==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JUL-99 1QD2 . COMPND 2 MOLECULE: TRICHOSANTHIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHOSANTHES KIRILOWII; . AUTHOR Y.J.GU,Z.X.XIA . 247 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11490.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 12 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 1 2 1 0 1 1 0 0 1 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 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 0 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 D 0 0 143 0, 0.0 2,-0.4 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 150.8 2.4 10.8 34.7 2 2 A V E -a 50 0A 14 47,-2.1 49,-2.9 2,-0.0 2,-0.3 -0.925 360.0-162.6-120.7 141.1 1.0 8.5 37.5 3 3 A S E -a 51 0A 74 -2,-0.4 2,-0.3 47,-0.2 49,-0.2 -0.966 12.2-176.1-124.5 148.1 0.4 9.5 41.1 4 4 A F E -a 52 0A 9 47,-2.3 49,-2.3 -2,-0.3 2,-0.5 -0.965 7.5-163.6-142.7 128.0 -0.1 7.8 44.4 5 5 A R E -a 53 0A 135 -2,-0.3 49,-0.2 47,-0.2 50,-0.1 -0.950 7.5-160.1-111.8 126.8 -0.9 9.5 47.7 6 6 A L > + 0 0 2 47,-3.0 3,-2.2 -2,-0.5 2,-0.4 0.799 67.6 94.5 -78.6 -31.4 -0.4 7.5 51.0 7 7 A S T 3 S+ 0 0 78 47,-0.5 -2,-0.1 46,-0.3 46,-0.0 -0.493 106.9 2.8 -65.1 112.1 -2.6 9.8 53.1 8 8 A G T 3 S+ 0 0 75 -2,-0.4 -1,-0.3 1,-0.2 5,-0.1 0.564 96.8 158.7 85.2 11.7 -6.1 8.2 53.1 9 9 A A < - 0 0 13 -3,-2.2 2,-0.3 166,-0.1 -1,-0.2 -0.292 16.3-177.4 -73.8 146.3 -4.8 5.3 51.0 10 10 A T > - 0 0 70 1,-0.0 4,-1.8 119,-0.0 5,-0.2 -0.832 45.3 -96.8-127.8 174.3 -6.7 2.0 50.9 11 11 A S H > S+ 0 0 56 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.866 125.5 53.5 -57.6 -39.3 -6.2 -1.4 49.3 12 12 A S H > S+ 0 0 93 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 106.7 49.0 -64.5 -42.8 -8.5 -0.2 46.5 13 13 A S H > S+ 0 0 40 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.829 109.4 52.2 -77.5 -24.1 -6.6 3.0 45.8 14 14 A Y H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.913 108.6 52.2 -72.8 -38.5 -3.2 1.1 45.6 15 15 A G H X S+ 0 0 16 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.894 107.9 50.4 -60.4 -38.9 -4.9 -1.2 43.1 16 16 A V H X S+ 0 0 85 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.941 110.6 51.2 -64.7 -39.0 -6.0 1.8 41.0 17 17 A F H X S+ 0 0 3 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.924 110.9 45.7 -65.2 -45.5 -2.4 3.1 41.1 18 18 