==== 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 24-JUN-99 1QSW . COMPND 2 MOLECULE: HUMAN LYSOZYME MUTANT; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.INAKA,E.KANAYA,M.KIKUCHI,K.MIKI . 520 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25670.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 44 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 18.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 3.5 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 4 0 0 0 7 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 5 4 0 4 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 4 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,-2.5 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 128.1 -8.6 -3.3 -11.9 2 2 A V B -A 39 0A 92 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.926 360.0-143.0-107.3 112.1 -5.5 -1.6 -13.2 3 3 A F - 0 0 12 35,-2.6 2,-0.3 -2,-0.7 3,-0.0 -0.409 8.9-126.6 -74.4 148.8 -5.6 2.1 -12.5 4 4 A E > - 0 0 145 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.672 37.0-109.8 -84.3 150.5 -4.3 4.8 -14.8 5 5 A R H > S+ 0 0 84 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.879 113.0 40.5 -52.5 -55.5 -1.8 7.0 -12.8 6 6 A a H > S+ 0 0 25 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.857 111.4 58.3 -66.3 -32.6 -3.7 10.3 -12.4 7 7 A E H > S+ 0 0 60 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.941 111.8 41.9 -58.7 -45.9 -7.0 8.4 -11.8 8 8 A L H X S+ 0 0 0 -4,-2.0 4,-3.4 2,-0.2 5,-0.3 0.940 111.2 54.6 -71.3 -46.3 -5.3 6.8 -8.8 9 9 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.912 113.4 43.5 -53.8 -44.7 -3.6 10.0 -7.7 10 10 A R H X S+ 0 0 115 -4,-3.2 4,-2.2 2,-0.2 -1,-0.2 0.872 113.7 50.7 -68.8 -37.3 -7.0 11.7 -7.6 11 11 A T H X S+ 0 0 18 -4,-2.2 4,-1.6 -5,-0.3 -2,-0.2 0.916 111.6 47.1 -67.7 -40.8 -8.7 8.7 -5.9 12 12 A L H <>S+ 0 0 0 -4,-3.4 5,-2.1 2,-0.2 6,-0.3 0.867 111.2 53.1 -64.6 -35.7 -6.0 8.6 -3.2 13 13 A K H ><5S+ 0 0 92 -4,-1.9 3,-1.5 -5,-0.3 5,-0.2 0.934 108.2 49.1 -62.3 -49.2 -6.4 12.4 -2.7 14 14 A R H 3<5S+ 0 0 180 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.855 107.0 56.9 -58.2 -36.5 -10.1 12.1 -2.2 15 15 A L T 3<5S- 0 0 56 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.395 120.0-104.1 -79.8 1.1 -9.7 9.3 0.3 16 16 A G T < 5S+ 0 0 39 -3,-1.5 -3,-0.2 -4,-0.1 -2,-0.1 0.775 80.2 128.5 84.3 28.9 -7.5 11.4 2.6 17 17 A M > < + 0 0 0 -5,-2.1 3,-2.1 2,-0.1 2,-0.4 0.719 36.8 104.7 -87.6 -26.7 -4.0 9.9 1.9 