==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-OCT-08 2W1X . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR M.CIANCI,J.R.HELLIWELL,A.SUZUKI . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6633.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 67.4 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 . 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,-3.1 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 133.4 10.5 1.9 9.7 2 2 A V B -A 39 0A 99 37,-0.2 37,-0.2 38,-0.1 2,-0.2 -0.926 360.0-149.2-101.5 112.0 13.8 2.0 11.4 3 3 A F - 0 0 12 35,-2.6 2,-0.2 -2,-0.7 3,-0.0 -0.490 10.0-122.4 -77.2 150.5 15.2 -1.5 11.5 4 4 A G > - 0 0 34 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.520 33.1-108.6 -76.0 159.9 17.4 -3.0 14.1 5 5 A R H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.955 118.7 36.3 -56.7 -57.0 20.8 -4.4 12.9 6 6 A a H > S+ 0 0 39 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.874 114.5 58.6 -67.3 -34.5 20.0 -8.1 13.3 7 7 A E H > S+ 0 0 88 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.926 109.6 43.1 -58.8 -47.1 16.3 -7.5 12.3 8 8 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.901 110.2 55.9 -66.0 -42.2 17.4 -6.1 9.0 9 9 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.947 109.8 47.6 -51.9 -49.3 20.0 -8.9 8.5 10 10 A A H X S+ 0 0 43 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.895 112.4 47.7 -59.7 -44.3 17.2 -11.4 9.0 11 11 A A H X S+ 0 0 19 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.908 112.3 49.3 -66.0 -42.8 14.9 -9.6 6.5 12 12 A M H <>S+ 0 0 0 -4,-3.0 5,-2.7 2,-0.2 6,-0.4 0.920 112.8 47.3 -62.8 -43.6 17.6 -9.3 3.9 13 13 A K H ><5S+ 0 0 79 -4,-2.5 3,-1.9 -5,-0.2 -2,-0.2 0.914 109.7 53.2 -62.6 -44.6 18.5 -13.0 4.2 14 14 A R H 3<5S+ 0 0 195 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.867 108.4 51.4 -59.5 -35.4 14.8 -13.9 4.0 15 15 A H T 3<5S- 0 0 33 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.230 122.2-107.1 -90.1 13.6 14.6 -11.9 0.7 16 16 A G T < 5S+ 0 0 35 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.684 83.3 124.1 77.1 21.8 17.6 -13.8 -0.7 17 17 A L > < + 0 0 0 -5,-2.7 3,-2.3 -6,-0.2 2,-0.3 0.727 39.3 108.1 -83.2 -21.4 20.1 -11.0 -0.5 18 18 A D T 3 S- 0 0 61 -6,-0.4 6,-0.2 1,-0.3 3,-0.1 -0.430 102.0 -7.4 -69.3 120.2 22.6 -13.1 1.5 19 19 A N T > S+ 0 0 95 4,-1.5 3,-2.2 -2,-0.3 -1,-0.3 0.551 91.4 162.4 62.8 16.5 25.5 -14.0 -0.8 20 20 A Y B X S-B 23 0B 72 -3,-2.3 3,-2.0 3,-0.6 -1,-0.2 -0.442 76.7 -2.1 -64.3 128.6 23.6 -12.5 -3.7 21 21 A R T 3 S- 0 