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.920 111.8 53.4 -71.4 -32.4 -0.8 -0.1 39.9 19 19 A S H X S+ 0 0 47 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.934 109.6 48.0 -60.8 -48.4 -3.4 -0.4 37.2 20 20 A N H X S+ 0 0 75 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.857 109.6 53.1 -63.9 -36.2 -2.6 3.1 36.0 21 21 A L H X S+ 0 0 1 -4,-2.0 4,-0.5 2,-0.2 3,-0.4 0.960 110.3 46.9 -66.6 -42.7 1.2 2.3 36.0 22 22 A R H >< S+ 0 0 37 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.919 111.3 52.7 -61.6 -40.2 0.6 -0.8 33.8 23 23 A K H 3< S+ 0 0 174 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.779 100.6 61.9 -67.5 -26.3 -1.6 1.3 31.5 24 24 A A H 3< S+ 0 0 43 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.626 87.1 90.4 -73.0 -16.5 1.2 3.9 31.2 25 25 A L S << S- 0 0 7 -3,-1.2 2,-0.2 -4,-0.5 42,-0.1 -0.748 77.8-130.8 -90.2 124.0 3.5 1.2 29.6 26 26 A P - 0 0 45 0, 0.0 12,-0.9 0, 0.0 2,-0.4 -0.468 24.7-163.0 -69.1 136.6 3.4 0.9 25.7 27 27 A N E -F 37 0B 69 10,-0.2 10,-0.2 1,-0.2 3,-0.1 -0.966 21.4-155.8-126.6 140.6 3.0 -2.6 24.4 28 28 A E E S- 0 0 76 8,-2.1 2,-0.2 -2,-0.4 -1,-0.2 0.971 76.6 -23.0 -64.9 -64.1 3.6 -4.1 21.0 29 29 A R E - 0 0 123 7,-0.4 7,-2.6 8,-0.1 2,-0.4 -0.654 62.7-110.0-134.5 177.0 1.2 -7.1 21.2 30 30 A K E -F 35 0B 108 5,-0.2 2,-0.5 -2,-0.2 -3,-0.0 -0.960 22.5-163.0-110.4 137.3 -0.5 -9.3 23.8 31 31 A L E > S-F 34 0B 17 3,-2.3 3,-2.2 -2,-0.4 169,-0.1 -1.000 81.9 -12.0-115.7 124.6 0.7 -12.9 24.2 32 32 A Y T 3 S- 0 0 99 -2,-0.5 -1,-0.1 1,-0.3 167,-0.0 0.847 129.8 -57.9 53.6 38.5 -1.9 -15.1 26.1 33 33 A D T 3 S+ 0 0 131 1,-0.2 -1,-0.3 205,-0.0 201,-0.0 0.480 113.8 120.1 68.2 16.6 -3.7 -11.8 27.1 34 34 A I E < S-F 31 0B 9 -3,-2.2 -3,-2.3 205,-0.0 -1,-0.2 -0.880 70.3-111.2-110.6 126.1 -0.5 -10.5 28.8 35 35 A P E -F 30 0B 27 0, 0.0 205,-2.4 0, 0.0 2,-0.6 -0.353 23.9-146.5 -54.5 125.8 1.1 -7.1 27.5 36 36 A L E -g 240 0C 0 -7,-2.6 -8,-2.1 203,-0.2 -7,-0.4 -0.919 20.0-131.7 -93.4 116.4 4.4 -7.6 25.7 37 37 A L E -F 27 0B 0 203,-2.4 -10,-0.2 -2,-0.6 30,-0.1 -0.208 27.1 -94.7 -70.1 153.2 6.6 -4.6 26.4 38 38 A R - 0 0 87 -12,-0.9 204,-0.3 28,-0.3 3,-0.1 -0.378 19.9-142.3 -66.9 155.0 8.5 -2.8 23.6 39 39 A S S S+ 0 0 46 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.826 81.7 7.9 -88.1 -36.0 12.0 -3.6 22.7 40 40 A S + 0 0 88 27,-0.0 -1,-0.3 2,-0.0 205,-0.0 -0.994 60.9 175.7-149.4 137.5 13.2 -0.1 21.9 41 41 A L - 0 0 7 -2,-0.3 2,-0.1 -3,-0.1 5,-0.1 -0.978 37.7-102.1-137.9 146.2 11.8 3.4 22.3 42 42 A P >> - 0 0 78 0, 0.0 3,-2.3 0, 0.0 4,-1.0 -0.427 40.3-106.9 -58.1 153.4 13.3 6.9 21.6 43 43 A G H 3> S+ 0 0 8 1,-0.3 4,-0.5 2,-0.2 3,-0.5 0.809 119.4 60.8 -52.5 -32.2 14.4 8.8 24.7 44 44 A S H 34 S+ 0 0 112 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 0.634 117.1 30.6 -71.3 -19.3 11.4 11.2 24.3 45 45 A Q H <4 S+ 0 0 116 -3,-2.3 -1,-0.2 1,-0.0 -2,-0.2 0.435 103.4 81.6-111.3 -4.4 9.0 8.2 24.7 46 46 A R H < S+ 0 0 41 -4,-1.0 20,-2.7 -3,-0.5 21,-0.4 0.652 80.0 62.8 -87.6 -22.7 11.0 5.9 27.0 47 47 A Y E < - B 0 65A 34 -4,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.867 53.2-168.7-115.6 140.4 10.5 7.3 30.5 48 48 A A E - B 0 64A 19 16,-2.4 16,-2.6 -2,-0.4 2,-0.5 -0.929 18.0-136.1-118.5 150.0 7.4 7.7 32.7 49 49 A L E - B 0 63A 42 -2,-0.3 -47,-2.1 14,-0.2 2,-0.4 -0.923 12.7-164.8-109.2 129.9 7.2 9.7 35.9 50 50 A I E -aB 2 62A 2 12,-2.4 12,-3.0 -2,-0.5 2,-0.5 -0.962 8.5-152.8-110.6 126.7 5.5 8.4 39.1 51 51 A H E -aB 3 61A 41 -49,-2.9 -47,-2.3 -2,-0.4 2,-0.5 -0.928 13.0-171.8-103.2 124.3 4.7 10.9 41.8 52 52 A L E -aB 4 60A 0 8,-2.8 8,-2.3 -2,-0.5 2,-0.5 -0.974 4.4-170.3-122.4 127.7 4.6 9.5 45.3 53 53 A T E -aB 5 59A 6 -49,-2.3 -47,-3.0 -2,-0.5 -46,-0.3 -0.952 10.3-150.2-120.8 123.6 3.4 11.4 48.4 54 54 A N > - 0 0 0 4,-2.2 3,-1.4 -2,-0.5 -47,-0.5 -0.065 40.0 -85.1 -82.2-175.0 3.8 10.1 52.0 55 55 A Y T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -49,-0.2 78,-0.0 0.813 128.1 53.6 -63.9 -31.7 1.6 10.8 55.1 56 56 A A T 3 S- 0 0 65 2,-0.1 -1,-0.3 77,-0.1 3,-0.1 0.150 119.4-108.3 -88.8 12.2 3.5 14.1 55.8 57 57 A D S < S+ 0 0 102 -3,-1.4 2,-0.5 1,-0.2 -2,-0.1 0.775 70.2 145.7 62.3 31.5 2.8 15.4 52.3 58 58 A E - 0 0 34 18,-0.0 -4,-2.2 2,-0.0 2,-0.4 -0.878 33.2-156.4 -96.4 127.6 6.4 15.0 51.2 59 59 A T E -B 53 0A 49 -2,-0.5 18,-0.4 -6,-0.2 2,-0.3 -0.887 16.5-174.6-115.4 133.5 6.7 14.0 47.5 60 60 A I E -B 52 0A 1 -8,-2.3 -8,-2.8 -2,-0.4 2,-0.5 -0.914 17.5-141.5-114.9 151.7 9.3 12.3 45.4 61 61 A S E -BC 51 75A 22 14,-1.9 14,-2.5 -2,-0.3 2,-0.5 -0.974 15.7-158.7-110.6 127.5 9.2 11.8 41.6 62 62 A V E -BC 50 74A 1 -12,-3.0 -12,-2.4 -2,-0.5 2,-0.5 -0.921 6.3-146.0-111.9 126.7 10.5 8.4 40.3 63 63 A A E -BC 49 73A 0 10,-2.4 9,-2.7 -2,-0.5 10,-1.0 -0.838 