==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-NOV-96 1RFP . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR H.MOTOSHIMA,T.OHMURA,T.UEDA,T.IMOTO . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6620.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 0 0 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 K 0 0 91 0, 0.0 39,-2.6 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 137.9 2.4 10.5 9.2 2 2 A V B -A 39 0A 101 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.918 360.0-147.0-102.8 109.5 2.4 13.9 7.3 3 3 A F - 0 0 14 35,-2.7 2,-0.2 -2,-0.7 3,-0.0 -0.395 7.6-126.5 -75.2 152.2 -1.1 15.2 7.3 4 4 A G > - 0 0 36 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.618 33.4-106.8 -89.2 160.4 -2.6 17.2 4.5 5 5 A R H > S+ 0 0 88 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.949 117.1 37.1 -54.8 -55.8 -4.2 20.5 5.6 6 6 A a H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.815 113.1 58.3 -70.1 -30.4 -7.9 19.5 5.2 7 7 A E H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.929 109.5 44.8 -63.1 -45.4 -7.3 16.0 6.4 8 8 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.901 109.8 54.6 -64.9 -43.5 -5.9 17.3 9.7 9 9 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.927 110.5 47.4 -56.0 -44.2 -8.8 19.9 10.0 10 10 A A H X S+ 0 0 43 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.912 112.5 47.8 -65.4 -45.3 -11.3 17.0 9.7 11 11 A A H X S+ 0 0 15 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.886 113.8 47.8 -63.5 -40.9 -9.5 14.8 12.2 12 12 A M H <>S+ 0 0 1 -4,-2.7 5,-2.4 2,-0.2 6,-0.3 0.902 112.2 48.9 -67.0 -40.3 -9.3 17.6 14.7 13 13 A K H ><5S+ 0 0 89 -4,-2.5 3,-2.3 1,-0.2 -2,-0.2 0.953 110.2 51.5 -63.7 -46.2 -12.9 18.6 14.2 14 14 A R H 3<5S+ 0 0 189 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.799 107.2 54.5 -60.1 -31.6 -13.9 15.0 14.7 15 15 A H T 3<5S- 0 0 30 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.306 123.3-104.1 -87.1 10.3 -11.8 15.0 17.9 16 16 A G T < 5S+ 0 0 36 -3,-2.3 -3,-0.2 -5,-0.1 -2,-0.1 0.683 82.8 124.6 79.7 22.5 -13.7 18.0 19.3 17 17 A L > < + 0 0 0 -5,-2.4 3,-2.3 2,-0.1 2,-0.2 0.758 35.4 106.3 -86.3 -24.0 -11.2 20.7 18.8 18 18 A D T 3 S- 0 0 65 1,-0.3 6,-0.2 -6,-0.3 3,-0.1 -0.405 106.3 -9.0 -60.8 117.9 -13.3 23.2 16.7 19 19 A N T > S+ 0 0 95 4,-1.4 3,-2.4 1,-0.2 -1,-0.3 0.544 89.3 163.0 68.3 13.1 -14.1 26.0 19.2 20 20 A Y B X S-B 23 0B 69 -3,-2.3 3,-1.9 3,-0.6 -1,-0.2 -0.442 79.6 -5.0 -64.4 124.1 -12.7 24.1 22.2 21 21 A R T 3 S- 0 0 149 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.761 