==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUL-11 3SP3 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR P.SHARMA,A.K.SOLANKI,ASHISH . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6552.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 68.2 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 . 27 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.1 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 76 0, 0.0 39,-2.9 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 130.9 9.6 1.1 9.6 2 2 A V B -A 39 0A 102 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.911 360.0-147.4 -98.3 108.8 12.9 1.3 11.4 3 3 A F - 0 0 15 35,-3.1 2,-0.2 -2,-0.8 3,-0.0 -0.456 8.7-124.5 -72.9 145.9 14.3 -2.3 11.3 4 4 A G > - 0 0 35 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.529 31.7-110.4 -76.9 158.0 16.4 -3.7 14.0 5 5 A R H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.947 117.7 38.1 -57.4 -53.3 19.8 -5.0 12.8 6 6 A a H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.842 113.6 57.5 -68.6 -34.6 19.0 -8.7 13.3 7 7 A E H > S+ 0 0 89 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.897 110.0 43.9 -59.5 -44.2 15.4 -8.2 12.1 8 8 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.891 110.6 55.4 -71.1 -37.9 16.7 -6.8 8.8 9 9 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.949 109.1 47.3 -58.9 -46.0 19.3 -9.5 8.5 10 10 A A H X S+ 0 0 46 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.865 112.6 48.6 -66.1 -35.9 16.6 -12.2 8.8 11 11 A A H X S+ 0 0 10 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.910 112.4 49.0 -69.4 -42.7 14.4 -10.5 6.3 12 12 A M H <>S+ 0 0 1 -4,-2.8 5,-2.6 2,-0.2 6,-0.3 0.894 112.7 46.9 -62.0 -43.7 17.2 -10.1 3.8 13 13 A K H ><5S+ 0 0 77 -4,-2.5 3,-2.0 -5,-0.2 -2,-0.2 0.931 109.9 53.3 -65.1 -45.9 18.3 -13.8 4.2 14 14 A R H 3<5S+ 0 0 171 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.887 107.3 52.6 -55.8 -39.1 14.7 -15.0 3.8 15 15 A H T 3<5S- 0 0 32 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.317 123.9-106.2 -80.5 6.8 14.4 -13.0 0.5 16 16 A G T < 5S+ 0 0 36 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.732 80.7 128.7 81.2 25.2 17.6 -14.7 -0.7 17 17 A L > < + 0 0 0 -5,-2.6 3,-3.1 -6,-0.1 2,-0.3 0.789 36.7 109.1 -78.9 -29.2 20.2 -11.9 -0.4 18 18 A D T 3 S- 0 0 63 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.318 104.1 -9.5 -56.6 111.7 22.7 -13.9 1.5 19 19 A N T > S+ 0 0 96 4,-1.9 3,-1.9 -2,-0.3 -1,-0.3 0.675 89.4 164.2 65.5 24.2 25.5 -14.5 -1.0 20 20 A Y B X S-B 23 0B 71 -3,-3.1 