19.2-172.9 -91.8 121.3 11.6 7.9 36.7 64 64 A I E -BC 48 71A 0 -16,-2.6 -16,-2.4 -2,-0.5 2,-0.7 -0.944 26.5-127.9-114.5 140.1 10.9 4.5 35.1 65 65 A D E >>> -BC 47 70A 12 5,-2.7 4,-1.7 -2,-0.4 3,-0.8 -0.811 20.1-151.4 -77.5 116.4 12.1 3.1 31.8 66 66 A V T 345S+ 0 0 4 -20,-2.7 -28,-0.3 -2,-0.7 -1,-0.1 0.588 87.4 64.8 -73.4 -7.1 8.8 1.8 30.2 67 67 A T T 345S+ 0 0 6 -21,-0.4 175,-0.4 -30,-0.1 -1,-0.2 0.811 125.2 10.2 -85.6 -24.2 10.5 -1.0 28.2 68 68 A N T <45S- 0 0 25 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.1 0.437 95.2-118.4-135.3 10.7 11.6 -2.9 31.3 69 69 A V T <5 + 0 0 0 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.604 60.3 157.0 51.5 24.1 9.8 -1.2 34.3 70 70 A Y E < -C 65 0A 90 -5,-0.6 -5,-2.7 -6,-0.1 2,-0.4 -0.550 44.9-127.9 -78.2 127.1 13.3 -0.3 35.7 71 71 A I E -C 64 0A 6 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.629 23.4-175.4 -69.7 118.4 13.6 2.6 38.2 72 72 A M E - 0 0 0 -9,-2.7 11,-1.9 -2,-0.4 2,-0.3 0.696 56.4 -64.3 -89.2 -35.2 16.4 4.9 36.8 73 73 A G E -CD 63 82A 1 -10,-1.0 -10,-2.4 9,-0.2 -1,-0.4 -0.951 49.3-110.8 170.8-168.2 16.4 7.3 39.8 74 74 A Y E -CD 62 81A 2 7,-1.8 7,-2.9 -2,-0.3 2,-0.4 -0.910 11.2-131.7-146.8 162.8 14.3 9.8 41.6 75 75 A R E -CD 61 80A 52 -14,-2.5 -14,-1.9 -2,-0.3 2,-0.4 -0.984 13.6-176.9-118.6 135.8 14.0 13.6 42.4 76 76 A A E > - D 0 79A 10 3,-2.6 3,-1.7 -2,-0.4 2,-0.4 -0.952 66.3 -52.5-130.5 105.7 13.4 15.2 45.8 77 77 A G T 3 S- 0 0 53 -2,-0.4 63,-0.0 -18,-0.4 -17,-0.0 -0.464 122.9 -12.9 70.1-115.2 13.0 19.0 45.6 78 78 A D T 3 S+ 0 0 77 -2,-0.4 23,-2.1 21,-0.1 22,-1.3 0.328 121.7 81.9-104.1 5.0 15.9 20.5 43.7 79 79 A T E < -De 76 101A 17 -3,-1.7 -3,-2.6 21,-0.2 2,-0.3 -0.923 58.1-160.1-121.0 131.1 18.1 17.4 43.7 80 80 A S E -De 75 102A 4 21,-2.5 23,-3.0 -2,-0.4 2,-0.4 -0.818 4.7-158.1-102.5 150.5 18.0 14.3 41.4 81 81 A Y E -De 74 103A 22 -7,-2.9 -7,-1.8 -2,-0.3 2,-0.4 -1.000 11.3-176.0-128.9 128.2 19.5 10.9 42.3 82 82 A F E -De 73 104A 3 21,-2.4 23,-3.0 -2,-0.4 -9,-0.2 -0.950 28.7-109.0-126.0 148.5 20.5 8.3 39.6 83 83 A F - 0 0 2 -11,-1.9 2,-1.8 -2,-0.4 25,-0.2 -0.360 37.6-107.4 -67.3 150.5 21.8 4.8 39.8 84 84 A N S S+ 0 0 95 23,-2.7 2,-0.3 21,-0.1 -1,-0.1 -0.625 81.6 102.2 -83.1 77.0 25.4 4.2 38.8 85 85 A E S >> S- 0 0 50 -2,-1.8 4,-1.8 -13,-0.1 3,-0.6 -0.977 81.0-106.6-154.1 164.1 24.7 2.4 35.5 86 86 A A H 3> S+ 0 0 88 -2,-0.3 