135.5 -58.3 61.5 25.3 -12.1 26.7 24.9 22 22 A G T < S+ 0 0 62 -3,-2.4 2,-0.7 1,-0.2 -1,-0.3 0.427 105.0 127.3 87.9 -0.4 -13.1 29.3 22.3 23 23 A Y B < -B 20 0B 49 -3,-1.9 -4,-1.4 -6,-0.1 -3,-0.6 -0.806 53.6-136.3 -98.1 114.7 -10.5 28.6 19.7 24 24 A S >> - 0 0 37 -2,-0.7 3,-1.4 -5,-0.2 4,-1.0 -0.171 28.1-101.6 -62.4 161.9 -11.8 28.0 16.3 25 25 A L H 3> S+ 0 0 3 1,-0.3 4,-2.2 2,-0.2 3,-0.3 0.826 118.2 64.4 -52.6 -42.5 -10.5 25.1 14.1 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.833 97.7 56.8 -53.9 -35.7 -8.2 27.4 12.1 27 27 A N H <> S+ 0 0 21 -3,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.929 108.5 45.7 -61.9 -45.5 -6.2 28.2 15.2 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.0 -3,-0.3 -2,-0.2 0.866 114.5 47.1 -66.5 -40.2 -5.4 24.5 15.8 29 29 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.910 112.7 49.7 -69.8 -39.6 -4.5 23.8 12.2 30 30 A b H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 5,-0.2 0.924 110.7 50.3 -64.4 -44.9 -2.3 26.9 12.0 31 31 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.910 110.9 48.2 -59.1 -44.4 -0.6 25.9 15.3 32 32 A A H X>S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 6,-1.2 0.898 108.4 56.1 -63.9 -42.2 0.1 22.4 13.9 33 33 A K H X5S+ 0 0 60 -4,-2.3 4,-1.4 4,-0.2 -2,-0.2 0.952 116.9 33.3 -53.4 -53.6 1.5 23.8 10.7 34 34 A F H <5S+ 0 0 59 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.723 119.4 51.3 -81.0 -20.9 4.1 25.9 12.4 35 35 A E H <5S- 0 0 31 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.932 138.3 -7.0 -80.9 -43.3 4.8 23.6 15.2 36 36 A S H ><5S- 0 0 10 -4,-2.5 3,-1.2 19,-0.4 -3,-0.2 0.375 85.5-115.1-133.9 -2.5 5.5 20.5 13.3 37 37 A N T 3< - 0 0 54 4,-3.1 3,-1.8 -2,-0.3 -1,-0.0 -0.616 25.4-108.7-106.0 164.9 15.2 22.2 24.1 47 47 A T T 3 S+ 0 0 156 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.840 116.4 61.4 -61.0 -35.0 18.1 23.9 26.0 48 48 A D T 3 S- 0 0 79 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.426 120.9-107.1 -73.2 3.7 16.6 22.8 29.3 49 49 A G S < S+ 0 0 22 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.331 83.6 120.1 90.2 -11.6 17.0 19.2 28.2 50 50 A S - 0 0 0 19,-0.1 -4,-3.1 -5,-0.1 2,-0.3 -0.360 52.9-140.1 -78.6 170.1 13.2 18.6 27.7 51 51 A T E -C 45 0C 3 -6,-0.3 9,-2.4 -3,-0.1 2,-0.4 -0.965 3.6-133.4-135.9 147.5 11.9 17.6 24.3 52 52 A D E -CD 44 59C 28 -8,-3.2 -8,-1.6 -2,-0.3 2,-0.4 -0.873 27.4-155.9-100.4 136.5 8.8 18.6 22.3 53 53 A Y E > -CD 43 58C 23 5,-2.3 5,-2.1 -2,-0.4 3,-0.4 -0.925 30.5 -27.4-125.9 135.5 6.8 15.8 20.7 54 54 A G T > 5S- 0 0 0 -12,-2.5 