==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-MAY-11 3AZ6 . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR S.ABE,M.TSUJIMOTO,K.YONEDA,M.OHBA,T.HIKAGE,M.TAKANO,S.KITAGA . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6634.0 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 . 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 88 0, 0.0 39,-3.0 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 131.7 -2.0 10.3 18.9 2 2 A V B -A 39 0A 97 37,-0.2 37,-0.2 38,-0.1 2,-0.2 -0.910 360.0-149.7 -97.1 112.2 -2.1 13.6 20.7 3 3 A F - 0 0 13 35,-2.9 2,-0.2 -2,-0.7 3,-0.0 -0.520 10.3-123.2 -76.6 147.4 1.4 15.0 20.8 4 4 A G > - 0 0 37 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.551 33.9-106.4 -74.7 158.4 2.8 17.2 23.6 5 5 A R H > S+ 0 0 88 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.931 118.6 38.0 -51.4 -56.7 4.2 20.5 22.4 6 6 A a H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.835 113.0 57.9 -70.7 -31.8 7.9 19.6 22.9 7 7 A E H > S+ 0 0 90 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 109.4 44.8 -63.4 -42.2 7.4 16.0 21.7 8 8 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.900 109.9 54.6 -68.2 -42.1 6.0 17.3 18.4 9 9 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.939 110.3 47.0 -55.8 -47.6 8.8 19.9 18.0 10 10 A A H X S+ 0 0 38 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.910 113.1 48.2 -61.7 -43.3 11.4 17.2 18.4 11 11 A A H X S+ 0 0 19 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.905 111.3 50.7 -64.8 -41.0 9.6 14.9 15.9 12 12 A M H <>S+ 0 0 0 -4,-3.1 5,-2.4 2,-0.2 6,-0.4 0.885 110.9 48.5 -63.8 -38.6 9.3 17.7 13.4 13 13 A K H ><5S+ 0 0 82 -4,-2.3 3,-1.5 -5,-0.2 -2,-0.2 0.918 109.2 53.0 -66.1 -44.3 13.0 18.5 13.8 14 14 A R H 3<5S+ 0 0 198 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.853 108.8 51.1 -56.9 -37.8 14.0 14.8 13.3 15 15 A H T 3<5S- 0 0 33 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.328 123.7-100.6 -90.1 6.4 11.9 14.8 10.1 16 16 A G T < 5S+ 0 0 32 -3,-1.5 -3,-0.2 -4,-0.1 -2,-0.1 0.564 84.2 121.7 95.9 12.6 13.6 17.8 8.6 17 17 A L > < + 0 0 0 -5,-2.4 3,-2.4 2,-0.1 2,-0.4 0.733 37.0 109.4 -80.4 -23.0 11.1 20.7 9.2 18 18 A D T 3 S- 0 0 71 -6,-0.4 6,-0.2 1,-0.3 3,-0.1 -0.410 106.4 -12.3 -62.3 114.5 13.4 23.0 11.2 19 19 A N T > S+ 0 0 103 4,-1.5 3,-2.3 -2,-0.4 -1,-0.3 0.587 91.2 165.2 65.6 17.3 14.1 25.9 8.8 20 20 A Y B X S-B 23 0B 61 -3,-2.4 3,-2.2 3,-0.7 -1,-0.2 -0.465 78.7 -3.8 -63.5 130.0 12.6 24.0 5.9 21 21 A R T 3 S- 0 0 154 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.777 