18 18 A D T 3 S- 0 0 81 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.462 105.1 -6.6 -62.0 112.7 -2.2 13.1 1.1 19 19 A G T > S+ 0 0 31 4,-1.8 3,-2.9 -2,-0.4 -1,-0.3 0.433 87.2 165.6 80.2 4.1 -0.1 13.8 4.2 20 20 A Y G X S- 0 0 59 -3,-2.1 3,-1.8 3,-0.4 -1,-0.3 -0.374 82.4 -8.8 -54.9 119.1 -1.6 10.9 6.1 21 21 A R G 3 S- 0 0 158 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.819 132.1 -59.7 57.0 34.3 0.8 10.4 9.0 22 22 A G G < S+ 0 0 46 -3,-2.9 2,-0.6 1,-0.2 -1,-0.3 0.586 104.6 137.6 71.3 12.4 3.1 12.9 7.2 23 23 A I < - 0 0 19 -3,-1.8 -4,-1.8 -6,-0.1 -3,-0.4 -0.833 50.1-130.6 -94.9 122.9 3.3 10.6 4.2 24 24 A S > - 0 0 9 -2,-0.6 4,-1.9 -5,-0.2 3,-0.2 -0.269 13.2-120.3 -74.9 159.5 3.0 12.4 0.9 25 25 A L H > S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.862 115.8 56.0 -60.9 -41.5 0.7 11.5 -2.0 26 26 A A H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.814 106.9 50.9 -62.3 -32.8 3.8 11.1 -4.2 27 27 A N H > S+ 0 0 27 2,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.870 109.6 48.5 -71.5 -40.6 5.1 8.5 -1.7 28 28 A W H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.866 113.5 48.2 -68.0 -36.1 1.8 6.5 -1.6 29 29 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.915 110.1 51.2 -68.0 -44.4 1.8 6.6 -5.5 30 30 A b H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.912 111.0 49.9 -60.1 -44.3 5.4 5.4 -5.6 31 31 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.959 112.3 44.6 -57.4 -57.2 4.6 2.5 -3.2 32 32 A A H X>S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 6,-1.4 0.878 111.5 56.0 -58.7 -37.3 1.5 1.3 -5.2 33 33 A K H X5S+ 0 0 59 -4,-2.2 4,-1.3 4,-0.2 -1,-0.2 0.969 116.5 33.3 -60.9 -50.8 3.5 1.6 -8.4 34 34 A W H <5S+ 0 0 112 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.744 120.1 50.0 -79.6 -28.5 6.3 -0.7 -7.2 35 35 A E H <5S- 0 0 43 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.893 137.2 -6.3 -77.5 -45.0 4.3 -3.0 -5.1 36 36 A S H ><5S- 0 0 21 -4,-2.3 3,-0.7 20,-0.4 -3,-0.2 0.414 81.6-115.4-133.1 -3.9 1.5 -3.8 -7.7 37 37 A G T 3<>> -B 51 0B 38 5,-4.3 5,-1.4 -2,-0.4 4,-0.9 -0.826 14.6-177.1 -99.7 90.8 5.9 -15.2 0.7 47 47 A A T 345S+ 0 0 77 -2,-0.9 3,-0.4 1,-0.3 -1,-0.2 0.830 79.8 66.0 -54.6 -36.3 7.4 -18.8 0.8 48 48 A G T 345S+ 0 0 81 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.917 121.2 12.2 -56.2 -53.6 9.7 -17.5 3.5 49 49 A D T <45S- 0 0 86 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.090 101.4-112.3-120.8 29.5 7.0 -16.9 6.1 50 50 