3,-1.6 -2,-0.4 30,-0.2 -0.075 97.1 -23.0 79.3-169.2 4.5 15.4 17.8 55 55 A I T 3 5S+ 0 0 3 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.789 141.8 32.3 -51.9 -39.1 2.0 17.3 15.7 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.282 105.7-124.2-106.9 9.9 1.5 19.9 18.5 57 57 A Q T < 5 - 0 0 12 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.907 34.1-165.2 48.6 55.9 5.0 19.7 19.9 58 58 A I E < -D 53 0C 2 -5,-2.1 -5,-2.3 -6,-0.1 2,-0.3 -0.551 18.0-118.2 -76.4 131.5 4.0 18.9 23.5 59 59 A N E >>> -D 52 0C 27 -2,-0.3 4,-2.1 -7,-0.2 3,-0.7 -0.529 7.3-146.9 -79.4 137.1 6.7 19.3 26.1 60 60 A S T 345S+ 0 0 0 -9,-2.4 14,-0.3 -2,-0.3 6,-0.3 0.520 89.9 73.2 -76.5 -12.0 8.2 16.6 28.2 61 61 A R T 345S+ 0 0 53 11,-0.2 12,-1.6 -10,-0.2 -1,-0.2 0.865 121.3 3.3 -72.2 -30.6 8.9 18.8 31.2 62 62 A W T <45S+ 0 0 122 -3,-0.7 13,-3.4 10,-0.2 -2,-0.2 0.725 131.8 39.8-122.7 -33.5 5.2 19.0 32.1 63 63 A W T <5S+ 0 0 27 -4,-2.1 13,-2.1 11,-0.3 2,-0.3 0.798 108.1 19.2 -99.4 -33.2 3.0 16.9 29.9 64 64 A c < - 0 0 0 -5,-0.7 2,-0.5 11,-0.1 10,-0.4 -0.933 67.7-116.2-138.6 161.8 4.5 13.5 29.0 65 65 A N B +e 79 0D 77 13,-2.2 15,-2.4 -2,-0.3 16,-0.4 -0.879 31.4 163.5-103.3 123.8 7.1 11.1 30.2 66 66 A D - 0 0 35 -2,-0.5 -1,-0.1 -6,-0.3 -6,-0.0 0.276 52.0-120.2-115.8 4.5 10.1 10.4 28.0 67 67 A G S S+ 0 0 65 2,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.499 99.1 72.4 72.1 4.4 12.3 9.0 30.7 68 68 A R + 0 0 119 1,-0.1 -1,-0.1 -8,-0.1 -3,-0.0 0.094 67.9 88.7-137.7 25.6 15.0 11.6 30.2 69 69 A T S > S- 0 0 10 -9,-0.1 3,-1.9 -19,-0.0 -2,-0.1 -0.843 71.1-139.6-126.6 91.4 13.7 14.8 31.6 70 70 A P T 3 S+ 0 0 117 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.275 88.2 17.1 -52.7 127.2 14.6 15.1 35.3 71 71 A G T 3 S+ 0 0 69 1,-0.2 -10,-0.0 2,-0.0 0, 0.0 0.600 84.5 164.0 85.1 10.9 11.6 16.5 37.2 72 72 A S < - 0 0 31 -3,-1.9 -10,-0.2 1,-0.1 -1,-0.2 -0.329 27.3-157.5 -58.6 144.9 9.1 15.9 34.5 73 73 A R - 0 0 156 -12,-1.6 -11,-0.2 -9,-0.1 -1,-0.1 0.658 10.3-152.6-100.0 -18.7 5.5 16.1 35.8 74 74 A N > + 0 0 34 -10,-0.4 3,-1.9 -14,-0.3 -11,-0.3 0.853 23.3 171.9 45.3 51.9 3.7 14.0 33.2 75 75 A L T 3 S+ 0 0 61 -13,-3.4 -12,-0.2 1,-0.3 -11,-0.1 0.715 75.5 51.1 -62.8 -22.5 0.4 15.8 33.6 76 76 A d T 3 S- 0 0 14 -13,-2.1 -1,-0.3 2,-0.2 -12,-0.1 0.489 102.8-134.7 -92.7 -2.7 -1.1 13.9 30.6 77 77 A N < + 0 0 133 -3,-1.9 -13,-0.1 -14,-0.2 -2,-0.1 0.911 63.1 109.9 49.3 58.9 -0.1 10.5 31.9 78 78 A I S S- 0 0 35 -15,-0.3 -13,-2.2 16,-0.0 2,-0.2 -0.988 75.4-102.5-154.9 149.6 1.3 9.1 28.7 79 79 A P B > -e 65 0D 70 