0 157 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.754 135.9 -61.3 53.1 26.0 26.2 -11.9 -6.5 22 22 A G T < S+ 0 0 59 -3,-2.2 2,-0.8 1,-0.2 -1,-0.3 0.498 102.5 135.1 85.6 7.4 28.8 -13.2 -4.0 23 23 A Y B < -B 20 0B 46 -3,-2.0 -4,-1.5 -6,-0.2 -3,-0.6 -0.801 51.3-133.8 -96.3 111.6 28.1 -10.4 -1.5 24 24 A S >> - 0 0 43 -2,-0.8 3,-1.3 -5,-0.2 4,-1.1 -0.115 27.0-103.5 -58.4 157.9 27.9 -11.8 2.1 25 25 A L H 3> S+ 0 0 4 1,-0.3 4,-2.2 2,-0.2 3,-0.5 0.848 118.1 61.8 -53.5 -39.5 25.0 -10.6 4.3 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.806 98.5 58.0 -59.7 -32.3 27.3 -8.2 6.3 27 27 A N H <> S+ 0 0 19 -3,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.918 108.7 44.9 -59.8 -44.5 28.1 -6.3 3.1 28 28 A W H X S+ 0 0 0 -4,-1.1 4,-2.4 -3,-0.5 -2,-0.2 0.889 114.6 47.6 -69.3 -40.7 24.4 -5.6 2.6 29 29 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.934 112.7 49.5 -66.8 -43.6 23.8 -4.6 6.3 30 30 A b H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 5,-0.3 0.933 110.4 50.2 -58.7 -49.3 26.9 -2.4 6.3 31 31 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.944 112.0 48.0 -55.0 -49.6 25.7 -0.6 3.1 32 32 A A H X>S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 6,-1.3 0.889 107.4 57.0 -60.4 -40.9 22.2 -0.0 4.6 33 33 A K H X5S+ 0 0 64 -4,-2.5 4,-1.5 4,-0.2 -1,-0.2 0.953 116.4 33.6 -52.5 -52.1 23.8 1.3 7.8 34 34 A F H <5S+ 0 0 60 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.727 119.7 50.6 -85.7 -20.1 25.7 4.0 6.0 35 35 A E H <5S- 0 0 32 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.921 137.9 -6.6 -77.4 -44.5 23.2 4.7 3.3 36 36 A S H ><5S- 0 0 11 -4,-2.6 3,-1.6 19,-0.4 -3,-0.2 0.392 83.9-115.5-135.1 -1.6 20.1 5.1 5.5 37 37 A N T 3< - 0 0 42 4,-3.0 3,-2.3 -2,-0.3 -1,-0.0 -0.679 22.5-115.4 -93.3 154.5 21.6 14.7 -5.2 47 47 A T T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.3 4,-0.0 0.778 116.7 60.0 -59.0 -27.3 23.4 17.8 -6.7 48 48 A D T 3 S- 0 0 105 1,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.455 122.4-106.2 -80.1 -1.8 22.3 16.6 -10.2 49 49 A G S < S+ 0 0 20 -3,-2.3 -2,-0.1 1,-0.4 2,-0.1 0.291 84.3 118.4 94.0 -8.9 18.6 16.8 -9.1 50 50 A S - 0 0 0 19,-0.1 -4,-3.0 -5,-0.1 -1,-0.4 -0.314 55.1-138.0 -74.6 173.2 18.0 13.0 -8.8 51 51 A T E -C 45 0C 3 -6,-0.3 9,-2.2 -3,-0.1 2,-0.4 -0.988 1.5-134.7-135.0 146.4 17.0 11.7 -5.4 52 52 A D E -CD 44 59C 25 -8,-3.0 -8,-1.9 -2,-0.3 2,-0.4 -0.858 26.2-156.8-101.4 137.8 18.1 8.5 -3.5 53 53 A Y E > -CD 43 58C 23 5,-2.5 5,-2.0 -2,-0.4 3,-0.4 -0.942 32.3 -21.9-123.7 130.9 15.3 6.5 -1.8 54 54 A G T > 5S- 0 0 0 -12,-2.9 3,-1.7 -2,-0.4 30,-0.2 -0.130 98.4 -25.8 87.6-171.0 15.0 4.0 1.1 55 55 A I T 3 5S+ 0 0 1 28,-0.5 -19,-0.4 1,-0.3 -17,-0.3 0.785 142.0 34.0 -56.8 -29.9 17.2 1.6 3.1 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.274 105.2-124.7-112.1 13.1 19.6 1.3 0.2 57 57 A Q T < 5 - 0 0 11 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.902 33.0-164.8 49.4 53.8 19.4 4.8 -1.2 58 58 A I E < -D 53 0C 2 -5,-2.0 -5,-2.5 25,-0.1 2,-0.3 -0.577 17.3-122.3 -76.4 131.9 18.4 3.7 -4.7 59 59 A N E >>> -D 52 0C 40 -2,-0.3 4,-2.2 -7,-0.2 3,-0.8 -0.565 7.2-146.8 -91.2 135.9 18.8 6.6 -7.2 60 60 A S T 345S+ 0 0 0 -9,-2.2 6,-0.2 -2,-0.3 9,-0.1 0.552 90.9 80.5 -73.8 -11.3 16.0 8.0 -9.4 61 61 A R T 345S- 0 0 77 -10,-0.2 12,-2.3 11,-0.2 -1,-0.2 0.877 120.2 -4.8 -61.5 -38.0 18.6 8.8 -12.1 62 62 A W T <45S+ 0 0 110 -3,-0.8 13,-2.7 10,-0.2 -2,-0.2 0.681 132.2 43.6-124.8 -32.3 18.5 5.1 -13.2 63 63 A W T <5S+ 0 0 26 -4,-2.2 13,-1.9 11,-0.3 15,-0.4 0.740 103.6 22.0-110.5 -27.2 16.4 2.9 -11.1 64 64 A c < - 0 0 0 -5,-0.6 2,-0.6 9,-0.4 -1,-0.1 -0.949 69.0-112.1-140.5 160.6 13.0 4.2 -10.1 65 65 A N B +e 79 0D 80 13,-2.8 15,-2.6 -2,-0.3 16,-0.4 -0.857 35.9 157.4 -97.9 123.6 10.5 6.8 -11.2 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 -6,-0.2 8,-0.0 0.344 51.4-125.4-116.0 2.3 9.9 9.9 -9.1 67 67 A G S S+ 0 0 65 2,-0.1 -2,-0.1 -7,-0.1 0, 0.0 0.489 95.9 72.7 69.4 5.7 8.5 12.2 -11.9 68 68 A R + 0 0 122 1,-0.1 -1,-0.1 -19,-0.0 -3,-0.0 0.104 66.1 93.2-136.0 21.6 11.0 15.0 -11.3 69 69 A T > - 0 0 14 -9,-0.1 3,-1.9 3,-0.0 -2,-0.1 -0.772 69.4-145.7-118.5 84.9 14.3 13.6 -12.5 70 70 A P T 3 S+ 0 0 124 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.241 77.7 9.0 -58.0 126.5 14.6 14.8 -16.2 71 71 A G T 3 S+ 0 0 65 1,-0.3 -10,-0.0 0, 0.0 2,-0.0 0.410 99.0 130.8 95.3 0.5 16.3 12.4 -18.5 72 72 A S < - 0 0 29 -3,-1.9 -1,-0.3 1,-0.1 -10,-0.2 -0.182 48.5-130.5 -82.9 171.8 16.4 9.6 -16.1 73 73 A R - 0 0 144 -12,-2.3 -9,-0.4 -13,-0.1 -1,-0.1 -0.635 4.8-144.7-112.5 177.9 15.4 6.0 -16.4 74 74 A N > + 0 0 51 -2,-0.2 3,-1.6 -11,-0.2 -11,-0.3 -0.563 30.6 162.3-141.5 64.7 13.3 3.6 -14.3 75 75 A L T 3 S+ 0 0 55 -13,-2.7 -12,-0.2 1,-0.3 -11,-0.1 0.666 74.8 52.8 -72.6 -17.4 15.1 0.3 -14.7 76 76 A d T 3 S- 0 0 17 -13,-1.9 -1,-0.3 2,-0.2 -12,-0.1 0.459 104.0-131.9 -91.4 -3.6 13.4 -1.3 -11.7 77 77 A N < + 0 0 128 -3,-1.6 -13,-0.1 1,-0.2 -2,-0.1 0.893 65.4 114.0 53.3 49.0 10.0 -0.4 -13.1 78 78 A I S S- 0 0 31 -15,-0.4 -13,-2.8 12,-0.0 2,-0.2 -0.992 73.6-105.6-142.8 149.4 8.8 1.0 -9.8 79 79 A P B > -e 65 0D 