A R T <5S+ 0 0 187 -4,-0.9 2,-0.3 -3,-0.4 -3,-0.2 0.899 75.5 124.7 43.0 58.0 4.0 -18.7 4.6 51 51 A S E < -B 46 0B 0 -5,-1.4 -5,-4.3 16,-0.0 2,-0.4 -0.922 50.7-136.8-140.0 160.8 2.1 -15.4 4.1 52 52 A T E -B 45 0B 35 -2,-0.3 9,-1.8 -7,-0.3 2,-0.4 -0.963 6.5-145.1-124.4 140.1 0.4 -13.6 1.2 53 53 A D E -BC 44 60B 22 -9,-2.9 -9,-1.7 -2,-0.4 2,-0.4 -0.879 24.0-152.9-103.7 133.7 0.4 -9.9 0.2 54 54 A Y E > -BC 43 59B 50 5,-3.0 5,-2.2 -2,-0.4 3,-0.3 -0.891 29.9 -33.2-120.9 144.1 -2.8 -8.5 -1.3 55 55 A G T > 5S- 0 0 0 -13,-1.9 3,-0.7 -2,-0.4 -16,-0.2 -0.028 97.1 -16.5 62.7-155.0 -3.8 -5.8 -3.7 56 56 A I T 3 5S+ 0 0 3 28,-0.4 -20,-0.4 1,-0.3 -18,-0.3 0.810 140.1 30.5 -58.4 -39.3 -2.7 -2.4 -4.7 57 57 A F T 3 5S- 0 0 2 -3,-0.3 -1,-0.3 -22,-0.1 -2,-0.2 0.341 106.3-122.9-100.1 0.5 -0.5 -1.7 -1.6 58 58 A Q T < 5 - 0 0 12 -3,-0.7 2,-0.3 -4,-0.2 -3,-0.2 0.955 37.1-168.4 52.0 59.2 0.5 -5.4 -1.2 59 59 A I E < -C 54 0B 4 -5,-2.2 -5,-3.0 25,-0.1 -1,-0.2 -0.608 20.5-114.7 -79.7 132.0 -0.8 -5.6 2.4 60 60 A N E > -C 53 0B 32 -2,-0.3 3,-1.3 -7,-0.3 4,-0.5 -0.333 16.3-119.1 -68.6 146.9 0.2 -8.8 4.3 61 61 A S G >>>S+ 0 0 8 -9,-1.8 4,-4.3 1,-0.3 5,-2.3 0.754 106.7 79.4 -60.4 -23.6 -2.3 -11.4 5.4 62 62 A R G 345S+ 0 0 50 1,-0.3 -1,-0.3 3,-0.2 12,-0.1 0.935 98.7 45.4 -48.8 -43.6 -1.2 -10.8 9.1 63 63 A Y G <45S+ 0 0 30 -3,-1.3 14,-2.8 1,-0.1 16,-0.3 0.681 129.3 21.2 -74.4 -23.4 -3.5 -7.7 8.7 64 64 A c T <45S+ 0 0 11 -3,-0.9 17,-0.4 -4,-0.5 -2,-0.2 0.586 135.1 31.7-121.3 -21.5 -6.5 -9.5 7.1 65 65 A A T <5S- 0 0 66 -4,-4.3 -3,-0.2 15,-0.2 -2,-0.1 0.775 91.4-151.7 -96.4 -49.0 -6.2 -13.2 7.9 66 66 A N < - 0 0 72 -5,-2.3 -4,-0.2 1,-0.1 -3,-0.1 0.966 32.4 -96.8 68.3 87.5 -4.5 -12.5 11.2 67 67 A D - 0 0 69 1,-0.2 -1,-0.1 3,-0.1 -5,-0.0 0.010 31.3-129.3 -37.7 113.5 -2.3 -15.5 11.8 68 68 A G S S+ 0 0 73 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.457 84.8 24.4 -46.7 -11.7 -4.4 -17.8 14.0 69 69 A K S S+ 0 0 161 1,-0.1 3,-0.0 0, 0.0 -3,-0.0 -0.958 118.2 17.0-154.6 158.8 -1.5 -18.3 16.6 70 70 A T S S- 0 0 139 -2,-0.3 2,-1.5 1,-0.2 -2,-0.1 0.835 74.1-164.4 39.5 54.9 1.7 -16.5 17.7 71 71 A P > - 0 0 81 0, 0.0 3,-0.7 0, 0.0 2,-0.5 -0.052 14.5-138.8 -63.5 30.2 0.4 -13.2 16.2 72 72 A G T 3 - 0 0 77 -2,-1.5 -2,-0.0 1,-0.2 -10,-0.0 -0.399 50.5 -80.6 53.4-105.5 3.5 -11.0 16.0 73 73 A A T 3 + 0 0 88 -2,-0.5 2,-0.2 -3,-0.0 -1,-0.2 0.048 69.4 156.6 167.6 66.5 1.9 -7.7 17.1 74 74 A V < - 0 0 57 -3,-0.7 2,-1.6 -12,-0.1 25,-0.1 -0.677 51.8-114.7-111.5 161.0 -0.0 -5.9 14.3 75 75 A N - 0 0 60 -2,-0.2 27,-0.1 24,-0.1 26,-0.1 -0.611 48.4-150.7 -88.2 74.4 -2.8 -3.3 13.8 76 76 A A - 0 0 26 -2,-1.6 2,-0.2 1,-0.1 -12,-0.2 -0.128 7.8-118.9 -54.2 143.8 -5.2 -5.8 12.1 77 77 A d - 0 0 7 -14,-2.8 2,-1.8 2,-0.1 -1,-0.1 -0.564 15.4-122.2 -88.4 145.3 -7.7 -4.6 9.6 78 78 A H S S+ 0 0 155 -2,-0.2 2,-0.3 13,-0.1 -14,-0.1 -0.353 84.1 73.4 -83.6 58.6 -11.4 -4.9 10.0 79 79 A L S S- 0 0 35 -2,-1.8 2,-0.2 -16,-0.3 -2,-0.1 -0.984 81.1-103.3-161.6 163.7 -11.9 -6.9 6.8 80 80 A S > - 0 0 73 -2,-0.3 3,-1.6 1,-0.1 4,-0.3 -0.597 42.8-107.6 -88.7 157.4 -11.3 -10.3 5.1 81 81 A c G > S+ 0 0 18 -17,-0.4 3,-1.9 1,-0.3 -16,-0.1 0.767 116.5 64.9 -57.1 -32.9 -8.4 -10.6 2.6 82 82 A S G > S+ 0 0 94 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.803 89.2 67.6 -59.9 -33.1 -10.7 -10.7 -0.4 83 83 A A G < S+ 0 0 16 -3,-1.6 3,-0.5 1,-0.3 9,-0.3 0.615 91.6 64.7 -60.8 -15.7 -11.8 -7.1 0.4 84 84 A L G < S+ 0 0 7 -3,-1.9 -28,-0.4 -4,-0.3 -1,-0.3 0.363 98.2 52.9 -87.9 3.4 -8.2 -6.2 -0.6 85 85 A L S < S+ 0 0 36 -3,-2.1 -1,-0.2 -30,-0.1 -2,-0.2 0.389 81.2 115.4-118.6 -1.8 -8.7 -7.3 -4.2 86 86 A Q S S- 0 0 79 -3,-0.5 6,-0.1 -4,-0.2 -3,-0.0 -0.281 73.5-117.0 -73.7 157.5 -11.9 -5.3 -5.1 87 87 A D S S+ 0 0 84 -2,-0.1 2,-0.7 1,-0.1 -1,-0.1 0.793 100.1 72.1 -59.6 -41.4 -12.0 -2.6 -7.8 88 88 A N S > S- 0 0 108 1,-0.1 3,-0.6 -48,-0.0 4,-0.3 -0.783 71.6-159.0 -84.1 118.1 -13.1 0.1 -5.2 89 89 A I T 3> + 0 0 6 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.317 61.9 102.4 -81.3 4.1 -10.0 0.9 -3.2 90 90 A A H 3> S+ 0 0 37 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.896 83.8 45.3 -59.2 -46.7 -11.6 2.4 -0.1 91 91 A D H <> S+ 0 0 75 -3,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.918 113.9 51.9 -60.2 -46.8 -11.3 -0.7 2.2 92 92 A A H > S+ 0 0 6 -4,-0.3 4,-2.5 -9,-0.3 -2,-0.2 0.893 110.1 47.5 -54.1 -51.5 -7.7 -1.1 1.0 93 93 A V H X S+ 0 0 3 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.889 109.7 52.4 -60.6 -43.8 -6.8 2.5 1.8 94 94 A A H X S+ 0 0 49 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.861 112.9 46.5 -59.7 -38.9 -8.4 2.3 5.3 95 95 A d H >X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 3,-0.8 0.882 108.4 53.5 -71.6 -44.3 -6.4 -0.8 6.0 96 96 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.3 -2,-0.2 0.809 105.4 56.7 -57.9 -35.4 -3.1 0.8 4.6 97 97 A K H 3< S+ 0 0 38 -4,-1.8 4,-0.4 2,-0.2 -1,-0.3 0.798 108.3 47.0 -68.9 -27.0 -3.8 3.7 7.1 98 98 A R H X< S+ 0 0 62 -3,-0.8 