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.592 37.3-120.8 -74.4 143.6 4.8 8.2 27.4 80 80 A c G > S+ 0 0 1 -15,-2.4 3,-1.5 1,-0.3 4,-0.2 0.796 109.7 69.1 -54.8 -28.6 5.9 11.0 25.0 81 81 A S G > S+ 0 0 82 -16,-0.4 3,-2.0 1,-0.3 4,-0.3 0.824 86.0 67.3 -60.4 -30.9 6.2 8.3 22.2 82 82 A A G X S+ 0 0 34 -3,-1.7 3,-0.9 1,-0.3 -1,-0.3 0.779 92.1 63.0 -60.1 -26.2 2.4 8.0 22.2 83 83 A L G < S+ 0 0 2 -3,-1.5 -28,-0.5 -4,-0.4 -1,-0.3 0.522 93.4 62.0 -77.4 -6.9 2.3 11.5 20.8 84 84 A L G < S+ 0 0 44 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.458 78.4 120.2 -98.9 -1.2 4.1 10.5 17.7 85 85 A S S < S- 0 0 55 -3,-0.9 6,-0.1 -4,-0.3 -3,-0.0 -0.102 73.5-123.5 -60.1 156.8 1.5 8.1 16.5 86 86 A S S S+ 0 0 72 2,-0.0 2,-0.7 -45,-0.0 -1,-0.1 0.668 101.4 77.2 -73.6 -18.6 -0.4 8.5 13.2 87 87 A D S > S- 0 0 89 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.868 73.8-158.4 -92.7 117.9 -3.6 8.5 15.3 88 88 A I T 3> + 0 0 6 -2,-0.7 4,-2.8 1,-0.2 3,-0.3 0.472 61.4 106.5 -80.3 1.0 -3.8 12.0 16.8 89 89 A T H 3> S+ 0 0 42 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.866 80.8 45.5 -47.2 -50.7 -6.1 11.1 19.7 90 90 A A H <> S+ 0 0 27 -3,-0.5 4,-2.3 -8,-0.2 -1,-0.2 0.907 114.1 49.3 -62.7 -43.0 -3.4 11.2 22.4 91 91 A S H > S+ 0 0 3 -4,-0.3 4,-2.6 -3,-0.3 -2,-0.2 0.919 113.5 46.9 -62.3 -42.8 -2.1 14.5 21.1 92 92 A V H X S+ 0 0 2 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.938 112.0 49.4 -64.9 -45.4 -5.5 16.0 21.0 93 93 A N H X S+ 0 0 74 -4,-2.9 4,-1.0 -5,-0.2 -1,-0.2 0.888 115.1 44.0 -61.9 -41.3 -6.5 14.8 24.5 94 94 A d H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.2 3,-0.5 0.914 109.5 56.4 -70.1 -41.6 -3.3 16.2 26.0 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.859 101.8 58.2 -57.9 -37.4 -3.7 19.5 24.0 96 96 A K H X S+ 0 0 44 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.891 107.5 46.1 -60.5 -39.4 -7.1 19.9 25.6 97 97 A K H < S+ 0 0 108 -4,-1.0 4,-0.5 -3,-0.5 3,-0.3 0.911 112.5 51.2 -69.1 -41.6 -5.6 19.8 29.1 98 98 A I H >< S+ 0 0 9 -4,-2.2 3,-1.8 1,-0.2 5,-0.3 0.961 109.5 47.8 -59.9 -52.8 -2.8 22.2 28.0 99 99 A V H 3< S+ 0 0 3 -4,-2.8 3,-0.4 1,-0.3 5,-0.4 0.687 109.3 55.1 -65.3 -18.8 -5.1 24.9 26.6 100 100 A S T 3< S+ 0 0 37 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.545 82.6 95.7 -89.0 -5.9 -7.3 24.7 29.7 101 101 A D S < S- 0 0 113 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.1 0.465 106.6 -94.7 -64.4 -9.5 -4.2 25.4 31.9 102 102 A G S S+ 0 0 65 -3,-0.4 -1,-0.1 -4,-0.1 -3,-0.1 0.025 114.9 67.7 120.6 -32.9 -4.9 29.2 32.1 103 103 A N S > S- 0 0 120 -5,-0.3 3,-1.7 1,-0.3 4,-0.1 0.353 82.6-155.2-102.7 8.2 -2.8 30.7 29.3 104 104 A G G > - 0 0 11 -5,-0.4 3,-1.3 1,-0.2 -1,-0.3 -0.215 64.7 -16.1 55.4-142.4 -4.9 29.2 26.5 105 105 A M G > S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 7,-0.3 0.500 116.1 88.1 -74.0 -4.0 -3.1 28.7 23.2 106 106 A N G < + 0 0 37 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.619 69.4 81.7 -67.6 -12.9 -0.2 31.1 24.2 107 107 A A G < S+ 0 0 57 -3,-1.3 2,-0.8 1,-0.1 -1,-0.3 0.739 83.4 68.3 -60.6 -25.8 1.2 27.8 25.6 108 108 A W S X> S- 0 0 8 -3,-1.9 4,-2.3 1,-0.2 3,-0.6 -0.873 73.4-160.6-101.4 107.7 2.3 27.2 22.0 109 109 A V H 3> S+ 0 0 74 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.831 90.9 53.2 -56.3 -35.4 5.0 29.8 21.0 110 110 A A H 3> S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 5,-0.4 0.864 109.0 50.1 -71.7 -31.2 4.5 29.3 17.3 111 111 A W H <>>S+ 0 0 12 -3,-0.6 5,-3.2 -6,-0.2 4,-2.2 0.951 112.3 47.2 -66.8 -50.1 0.7 30.0 17.7 112 112 A R H <5S+ 0 0 105 -4,-2.3 -2,-0.2 -7,-0.3 -1,-0.2 0.932 121.2 36.5 -56.4 -46.5 1.4 33.1 19.7 113 113 A N H <5S+ 0 0 116 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.734 132.9 19.4 -83.8 -22.1 4.0 34.4 17.2 114 114 A R H <5S+ 0 0 144 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.537 130.4 29.7-127.4 -11.7 2.6 33.3 13.8 115 115 A b T ><5S+ 0 0 0 -4,-2.2 3,-2.1 -5,-0.4 5,-0.2 0.705 85.9 101.3-115.3 -43.6 -1.2 32.6 14.2 116 116 A K T 3 + 0 0 78 -2,-0.2 3,-2.0 1,-0.2 4,-0.2 -0.498 53.2 170.7 -80.1 76.4 -6.8 35.4 9.6 120 120 A V G > + 0 0 8 -2,-2.2 3,-1.8 1,-0.3 4,-0.3 0.711 64.0 79.8 -62.2 -17.8 -6.7 31.8 10.8 121 121 A Q G >> S+ 0 0 112 1,-0.3 3,-1.7 -3,-0.2 4,-0.5 0.817 79.0 70.3 -59.9 -28.0 -9.9 31.1 8.9 122 122 A A G X4 S+ 0 0 40 -3,-2.0 3,-0.7 1,-0.3 -1,-0.3 0.784 84.3 70.2 -61.3 -25.1 -7.7 30.8 5.8 123 123 A W G <4 S+ 0 0 56 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.640 107.7 33.7 -68.4 -16.9 -6.3 27.5 7.2 124 124 A I G X4 S+ 0 0 49 -3,-1.7 3,-2.0 -4,-0.3 -1,-0.2 0.357 87.0 131.4-117.8 4.7 -9.5 25.6 6.7 125 125 A R T << S+ 0 0 144 -3,-0.7 3,-0.1 -4,-0.5 -119,-0.1 -0.257 75.2 15.8 -60.0 137.4 -10.6 27.4 3.6 126 126 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.3 -120,-0.0 2,-0.2 0.317 94.8 131.9 82.7 -8.3 -11.7 25.0 0.8 127 127 A a < - 0 0 23 -3,-2.0 2,-1.1 1,-0.1 -1,-0.2 -0.533 60.7-127.6 -83.0 145.6 -12.1 22.0 3.2 128 128 A R 0 0 243 -2,-0.2 -1,-0.1 1,-0.2 -118,-0.1 -0.775 360.0 360.0 -89.9 99.7 -15.0 19.7 3.2 129 129 A L 0 0 95 -2,-1.1 -1,-0.2 -5,-0.1 -2,-0.0 0.541 360.0 360.0-118.2 360.0 -15.9 19.8 6.9