71 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.537 34.6-125.4 -65.5 138.3 7.8 4.4 -8.3 80 80 A c G > S+ 0 0 1 -15,-2.6 3,-1.7 1,-0.3 -14,-0.1 0.831 109.4 70.1 -57.9 -30.3 10.6 5.5 -6.0 81 81 A S G > S+ 0 0 85 -16,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.824 87.4 64.9 -53.9 -32.4 7.9 5.8 -3.3 82 82 A A G X S+ 0 0 32 -3,-1.6 3,-0.9 1,-0.3 9,-0.3 0.738 91.6 64.7 -62.5 -23.1 7.8 2.0 -3.3 83 83 A L G < S+ 0 0 2 -3,-1.7 -28,-0.5 -4,-0.4 -1,-0.3 0.416 93.8 60.6 -80.6 -1.2 11.3 2.0 -2.0 84 84 A L G < S+ 0 0 43 -3,-1.9 -1,-0.2 -30,-0.2 -2,-0.2 0.374 77.9 124.7-106.6 3.7 10.2 3.7 1.2 85 85 A S S < S- 0 0 54 -3,-0.9 6,-0.1 2,-0.2 -3,-0.0 -0.169 70.5-126.5 -64.6 152.1 7.9 0.9 2.4 86 86 A S S S+ 0 0 73 2,-0.0 2,-0.6 -45,-0.0 -1,-0.1 0.802 102.1 74.3 -64.5 -29.2 8.3 -0.8 5.8 87 87 A D S S- 0 0 86 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.789 76.6-154.9 -85.2 121.8 8.4 -4.0 3.7 88 88 A I > + 0 0 6 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.398 63.7 106.3 -82.3 3.9 11.8 -4.2 2.0 89 89 A T H > S+ 0 0 49 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.898 80.8 45.8 -51.2 -52.0 10.7 -6.4 -1.0 90 90 A A H > S+ 0 0 25 -3,-0.5 4,-2.2 -8,-0.3 -1,-0.2 0.896 114.3 48.8 -60.7 -43.7 10.8 -3.6 -3.6 91 91 A S H > S+ 0 0 5 -9,-0.3 4,-2.8 -4,-0.3 -1,-0.2 0.905 113.4 47.2 -61.7 -43.5 14.2 -2.3 -2.3 92 92 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.949 111.7 49.1 -64.2 -49.5 15.7 -5.8 -2.3 93 93 A N H X S+ 0 0 92 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.2 0.908 115.4 44.6 -56.1 -44.2 14.4 -6.7 -5.8 94 94 A d H X S+ 0 0 4 -4,-2.2 4,-2.4 -5,-0.2 3,-0.5 0.920 109.5 55.2 -70.0 -42.2 15.8 -3.4 -7.2 95 95 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.862 103.0 57.6 -57.6 -35.7 19.1 -3.8 -5.4 96 96 A K H X S+ 0 0 45 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.891 108.0 46.5 -60.9 -38.0 19.5 -7.3 -7.0 97 97 A K H >< S+ 0 0 99 -4,-1.2 3,-0.6 -3,-0.5 -2,-0.2 0.927 113.1 49.0 -68.9 -44.7 19.3 -5.6 -10.4 98 98 A I H >< S+ 0 0 6 -4,-2.4 3,-1.9 1,-0.2 5,-0.3 0.939 110.2 49.5 -59.3 -49.9 21.7 -2.8 -9.5 99 99 A V H 3< S+ 0 0 3 -4,-2.7 5,-0.4 1,-0.3 3,-0.3 0.661 109.3 53.6 -70.2 -12.6 24.3 -5.2 -8.1 100 100 A S T << S+ 0 0 35 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.355 82.7 95.0 -95.3 3.1 24.1 -7.3 -11.3 101 101 A D S < S- 0 0 107 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.1 0.584 107.7 -88.3 -78.6 -14.1 24.8 -4.2 -13.5 102 102 A G S S+ 0 0 63 -3,-0.3 -3,-0.1 -4,-0.2 -1,-0.1 -0.028 114.9 65.5 135.6 -33.1 