3,-1.2 -4,-0.6 4,-0.4 0.915 110.6 51.7 -76.6 -48.9 -3.8 1.1 9.9 99 99 A V H >< S+ 0 0 5 -4,-2.4 3,-2.1 1,-0.3 6,-0.3 0.880 102.9 58.9 -47.8 -53.2 -0.7 -0.6 8.7 100 100 A V T 3< S+ 0 0 5 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.675 96.0 61.6 -56.6 -27.6 1.3 2.7 8.6 101 101 A R T < S+ 0 0 83 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.562 83.4 103.5 -78.0 -14.3 0.8 3.4 12.2 102 102 A D S X S- 0 0 20 -3,-2.1 3,-2.7 -4,-0.4 6,-0.1 -0.336 98.2 -88.4 -66.8 154.7 2.7 0.1 13.1 103 103 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.483 125.0 52.6 -43.0 -12.9 6.3 0.6 14.3 104 104 A Q T > S- 0 0 99 -5,-0.3 3,-1.7 1,-0.2 4,-0.1 0.624 82.2-168.4-103.3 -11.9 7.8 0.5 10.8 105 105 A G G X S- 0 0 23 -3,-2.7 3,-1.3 -6,-0.3 -1,-0.2 -0.345 70.9 -22.8 59.8-143.1 5.6 3.2 9.2 106 106 A I G > S+ 0 0 17 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.525 129.5 78.0 -74.5 -10.9 6.1 3.2 5.4 107 107 A R G < S+ 0 0 109 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.540 71.8 86.1 -75.9 -6.0 9.5 1.6 5.8 108 108 A A G < S+ 0 0 38 -3,-1.3 2,-0.6 -4,-0.1 -1,-0.3 0.857 79.5 68.4 -59.9 -39.3 7.5 -1.6 6.4 109 109 A W S X> S- 0 0 18 -3,-1.1 4,-1.4 1,-0.2 3,-0.6 -0.746 70.1-159.2 -90.4 120.3 7.4 -2.0 2.5 110 110 A V H 3> S+ 0 0 84 -2,-0.6 4,-2.3 1,-0.3 5,-0.3 0.891 90.8 61.0 -62.4 -45.6 10.9 -2.9 1.1 111 111 A A H 3> S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.811 104.1 51.7 -52.3 -35.7 10.0 -1.8 -2.4 112 112 A W H <>>S+ 0 0 23 -3,-0.6 5,-2.6 3,-0.2 4,-1.9 0.873 109.3 49.1 -68.3 -42.3 9.4 1.7 -1.0 113 113 A R H <5S+ 0 0 76 -4,-1.4 -2,-0.2 3,-0.2 -1,-0.2 0.845 120.9 35.6 -65.2 -35.9 12.8 1.7 0.7 114 114 A N H <5S+ 0 0 86 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.788 130.8 25.8 -87.0 -38.3 14.6 0.6 -2.5 115 115 A R H <5S+ 0 0 105 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.638 132.0 24.9-104.6 -16.6 12.6 2.4 -5.2 116 116 A b T ><5S+ 0 0 1 -4,-1.9 3,-2.2 -5,-0.3 -3,-0.2 0.786 84.4 103.0-116.3 -45.1 11.1 5.4 -3.5 117 117 A Q T 3 + 0 0 2 259,-2.2 3,-2.2 -2,-0.8 4,-0.3 0.677 53.8 90.6 -94.3 -21.1 8.7 10.8 -6.2 122 122 A R G >> S+ 0 0 86 258,-1.8 3,-1.8 1,-0.3 4,-1.3 0.721 72.6 70.2 -39.0 -44.9 7.2 14.0 -7.9 123 123 A Q G 34 S+ 0 0 102 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.739 86.7 64.9 -48.4 -36.3 6.9 12.2 -11.2 124 124 A Y G <4 S+ 0 0 22 -3,-2.2 -1,-0.3 1,-0.2 -115,-0.2 0.772 114.8 29.4 -65.2 -26.4 4.1 10.0 -10.0 125 125 A V T X4 S+ 0 0 20 -3,-1.8 3,-1.8 -4,-0.3 