.6 112 110 A Q T 3<5S- 0 0 77 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.303 122.7-103.4 -82.3 9.8 2.8 58.7 59.7 113 111 A G T < 5 + 0 0 48 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.585 67.3 150.7 88.0 12.8 4.5 55.4 60.6 114 112 A I < - 0 0 12 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.2 -0.681 50.9-115.4 -85.6 124.3 2.3 54.1 63.3 115 113 A D + 0 0 99 -2,-0.5 145,-2.1 143,-0.1 -1,-0.1 -0.421 44.7 167.5 -60.0 110.9 2.1 50.3 63.6 116 114 A L - 0 0 29 -2,-0.4 2,-0.2 143,-0.2 145,-0.1 -0.709 45.0 -92.1-110.5 167.5 -1.5 49.2 62.9 117 115 A P - 0 0 2 0, 0.0 65,-0.0 0, 0.0 -1,-0.0 -0.601 63.0 -83.2 -71.6 148.3 -2.7 45.6 62.2 118 116 A V - 0 0 66 -2,-0.2 63,-1.1 17,-0.1 2,-0.4 -0.351 62.6-168.8 -57.8 132.1 -2.7 44.9 58.4 119 117 A T E -F 180 0C 45 61,-0.2 2,-0.3 -3,-0.1 61,-0.3 -0.986 20.0-158.9-138.6 127.6 -6.0 46.4 57.2 120 118 A G E -F 179 0C 7 59,-4.3 59,-2.5 -2,-0.4 2,-0.4 -0.781 9.5-151.7-102.8 150.4 -8.0 46.3 54.0 121 119 A I E +F 178 0C 87 -2,-0.3 2,-0.3 57,-0.2 57,-0.2 -0.925 27.6 151.8-118.7 141.7 -10.6 48.9 52.9 122 120 A A E +F 177 0C 18 55,-1.4 55,-3.2 -2,-0.4 -2,-0.0 -0.986 26.3 175.5-165.1 160.7 -13.5 47.9 50.7 123 121 A H S S- 0 0 71 -2,-0.3 51,-0.1 53,-0.2 52,-0.1 0.513 91.3 -3.1-137.5 -57.5 -17.2 48.8 49.8 124 122 A S S S- 0 0 48 1,-0.1 43,-0.0 47,-0.1 46,-0.0 -0.477 75.4-179.4-137.9 65.6 -18.4 46.7 46.9 125 123 A P - 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