136.8 -59.7 48.9 30.1 12.0 26.5 3.0 22 22 A G T < S+ 0 0 54 -3,-2.3 2,-0.8 1,-0.2 -1,-0.3 0.475 103.6 133.6 85.1 3.9 13.2 29.1 5.6 23 23 A Y B < -B 20 0B 47 -3,-2.2 -4,-1.5 -6,-0.1 -3,-0.7 -0.789 51.4-134.9 -95.2 111.3 10.5 28.3 8.2 24 24 A S >> - 0 0 46 -2,-0.8 3,-1.6 -5,-0.2 4,-0.9 -0.157 28.2-102.8 -60.0 155.6 11.8 28.0 11.8 25 25 A L H 3> S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 3,-0.4 0.812 118.0 63.0 -50.1 -40.0 10.5 25.1 13.9 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.810 97.0 58.5 -57.8 -34.8 8.2 27.3 15.9 27 27 A N H <> S+ 0 0 18 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.910 108.5 44.6 -59.0 -45.9 6.2 28.1 12.7 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.2 -3,-0.4 -2,-0.2 0.875 114.0 49.0 -67.9 -39.9 5.4 24.4 12.2 29 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.927 112.2 48.7 -65.5 -45.8 4.5 23.8 15.8 30 30 A b H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.911 110.5 51.4 -59.0 -46.6 2.2 26.8 15.9 31 31 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.931 111.0 47.8 -57.7 -46.5 0.5 25.7 12.6 32 32 A A H X>S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 6,-1.2 0.883 107.6 57.0 -65.1 -38.0 -0.1 22.3 14.0 33 33 A K H X5S+ 0 0 63 -4,-2.4 4,-1.5 4,-0.2 -1,-0.2 0.954 115.3 35.0 -54.3 -51.4 -1.5 23.7 17.3 34 34 A F H <5S+ 0 0 61 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.760 120.7 48.3 -83.3 -23.2 -4.2 25.7 15.6 35 35 A E H <5S- 0 0 38 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.925 137.8 -4.2 -74.8 -48.5 -4.9 23.2 12.8 36 36 A S H ><5S- 0 0 11 -4,-2.5 3,-1.3 19,-0.5 -3,-0.2 0.436 83.3-117.5-129.8 -4.8 -5.2 20.0 14.9 37 37 A N T 3< - 0 0 46 4,-3.1 3,-2.2 -2,-0.3 -1,-0.0 -0.614 23.9-111.1 -94.2 156.8 -14.4 21.8 4.2 47 47 A T T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.808 116.9 59.1 -56.9 -31.2 -17.2 23.8 2.6 48 48 A D T 3 S- 0 0 101 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.471 122.3-103.5 -79.6 -2.1 -16.1 22.6 -0.8 49 49 A G S < S+ 0 0 22 -3,-2.2 -2,-0.1 1,-0.4 -1,-0.1 0.268 86.0 118.3 97.0 -10.9 -16.6 18.9 0.1 50 50 A S - 0 0 0 19,-0.1 -4,-3.1 -5,-0.1 -1,-0.4 -0.299 56.3-134.4 -74.1 171.4 -12.9 18.2 0.5 51 51 A T E -C 45 0C 3 -6,-0.3 9,-2.4 -3,-0.1 2,-0.4 -0.974 2.3-135.1-132.0 144.3 -11.6 17.1 4.0 52 52 A D E -CD 44 59C 25 -8,-2.9 -8,-1.8 -2,-0.3 2,-0.4 -0.855 26.5-159.2 -97.4 138.2 -8.5 18.1 6.0 53 53 A Y E > -CD 43 58C 23 5,-2.3 5,-2.2 -2,-0.4 3,-0.4 -0.960 32.2 -20.1-127.1 131.8 -6.4 15.3 7.6 54 54 A G T > 5S- 0 0 0 -12,-2.6 