5,-0.4 0.514 85.1 129.6-111.5 -9.2 1.7 12.9 -9.5 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82.6 32.6 475 82 D S G > S+ 0 0 88 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.809 91.1 64.2 -57.5 -37.2 55.2 83.2 32.2 476 83 D A G X S+ 0 0 16 -3,-0.6 3,-0.5 1,-0.3 9,-0.3 0.639 93.3 64.9 -63.5 -19.9 55.9 79.5 32.7 477 84 D L G < S+ 0 0 5 -3,-1.5 -28,-0.4 -4,-0.4 -1,-0.3 0.577 99.1 52.3 -80.9 -10.5 54.0 79.0 29.5 478 85 D L G < S+ 0 0 40 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.2 0.391 83.5 118.1-101.0 -3.9 56.7 81.0 27.6 479 86 D Q S < S- 0 0 77 -3,-0.5 6,-0.1 -4,-0.3 -3,-0.0 -0.189 71.8-122.6 -63.0 160.3 59.8 78.9 28.7 480 87 D D S S+ 0 0 77 1,-0.1 2,-0.6 2,-0.0 -1,-0.1 0.847 101.0 71.4 -69.9 -36.2 62.0 76.9 26.4 481 88 D N S S- 0 0 106 1,-0.1 3,-0.4 -48,-0.0 4,-0.3 -0.767 71.1-164.5 -82.0 115.0 61.3 73.8 28.4 482 89 D I > + 0 0 6 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.355 57.9 104.1 -91.1 10.2 57.7 72.8 27.6 483 90 D A H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.892 85.5 47.8 -55.9 -45.3 56.9 70.3 30.4 484 91 D D H > S+ 0 0 70 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.938 112.2 49.0 -60.1 -47.8 54.8 72.9 32.3 485 92 D A H > S+ 0 0 5 -9,-0.3 4,-3.0 -4,-0.3 -1,-0.2 0.848 111.2 50.7 -58.8 -36.4 52.9 73.9 29.2 486 93 D V H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.909 107.9 51.7 -68.5 -43.0 52.2 70.2 28.3 487 94 D A H X S+ 0 0 58 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.935 113.4 46.0 -58.7 -47.7 50.9 69.6 31.8 488 95 D p H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 3,-0.4 0.904 109.4 53.5 -63.9 -45.6 48.6 72.6 31.4 489 96 D A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.886 105.1 54.5 -57.1 -40.5 47.4 71.6 27.9 490 97 D K H < S+ 0 0 43 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.846 110.0 49.5 -61.0 -34.6 46.4 68.1 29.2 491 98 D R H >X S+ 0 0 42 -4,-1.1 3,-1.9 -3,-0.4 4,-0.7 0.959 107.4 51.8 -67.9 -53.4 44.3 70.0 31.7 492 99 D V H >< S+ 0 0 7 -4,-2.3 3,-1.4 1,-0.3 6,-0.3 0.878 107.0 53.9 -49.1 -46.7 42.6 72.3 29.2 493 100 D V T 3< S+ 0 0 4 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.684 98.6 63.2 -68.0 -16.3 41.6 69.3 27.1 494 101 D R T <4 S+ 0 0 91 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.614 85.4 95.8 -77.5 -18.5 40.0 67.8 30.2 495 102 D D S X< S- 0 0 24 -3,-1.4 3,-1.5 -4,-0.7 6,-0.1 -0.228 102.0 -90.1 -66.1 163.6 37.6 70.8 30.1 496 103 D P T 3 S+ 0 0 141 