28.5 -4.8 -13.9 103 103 A N S > S- 0 0 116 -5,-0.3 3,-1.7 1,-0.3 4,-0.1 0.254 82.7-146.7-109.6 14.2 30.3 -3.0 -11.0 104 104 A G G > - 0 0 12 -5,-0.4 3,-1.2 1,-0.3 -1,-0.3 -0.242 69.9 -16.9 60.8-141.4 28.9 -5.1 -8.1 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.1 7,-0.3 0.510 114.2 92.3 -79.6 -1.4 28.4 -3.2 -4.9 106 106 A N G < + 0 0 52 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.683 68.1 79.7 -62.1 -16.1 30.6 -0.3 -6.0 107 107 A A G < S+ 0 0 58 -3,-1.2 2,-0.9 1,-0.1 -1,-0.3 0.787 84.1 68.1 -57.4 -30.2 27.3 1.2 -7.3 108 108 A W S <> S- 0 0 11 -3,-2.0 4,-2.2 1,-0.2 3,-0.3 -0.840 74.0-164.5 -93.9 104.7 26.8 2.2 -3.7 109 109 A V H > S+ 0 0 81 -2,-0.9 4,-2.8 1,-0.2 5,-0.2 0.897 88.7 54.5 -62.4 -38.3 29.4 4.8 -3.1 110 110 A A H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 5,-0.5 0.855 107.4 52.1 -61.1 -36.1 29.0 4.5 0.8 111 111 A W H >>S+ 0 0 10 -3,-0.3 5,-3.0 -6,-0.2 4,-2.1 0.950 111.4 46.1 -63.2 -47.9 29.7 0.8 0.4 112 112 A R H <5S+ 0 0 111 -4,-2.2 -2,-0.2 -7,-0.3 -1,-0.2 0.941 121.2 38.0 -59.1 -44.1 32.8 1.4 -1.5 113 113 A N H <5S+ 0 0 102 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.709 133.3 18.7 -84.1 -20.8 34.1 4.1 0.9 114 114 A R H <5S+ 0 0 140 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.615 130.9 28.4-126.9 -17.1 33.0 2.6 4.2 115 115 A b T ><5S+ 0 0 0 -4,-2.1 3,-2.1 -5,-0.5 -3,-0.2 0.742 83.5 103.1-116.5 -41.7 32.3 -1.1 3.9 116 116 A K T 3 + 0 0 95 1,-0.2 3,-1.4 -3,-0.1 4,-0.3 -0.515 57.4 167.6 -77.4 75.8 35.3 -6.7 8.6 120 120 A V G > + 0 0 16 -2,-2.2 3,-1.7 1,-0.3 4,-0.3 0.730 62.3 75.6 -70.5 -20.4 31.8 -6.7 7.4 121 121 A Q G >> S+ 0 0 87 1,-0.3 3,-1.8 -3,-0.2 4,-0.5 0.786 80.2 73.8 -58.7 -26.5 30.9 -9.9 9.3 122 122 A A G X4 S+ 0 0 37 -3,-1.4 3,-1.0 1,-0.3 -1,-0.3 0.831 85.3 66.5 -54.4 -32.8 30.8 -7.7 12.4 123 123 A W G <4 S+ 0 0 53 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.713 109.5 33.9 -64.9 -21.3 27.5 -6.4 11.1 124 124 A I G X4 S+ 0 0 36 -3,-1.8 3,-2.0 -4,-0.3 -1,-0.3 0.289 86.5 136.6-114.9 6.8 25.8 -9.8 11.5 125 125 A R T << S+ 0 0 118 -3,-1.0 3,-0.1 -4,-0.5 -119,-0.1 -0.293 78.0 5.1 -57.6 129.7 27.7 -10.8 14.7 126 126 A G T 3 S+ 0 0 80 1,-0.2 2,-0.3 -120,-0.0 -1,-0.3 0.426 94.3 138.8 77.9 -2.1 25.4 -12.3 17.3 127 127 A a < - 0 0 19 -3,-2.0 2,-0.8 1,-0.1 -1,-0.2 -0.585 57.0-126.9 -81.3 139.1 22.3 -12.3 15.0 128 128 A R 0 0 242 -2,-0.3 -118,-0.1 -3,-0.1 -1,-0.1 -0.737 360.0 360.0 -79.9 110.9 20.0 -15.3 15.0 129 129 A L 0 0 92 -2,-0.8 -119,-0.1 -116,-0.0 -123,-0.0 -0.632 360.0 360.0-125.8 360.0 19.8 -16.0 11.3