3,-1.5 -2,-0.4 30,-0.2 -0.136 98.7 -25.9 87.0-168.6 -4.0 15.0 10.4 55 55 A I T 3 5S+ 0 0 3 28,-0.5 -19,-0.5 1,-0.3 -17,-0.3 0.760 140.8 33.7 -61.5 -28.7 -1.6 17.2 12.4 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.219 106.6-121.9-112.0 13.3 -1.3 19.8 9.7 57 57 A Q T < 5 - 0 0 9 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.921 36.3-166.0 50.9 56.2 -4.8 19.5 8.3 58 58 A I E < -D 53 0C 2 -5,-2.2 -5,-2.3 25,-0.1 2,-0.3 -0.585 16.2-122.6 -80.2 134.3 -3.7 18.6 4.8 59 59 A N E >>> -D 52 0C 28 -2,-0.3 4,-2.2 -7,-0.2 3,-0.8 -0.564 8.3-145.6 -94.4 140.0 -6.5 18.8 2.3 60 60 A S T 345S+ 0 0 0 -9,-2.4 6,-0.2 -2,-0.3 13,-0.2 0.589 90.0 80.1 -72.8 -13.6 -7.9 16.1 -0.1 61 61 A R T 345S- 0 0 77 -10,-0.2 12,-2.2 11,-0.2 -1,-0.2 0.871 121.0 -4.4 -62.0 -36.3 -8.7 18.7 -2.8 62 62 A W T <45S+ 0 0 106 -3,-0.8 13,-2.8 10,-0.2 -2,-0.2 0.683 131.7 45.2-123.4 -33.9 -5.0 18.6 -3.9 63 63 A W T <5S+ 0 0 28 -4,-2.2 13,-1.8 11,-0.3 15,-0.3 0.736 103.7 19.3-105.5 -25.9 -2.8 16.5 -1.7 64 64 A c < - 0 0 0 -5,-0.5 2,-0.6 9,-0.4 11,-0.1 -0.957 68.8-110.2-143.3 160.9 -4.1 13.1 -0.8 65 65 A N B +e 79 0D 80 13,-2.8 15,-2.5 -2,-0.3 16,-0.4 -0.850 36.4 156.8 -97.7 123.0 -6.7 10.6 -2.0 66 66 A D - 0 0 35 -2,-0.6 -1,-0.1 -6,-0.2 8,-0.0 0.363 52.0-124.7-118.1 2.3 -9.8 10.0 0.1 67 67 A G S S+ 0 0 66 2,-0.1 -2,-0.1 -7,-0.1 0, 0.0 0.478 95.8 73.4 73.3 3.0 -12.0 8.6 -2.7 68 68 A R + 0 0 119 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.087 64.8 93.5-138.0 26.2 -14.8 11.2 -2.0 69 69 A T S > S- 0 0 14 -9,-0.1 3,-1.8 -19,-0.0 -2,-0.1 -0.824 70.8-138.5-121.1 91.6 -13.5 14.5 -3.3 70 70 A P T 3 S+ 0 0 122 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.178 80.5 3.4 -55.1 132.6 -14.7 15.0 -6.9 71 71 A G T 3 S+ 0 0 75 1,-0.2 -10,-0.0 0, 0.0 2,-0.0 0.505 99.8 138.8 77.6 5.9 -12.2 16.4 -9.4 72 72 A S < - 0 0 29 -3,-1.8 2,-0.2 1,-0.1 -10,-0.2 -0.205 44.0-133.8 -80.6 169.3 -9.5 16.5 -6.8 73 73 A R - 0 0 141 -12,-2.2 -9,-0.4 -13,-0.2 -1,-0.1 -0.661 5.7-145.3-114.8 174.3 -5.8 15.5 -7.1 74 74 A N > + 0 0 48 -2,-0.2 3,-1.6 -11,-0.2 -11,-0.3 -0.559 30.2 161.6-138.8 66.7 -3.5 13.4 -5.0 75 75 A L T 3 S+ 0 0 61 -13,-2.8 -12,-0.2 1,-0.3 -11,-0.1 0.737 75.6 52.7 -69.6 -24.5 -0.1 15.3 -5.4 76 76 A d T 3 S- 0 0 13 -13,-1.8 -1,-0.3 2,-0.1 -12,-0.1 0.509 104.7-132.0 -85.1 -3.7 1.5 13.7 -2.3 77 77 A N < + 0 0 129 -3,-1.6 -13,-0.1 1,-0.2 -2,-0.1 0.917 64.5 114.8 53.7 52.5 0.5 10.2 -3.8 78 78 A I S S- 0 0 32 -15,-0.3 -13,-2.8 16,-0.0 2,-0.2 -0.989 73.3-105.3-146.2 148.8 -0.9 8.9 -0.5 79 79 A P B > -e 65 0D 71 