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.586 121.7 51.0 -55.2 -22.2 34.3 70.1 28.3 497 104 D Q T > S- 0 0 111 -5,-0.3 3,-1.3 1,-0.2 4,-0.1 0.538 83.9-167.1 -96.8 -7.6 35.3 71.1 24.8 498 105 D G G X - 0 0 13 -3,-1.5 3,-1.5 -6,-0.3 -1,-0.2 -0.233 67.7 -17.6 57.1-143.4 38.5 69.0 24.6 499 106 D I G > S+ 0 0 2 1,-0.3 3,-1.8 2,-0.1 -1,-0.2 0.710 127.2 77.6 -66.0 -23.0 40.7 69.9 21.6 500 107 D R G < S+ 0 0 72 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.631 70.5 85.8 -60.7 -17.8 37.8 71.7 19.9 501 108 D A G < S+ 0 0 45 -3,-1.5 2,-0.6 -4,-0.1 -1,-0.3 0.750 80.1 70.9 -54.5 -30.2 38.4 74.6 22.3 502 109 D W <> - 0 0 20 -3,-1.8 4,-1.7 1,-0.1 3,-0.4 -0.858 69.0-159.9 -97.8 116.6 41.0 75.8 19.8 503 110 D V H > S+ 0 0 73 -2,-0.6 4,-3.0 1,-0.3 5,-0.2 0.809 91.7 61.7 -66.8 -31.2 39.4 77.2 16.6 504 111 D A H > S+ 0 0 18 2,-0.2 4,-3.2 1,-0.2 5,-0.4 0.915 104.4 49.4 -60.4 -42.3 42.7 76.7 14.7 505 112 D W H >>S+ 0 0 13 -3,-0.4 4,-3.1 -6,-0.2 5,-2.7 0.949 111.2 48.5 -60.3 -50.7 42.4 73.0 15.4 506 113 D R H <5S+ 0 0 106 -4,-1.7 -2,-0.2 -7,-0.2 -1,-0.2 0.889 119.6 39.3 -57.8 -42.5 38.8 72.9 14.2 507 114 D N H <5S+ 0 0 80 -4,-3.0 -2,-0.2 1,-0.1 -1,-0.2 0.872 130.7 21.7 -81.5 -34.7 39.8 74.8 11.0 508 115 D R H <5S+ 0 0 122 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.588 130.9 26.5-109.9 -11.1 43.1 73.3 10.1 509 116 D n T ><5S+ 0 0 1 -4,-3.1 3,-2.3 -5,-0.4 -3,-0.2 0.770 85.8 99.3-118.9 -45.9 43.4 69.9 11.7 510 117 D Q T 3 + 0 0 2 -265,-2.4 3,-1.4 -2,-0.7 4,-0.3 0.261 48.2 101.5-108.0 11.3 47.6 65.2 9.8 515 122 D R G >> + 0 0 88 -266,-0.8 3,-2.0 1,-0.3 4,-1.5 0.815 67.2 71.8 -60.5 -35.8 50.2 62.5 9.2 516 123 D Q G 34 S+ 0 0 113 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.788 88.3 65.2 -52.0 -34.6 52.6 65.1 7.6 517 124 D Y G <4 S+ 0 0 17 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.756 117.8 19.9 -66.2 -24.7 53.2 66.5 11.1 518 125 D V T X4 S+ 0 0 27 -3,-2.0 3,-1.9 -4,-0.3 5,-0.4 0.401 85.6 131.4-124.9 -1.2 54.9 63.4 12.4 519 126 D Q T 3< S+ 0 0 110 -4,-1.5 -120,-0.1 1,-0.3 -3,-0.0 -0.360 82.3 6.4 -59.8 131.3 56.0 61.5 9.3 520 127 D G T 3 S+ 0 0 79 3,-0.1 -1,-0.3 -2,-0.1 -121,-0.1 0.420 94.6 112.7 76.5 6.9 59.6 60.4 9.6 521 128 D m S < S- 0 0 3 -3,-1.9 -2,-0.1 2,-0.1 -118,-0.1 0.313 84.5-116.7 -89.3 -0.3 60.1 61.6 13.3 522 129 D G 0 0 82 1,-0.3 -3,-0.1 -4,-0.2 -4,-0.0 0.715 360.0 360.0 70.5 25.8 60.6 58.1 14.8 523 130 D V 0 0 71 -5,-0.4 -1,-0.3 -117,-0.0 -3,-0.1 -0.644 360.0 360.0-106.3 360.0 57.4 58.4 16.9