3,-2.1 3,-0.8 -1,-0.2 -0.556 80.6 -2.4 -67.4 131.1 23.5 -13.1 -3.8 21 21 A R T 3 S- 0 0 158 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.757 136.8 -61.4 50.3 25.4 26.0 -12.3 -6.6 22 22 A G T < S+ 0 0 58 -3,-1.9 2,-0.7 1,-0.2 -1,-0.3 0.520 103.4 133.2 84.6 6.6 28.6 -13.5 -4.0 23 23 A Y B < -B 20 0B 45 -3,-2.1 -4,-1.9 -6,-0.2 -3,-0.8 -0.820 51.9-133.2 -95.5 112.8 27.8 -10.8 -1.5 24 24 A S >> - 0 0 38 -2,-0.7 3,-1.3 -5,-0.2 4,-1.0 -0.121 26.9-102.6 -61.4 159.4 27.4 -12.2 2.1 25 25 A L H 3> S+ 0 0 2 1,-0.3 4,-2.2 2,-0.2 3,-0.4 0.833 119.1 62.9 -52.5 -38.8 24.5 -11.1 4.3 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.836 97.7 56.6 -59.5 -36.0 26.8 -8.8 6.3 27 27 A N H <> S+ 0 0 21 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.895 109.4 45.2 -59.3 -42.8 27.5 -6.7 3.2 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.5 -3,-0.4 -2,-0.2 0.863 114.0 47.8 -71.7 -40.3 23.8 -6.1 2.6 29 29 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.932 113.6 48.4 -66.2 -45.2 23.1 -5.3 6.3 30 30 A b H X S+ 0 0 1 -4,-2.6 4,-2.1 -5,-0.2 5,-0.3 0.944 111.1 50.9 -58.9 -47.8 26.1 -2.9 6.4 31 31 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.950 111.2 47.9 -55.0 -49.3 24.9 -1.3 3.2 32 32 A A H X>S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 6,-1.2 0.898 108.1 56.3 -58.5 -42.1 21.4 -0.8 4.6 33 33 A K H X5S+ 0 0 63 -4,-2.6 4,-1.3 4,-0.2 -1,-0.2 0.946 116.9 33.4 -55.0 -49.6 22.9 0.7 7.8 34 34 A F H <5S+ 0 0 59 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.728 120.5 49.1 -87.0 -20.0 24.8 3.4 6.0 35 35 A E H <5S- 0 0 30 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.904 138.7 -4.5 -79.8 -42.1 22.4 4.0 3.2 36 36 A S H ><5S- 0 0 9 -4,-2.5 3,-1.4 19,-0.4 -3,-0.2 0.411 84.6-117.5-134.0 -3.4 19.2 4.3 5.3 37 37 A N T 3< - 0 0 51 4,-3.4 3,-2.3 -2,-0.2 -1,-0.0 -0.681 24.3-107.3-104.2 163.3 20.9 13.8 -5.1 47 47 A T T 3 S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.801 117.1 59.3 -60.4 -31.1 22.8 16.5 -6.9 48 48 A D T 3 S- 0 0 102 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.413 122.6-103.7 -80.1 4.7 21.6 15.4 -10.3 49 49 A G S < S+ 0 0 25 -3,-2.3 -2,-0.2 1,-0.3 2,-0.1 0.400 85.5 120.7 89.7 -3.3 18.0 15.9 -9.3 50 50 A S - 0 0 0 19,-0.1 -4,-3.4 -5,-0.1 2,-0.4 -0.378 53.7-138.5 -83.5 171.4 17.3 12.2 -8.8 51 51 A T E -C 45 0C 2 -6,-0.3 9,-2.3 -2,-0.1 2,-0.4 -0.980 2.9-136.5-133.0 145.2 16.2 10.9 -5.4 52 52 A D E -CD 44 59C 24 -8,-2.6 -8,-2.0 -2,-0.4 2,-0.4 -0.872 25.8-158.5-101.1 139.0 17.2 7.7 -3.5 53 53 A Y E > -CD 43 58C 22 5,-2.1 5,-2.3 -2,-0.4 3,-0.4 -0.953 31.2 -19.5-127.5 131.6 14.5 5.7 -1.8 54 54 A G T > 5S- 0 0 0 -12,-2.7 3,-1.9 -2,-0.4 30,-0.2 -0.164 98.4 -24.3 87.3-169.5 14.1 3.2 1.0 55 55 A I T 3 5S+ 0 0 1 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.798 141.9 30.8 -59.1 -33.4 16.2 0.7 2.9 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.127 106.8-120.7-116.3 21.5 18.8 0.5 0.2 57 57 A Q T < 5 - 0 0 10 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.880 35.4-163.9 48.0 56.7 18.4 4.0 -1.3 58 58 A I E < -D 53 0C 1 -5,-2.3 -5,-2.1 25,-0.1 2,-0.2 -0.598 18.6-117.8 -78.2 133.7 17.4 2.9 -4.8 59 59 A N E >> -D 52 0C 21 -2,-0.3 4,-2.1 -7,-0.2 5,-1.1 -0.507 8.5-146.3 -90.2 140.8 17.8 5.7 -7.3 60 60 A S T 45S+ 0 0 0 -9,-2.3 6,-0.3 1,-0.2 9,-0.2 0.461 93.0 66.8 -79.1 -6.0 15.1 7.4 -9.4 61 61 A R T 45S+ 0 0 63 11,-0.2 12,-2.9 -10,-0.2 -1,-0.2 0.850 123.6 4.6 -82.3 -35.9 17.3 8.1 -12.4 62 62 A W T 45S+ 0 0 110 -3,-0.5 13,-2.8 10,-0.2 -2,-0.2 0.756 132.7 34.7-113.3 -39.3 17.8 4.4 -13.3 63 63 A W T <5S+ 0 0 29 -4,-2.1 13,-2.4 11,-0.3 15,-0.3 0.829 108.7 20.8-104.8 -38.8 15.7 2.1 -11.1 64 64 A c < - 0 0 0 -5,-1.1 2,-0.6 9,-0.2 -1,-0.1 -0.903 69.6-112.7-133.1 162.9 12.3 3.4 -10.1 65 65 A N B +e 79 0D 74 13,-2.6 15,-2.4 -2,-0.3 16,-0.4 -0.855 35.5 158.7-101.7 122.1 9.8 6.1 -11.2 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 -6,-0.3 -5,-0.0 0.281 51.6-125.3-117.2 7.2 9.2 9.1 -9.1 67 67 A G S S+ 0 0 65 2,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.538 95.5 75.3 64.6 8.0 7.8 11.3 -11.9 68 68 A R + 0 0 123 1,-0.1 -1,-0.1 -8,-0.1 -3,-0.0 0.216 68.5 89.7-131.6 18.8 10.3 14.1 -11.3 69 69 A T > - 0 0 11 -9,-0.2 3,-1.5 4,-0.0 -2,-0.1 -0.858 66.7-147.6-118.8 93.3 13.6 12.7 -12.7 70 70 A P T 3 S+ 0 0 123 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.262 86.6 28.7 -61.6 153.3 14.0 13.6 -16.4 71 71 A G T 3 S+ 0 0 54 1,-0.2 -10,-0.0 -9,-0.0 0, 0.0 0.517 93.9 167.3 73.6 5.1 15.9 11.0 -18.4 72 72 A S < - 0 0 40 -3,-1.5 2,-0.3 2,-0.0 -1,-0.2 -0.236 24.8-166.0 -57.4 128.6 14.5 8.6 -15.9 73 73 A R - 0 0 126 -12,-2.9 -9,-0.2 -3,-0.1 3,-0.1 -0.712 8.2-157.9 -97.8 167.4 14.7 4.9 -16.6 74 74 A N > + 0 0 50 -2,-0.3 3,-1.8 -11,-0.1 -11,-0.3 -0.563 24.2 164.0-143.9 63.1 12.6 2.7 -14.4 75 75 A L T 3 S+ 0 0 65 -13,-2.8 -12,-0.2 1,-0.3 -11,-0.1 0.741 76.1 50.4 -66.8 -25.0 14.5 -0.5 -14.8 76 76 A d T 3 S- 0 0 16 -13,-2.4 -1,-0.3 2,-0.2 -12,-0.1 0.491 104.4-133.6 -87.5 -2.2 12.8 -2.1 -11.8 77 77 A N < + 0 0 134 -3,-1.8 -13,-0.1 -14,-0.2 -2,-0.1 0.939 63.3 118.5 52.5 57.3 9.4 -1.1 -13.2 78 78 A I S S- 0 0 40 -15,-0.3 -13,-2.6 16,-0.0 2,-0.2 -0.997 71.6-108.2-152.4 140.6 8.2 0.2 -9.9 79 79 A P B > -e 65 0D 69 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.588 32.4-129.4 -65.9 140.6 7.0 3.5 -8.4 80 80 A c G > S+ 0 0 1 -15,-2.4 3,-2.0 1,-0.3 -14,-0.1 0.832 106.8 65.3 -63.1 -32.1 9.8 4.7 -6.1 81 81 A S G > S+ 0 0 86 -16,-0.4 3,-1.3 1,-0.3 -1,-0.3 0.788 90.7 64.9 -61.7 -26.2 7.2 5.2 -3.4 82 82 A A G X S+ 0 0 34 -3,-1.4 3,-0.7 1,-0.3 -1,-0.3 0.642 90.6 66.7 -71.3 -11.4 6.6 1.4 -3.3 83 83 A L G < S+ 0 0 2 -3,-2.0 -28,-0.5 -4,-0.3 -1,-0.3 0.266 89.2 66.0 -90.6 11.0 10.2 1.1 -2.1 84 84 A L G < S+ 0 0 41 -3,-1.3 -1,-0.2 -30,-0.2 -2,-0.1 0.350 74.9 122.4-111.7 1.6 9.4 2.8 1.2 85 85 A S S < S- 0 0 50 -3,-0.7 6,-0.1 2,-0.2 -3,-0.0 -0.146 75.0-118.8 -65.7 158.9 7.1 0.0 2.5 86 86 A S S S+ 0 0 74 1,-0.1 2,-0.6 2,-0.1 -1,-0.1 0.683 104.6 76.2 -69.1 -18.7 7.5 -1.8 5.8 87 87 A D S > S- 0 0 94 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.868 71.3-161.1 -94.4 116.1 7.8 -4.9 3.5 88 88 A I T 3> + 0 0 5 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.417 60.4 108.8 -81.7 4.7 11.2 -4.9 1.9 89 89 A T H 3> S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 80.7 42.4 -47.2 -53.4 10.2 -7.3 -0.9 90 90 A A H <> S+ 0 0 25 -3,-0.5 4,-2.2 -8,-0.2 -1,-0.2 0.888 113.6 52.0 -66.1 -41.3 10.2 -4.7 -3.7 91 91 A S H > S+ 0 0 3 -4,-0.3 4,-2.8 -9,-0.2 -1,-0.2 0.902 111.2 48.6 -59.8 -40.2 13.5 -3.1 -2.5 92 92 A V H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.932 109.9 50.2 -68.7 -46.1 15.1 -6.6 -2.5 93 93 A N H X S+ 0 0 76 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.901 114.9 44.7 -56.2 -44.0 13.9 -7.5 -6.0 94 94 A d H >X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 3,-0.6 0.931 109.3 54.7 -67.7 -44.9 15.2 -4.2 -7.3 95 95 A A H 3X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.3 5,-0.2 0.865 103.2 58.1 -56.5 -37.2 18.5 -4.5 -5.4 96 96 A K H 3X S+ 0 0 48 -4,-2.3 4,-0.6 1,-0.2 -1,-0.3 0.883 108.0 46.4 -59.3 -39.3 19.0 -7.9 -7.0 97 97 A K H << S+ 0 0 102 -4,-1.1 3,-0.5 -3,-0.6 -2,-0.2 0.915 112.5 50.1 -67.4 -43.8 18.8 -6.1 -10.4 98 98 A I H >< S+ 0 0 6 -4,-2.3 3,-1.9 1,-0.2 5,-0.3 0.936 109.4 49.1 -61.6 -48.0 21.2 -3.3 -9.4 99 99 A V H 3< S+ 0 0 3 -4,-2.8 3,-0.3 1,-0.3 5,-0.3 0.653 109.7 53.9 -72.0 -13.2 23.9 -5.6 -8.0 100 100 A S T 3< S+ 0 0 34 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.389 83.3 94.5 -93.0 2.9 23.7 -7.7 -11.2 101 101 A D S < S- 0 0 105 -3,-1.9 -1,-0.2 3,-0.2 -2,-0.1 0.540 107.2 -88.4 -80.4 -8.3 24.2 -4.6 -13.4 102 102 A G S S+ 0 0 66 -3,-0.3 -3,-0.1 -4,-0.1 -1,-0.1 -0.150 116.3 64.1 134.6 -41.2 28.0 -4.9 -13.8 103 103 A N S > S- 0 0 117 1,-0.3 3,-1.8 -5,-0.3 4,-0.1 0.313 84.1-148.7 -99.3 9.8 29.7 -3.1 -10.9 104 104 A G G > - 0 0 12 -5,-0.3 3,-1.2 1,-0.3 -1,-0.3 -0.297 69.1 -17.2 57.8-139.9 28.3 -5.3 -8.2 105 105 A M G > S+ 0 0 0 1,-0.2 3,-2.0 2,-0.1 7,-0.3 0.510 115.7 91.5 -77.9 -2.4 27.7 -3.6 -4.9 106 106 A N G < + 0 0 52 -3,-1.8 -1,-0.2 1,-0.3 6,-0.2 0.723 68.7 80.0 -62.2 -18.8 29.9 -0.6 -5.9 107 107 A A G < S+ 0 0 56 -3,-1.2 2,-0.9 1,-0.1 -1,-0.3 0.799 81.4 73.0 -54.0 -30.1 26.6 0.8 -7.2 108 108 A W S <> S- 0 0 10 -3,-2.0 4,-2.8 1,-0.2 5,-0.2 -0.801 71.5-161.9 -94.5 106.7 26.0 1.8 -3.5 109 109 A V H > S+ 0 0 85 -2,-0.9 4,-2.5 1,-0.2 5,-0.2 0.894 90.9 50.0 -53.0 -46.2 28.3 4.7 -2.7 110 110 A A H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 5,-0.5 0.904 110.5 50.4 -66.6 -37.4 28.0 4.1 1.1 111 111 A W H >>S+ 0 0 10 3,-0.2 5,-2.9 2,-0.2 4,-2.4 0.952 112.1 47.3 -61.0 -48.4 28.8 0.4 0.7 112 112 A R H <5S+ 0 0 104 -4,-2.8 -2,-0.2 -7,-0.3 -1,-0.2 0.934 121.2 36.2 -58.6 -43.9 31.9 1.2 -1.4 113 113 A N H <5S+ 0 0 106 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.705 133.8 20.5 -86.6 -19.8 33.1 3.9 1.1 114 114 A R H <5S+ 0 0 141 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.560 130.0 29.2-128.0 -13.1 32.1 2.3 4.4 115 115 A b T ><5S+ 0 0 0 -4,-2.4 3,-2.4 -5,-0.5 5,-0.2 0.763 85.1 99.5-116.1 -44.7 31.5 -1.4 4.0 116 116 A K T 3 + 0 0 102 1,-0.2 3,-1.7 -3,-0.1 4,-0.2 -0.447 55.4 167.2 -74.8 70.7 34.7 -6.9 8.7 120 120 A V G > + 0 0 17 -2,-2.4 3,-2.0 1,-0.3 4,-0.3 0.722 62.9 76.4 -63.5 -20.5 31.1 -7.0 7.5 121 121 A Q G > S+ 0 0 89 1,-0.3 3,-1.8 -3,-0.2 4,-0.5 0.808 80.3 72.5 -61.3 -26.4 30.4 -10.2 9.4 122 122 A A G X S+ 0 0 40 -3,-1.7 3,-0.8 1,-0.3 -1,-0.3 0.781 84.3 68.7 -54.9 -26.9 30.2 -8.0 12.5 123 123 A W G < S+ 0 0 57 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.698 106.2 36.8 -72.5 -16.4 26.8 -6.8 11.1 124 124 A I G X S+ 0 0 34 -3,-1.8 3,-1.8 -4,-0.3 -1,-0.2 0.335 86.2 133.8-114.6 7.4 25.2 -10.1 11.7 125 125 A R T < S+ 0 0 116 -3,-0.8 3,-0.1 -4,-0.5 -119,-0.1 -0.287 75.3 12.9 -57.1 132.4 27.0 -10.9 14.9 126 126 A G T 3 S+ 0 0 79 1,-0.3 2,-0.3 -120,-0.0 -1,-0.3 0.388 95.6 130.9 81.6 -5.0 24.6 -12.2 17.7 127 127 A a < - 0 0 24 -3,-1.8 2,-0.9 1,-0.0 -1,-0.3 -0.604 59.7-131.9 -82.7 142.0 21.8 -12.8 15.2 128 128 A R 0 0 238 -2,-0.3 -1,-0.0 1,-0.2 -3,-0.0 -0.834 360.0 360.0 -90.8 104.2 19.9 -16.0 15.2 129 129 A L 0 0 95 -2,-0.9 -1,-0.2 -5,-0.1 -2,-0.0 0.643 360.0 360.0-127.7 360.0 19.8 -16.8 11.5