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.600 36.4-124.0 -68.8 141.6 -4.3 7.8 0.9 80 80 A c G > S+ 0 0 2 -15,-2.5 3,-1.9 1,-0.3 -14,-0.1 0.823 109.5 68.9 -58.1 -29.6 -5.5 10.6 3.2 81 81 A S G > S+ 0 0 82 -16,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.784 85.7 68.1 -59.1 -28.8 -5.7 8.0 6.0 82 82 A A G X S+ 0 0 31 -3,-1.7 3,-0.8 1,-0.3 8,-0.3 0.743 91.5 62.9 -60.2 -23.1 -1.9 7.9 6.0 83 83 A L G < S+ 0 0 1 -3,-1.9 -28,-0.5 -4,-0.4 -1,-0.3 0.461 94.9 60.3 -82.1 -2.7 -2.0 11.4 7.4 84 84 A L G < S+ 0 0 43 -3,-1.9 -1,-0.2 -30,-0.2 -2,-0.2 0.422 78.5 120.8-104.3 -1.4 -3.7 10.2 10.5 85 85 A S S < S- 0 0 53 -3,-0.8 6,-0.1 -4,-0.2 -3,-0.0 -0.175 73.1-124.0 -60.9 151.6 -0.9 7.8 11.7 86 86 A S S S+ 0 0 75 2,-0.0 2,-0.6 -45,-0.0 -1,-0.1 0.770 102.4 76.6 -66.5 -24.7 0.8 8.2 15.0 87 87 A D S S- 0 0 85 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.803 74.0-158.4 -85.7 120.7 4.0 8.4 12.9 88 88 A I > + 0 0 6 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.389 61.6 106.3 -86.0 4.1 4.1 11.9 11.3 89 89 A T H > S+ 0 0 46 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.890 80.9 46.3 -50.2 -50.4 6.4 11.0 8.4 90 90 A A H > S+ 0 0 27 -3,-0.5 4,-2.3 -8,-0.3 -1,-0.2 0.904 113.4 49.3 -64.8 -39.8 3.7 11.1 5.7 91 91 A S H > S+ 0 0 5 -9,-0.3 4,-2.5 -4,-0.3 -1,-0.2 0.904 113.3 47.0 -64.6 -42.1 2.3 14.4 7.0 92 92 A V H X S+ 0 0 3 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.948 112.3 48.8 -64.5 -49.7 5.8 15.9 7.1 93 93 A N H X S+ 0 0 83 -4,-2.8 4,-1.2 -5,-0.2 -2,-0.2 0.897 114.6 45.3 -57.9 -43.0 6.8 14.7 3.6 94 94 A d H X S+ 0 0 3 -4,-2.3 4,-2.0 -5,-0.2 3,-0.3 0.906 110.0 55.0 -68.0 -40.2 3.5 16.0 2.2 95 95 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.859 102.3 57.8 -59.9 -36.6 3.9 19.3 4.1 96 96 A K H X S+ 0 0 45 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.901 107.8 47.2 -60.1 -40.5 7.3 19.8 2.5 97 97 A K H < S+ 0 0 102 -4,-1.2 4,-0.4 -3,-0.3 3,-0.3 0.902 112.8 49.3 -64.2 -41.9 5.6 19.6 -1.0 98 98 A I H >< S+ 0 0 8 -4,-2.0 3,-1.5 1,-0.2 5,-0.3 0.926 109.4 49.3 -65.5 -47.2 2.9 22.0 0.1 99 99 A V H 3< S+ 0 0 5 -4,-2.6 3,-0.3 1,-0.3 5,-0.3 0.661 110.4 52.8 -71.0 -15.1 5.2 24.7 1.5 100 100 A S T 3< S+ 0 0 38 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.503 83.9 93.3 -90.4 -6.9 7.3 24.5 -1.7 101 101 A D S < S- 0 0 108 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.1 0.533 107.8 -88.1 -74.9 -9.8 4.2 25.0 -3.9 102 102 A G S S+ 0 0 63 -3,-0.3 -1,-0.1 -4,-0.2 -3,-0.1 -0.120 115.2 63.0 137.4 -41.9 4.6 28.8 -4.2 103 103 A N S > S- 0 0 122 1,-0.3 3,-1.7 -5,-0.3 -3,-0.1 0.308 84.3-148.3-100.9 9.5 2.8 30.6 -1.3 104 104 A G G > - 0 0 10 -5,-0.3 3,-1.5 1,-0.3 -1,-0.3 -0.278 68.4 -16.2 59.4-140.7 5.0 29.1 1.4 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.2 2,-0.2 7,-0.3 0.566 117.2 88.5 -78.9 -4.5 3.2 28.6 4.7 106 106 A N G < + 0 0 48 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.685 68.5 82.5 -61.8 -14.8 0.4 30.9 3.7 107 107 A A G < S+ 0 0 56 -3,-1.5 2,-0.8 1,-0.2 -1,-0.3 0.755 83.5 65.4 -58.5 -25.9 -1.1 27.6 2.2 108 108 A W S X> S- 0 0 10 -3,-2.2 4,-2.0 1,-0.2 3,-0.6 -0.889 74.1-162.8 -97.8 104.9 -2.3 27.1 5.8 109 109 A V H 3> S+ 0 0 80 -2,-0.8 4,-2.8 1,-0.3 5,-0.2 0.886 91.0 56.8 -54.4 -40.5 -4.8 29.8 6.5 110 110 A A H 3> S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 5,-0.4 0.849 105.6 50.8 -59.9 -37.7 -4.5 29.2 10.3 111 111 A W H <>>S+ 0 0 12 -3,-0.6 5,-3.1 -6,-0.2 4,-2.3 0.953 112.2 46.1 -63.9 -47.9 -0.7 29.8 10.0 112 112 A R H <5S+ 0 0 110 -4,-2.0 -2,-0.2 -7,-0.3 -1,-0.2 0.916 120.4 39.4 -58.5 -42.8 -1.3 33.1 8.2 113 113 A N H <5S+ 0 0 102 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.741 132.4 18.0 -83.9 -23.6 -4.0 34.2 10.6 114 114 A R H <5S+ 0 0 140 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.576 131.7 27.9-127.5 -14.0 -2.6 33.0 13.9 115 115 A b T ><5S+ 0 0 0 -4,-2.3 3,-2.3 -5,-0.4 -3,-0.2 0.720 84.1 104.2-119.0 -42.1 1.2 32.4 13.6 116 116 A K T 3 + 0 0 98 1,-0.2 3,-1.4 -3,-0.1 4,-0.2 -0.533 56.2 168.6 -80.3 78.6 6.7 35.2 18.4 120 120 A V G > + 0 0 16 -2,-2.1 3,-1.8 1,-0.3 4,-0.3 0.726 63.2 75.7 -69.6 -20.9 6.7 31.7 17.1 121 121 A Q G >> S+ 0 0 92 1,-0.3 3,-2.0 -3,-0.2 4,-0.6 0.804 80.4 73.6 -59.3 -27.7 9.9 30.7 19.0 122 122 A A G X4 S+ 0 0 40 -3,-1.4 3,-0.5 1,-0.3 -1,-0.3 0.786 84.9 66.5 -56.6 -27.1 7.7 30.6 22.1 123 123 A W G <4 S+ 0 0 53 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.717 109.2 34.4 -70.2 -19.9 6.3 27.3 20.7 124 124 A I G X4 S+ 0 0 33 -3,-2.0 3,-1.6 -4,-0.3 -1,-0.2 0.351 87.9 128.3-114.1 3.8 9.6 25.6 21.2 125 125 A R T << S+ 0 0 126 -4,-0.6 3,-0.1 -3,-0.5 -119,-0.1 -0.358 76.6 13.5 -63.7 134.4 10.7 27.4 24.4 126 126 A G T 3 S+ 0 0 81 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.412 96.3 133.1 82.2 -1.5 11.8 25.0 27.2 127 127 A a < - 0 0 23 -3,-1.6 2,-0.7 -122,-0.0 -1,-0.3 -0.590 57.0-132.1 -87.0 143.4 12.0 22.0 24.9 128 128 A R 0 0 238 -2,-0.3 -118,-0.1 -3,-0.1 -1,-0.0 -0.856 360.0 360.0 -90.3 112.6 14.8 19.5 24.9 129 129 A L 0 0 95 -2,-0.7 -119,-0.1 -120,-0.0 -122,-0.0 -0.922 360.0 360.0-152.7 360.0 15.7 19.1 21.2