4,-2.2 1,-0.3 5,-0.2 0.866 115.8 51.1 -61.0 -45.1 24.7 3.1 31.7 87 87 A S H 3> S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.848 110.5 50.5 -64.9 -30.0 20.9 3.1 31.3 88 88 A A H <> S+ 0 0 0 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.851 107.1 52.7 -78.8 -31.9 20.5 5.6 34.2 89 89 A T H < S+ 0 0 80 -4,-1.8 4,-0.3 2,-0.2 -2,-0.2 0.918 111.2 48.3 -69.2 -36.7 23.2 8.0 32.6 90 90 A E H >< S+ 0 0 56 -4,-2.2 3,-1.7 1,-0.2 4,-0.3 0.948 109.0 54.0 -64.0 -43.5 21.1 7.8 29.4 91 91 A A H >X S+ 0 0 0 -4,-2.1 3,-2.2 1,-0.3 4,-2.1 0.859 96.7 65.8 -58.8 -36.6 17.9 8.6 31.4 92 92 A A T 3< S+ 0 0 14 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.619 91.2 64.3 -71.4 -8.6 19.5 11.7 32.9 93 93 A K T <4 S+ 0 0 113 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.654 115.8 27.9 -80.9 -15.8 19.6 13.3 29.4 94 94 A Y T <4 S+ 0 0 109 -3,-2.2 2,-0.3 -4,-0.3 3,-0.2 0.675 113.3 55.3-119.9 -33.3 15.7 13.2 29.4 95 95 A V S < S+ 0 0 15 -4,-2.1 -1,-0.1 1,-0.2 -32,-0.0 -0.807 106.3 7.7-109.8 157.4 14.3 13.4 32.9 96 96 A F S > S+ 0 0 19 -2,-0.3 3,-1.8 1,-0.1 -1,-0.2 0.743 72.5 155.6 50.4 37.8 14.7 15.9 35.9 97 97 A K T 3 + 0 0 142 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.802 66.5 53.6 -70.0 -24.8 16.7 18.2 33.6 98 98 A D T 3 S+ 0 0 123 2,-0.0 -1,-0.3 3,-0.0 2,-0.2 0.308 77.5 121.0 -97.8 10.4 15.9 21.3 35.7 99 99 A A < - 0 0 20 -3,-1.8 -20,-0.2 1,-0.1 -21,-0.1 -0.506 59.3-144.0 -67.7 136.0 17.1 19.8 39.0 100 100 A M S S+ 0 0 163 -22,-1.3 2,-0.4 -2,-0.2 -21,-0.2 0.790 82.3 35.3 -76.2 -37.5 19.9 22.0 40.4 101 101 A R E -e 79 0A 173 -23,-2.1 -21,-2.5 2,-0.0 2,-0.4 -0.973 65.6-164.1-115.0 140.9 21.9 19.2 41.8 102 102 A K E -e 80 0A 100 -2,-0.4 2,-0.4 -23,-0.2 -21,-0.2 -0.995 8.1-166.2-121.6 124.3 22.4 15.7 40.3 103 103 A V E -e 81 0A 48 -23,-3.0 -21,-2.4 -2,-0.4 2,-0.6 -0.913 11.5-147.7-109.3 130.2 23.8 12.9 42.6 104 104 A T E -e 82 0A 68 -2,-0.4 -21,-0.2 -23,-0.2 -20,-0.1 -0.934 23.4-131.1 -95.2 115.6 25.0 9.6 41.2 105 105 A L - 0 0 1 -23,-3.0 -21,-0.1 -2,-0.6 39,-0.0 -0.404 19.3-115.8 -64.8 149.8 24.4 6.8 43.8 106 106 A P S S+ 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.224 91.4 43.8 -79.9 20.7 27.4 4.5 44.6 107 107 A Y S S- 0 0 14 -22,-0.0 -23,-2.7 10,-0.0 -2,-0.2 -0.981 81.2-107.1-149.9 161.5 25.6 1.5 43.2 108 108 A S - 0 0 26 -2,-0.3 -23,-0.1 -25,-0.2 6,-0.0 -0.302 41.7-104.4 -79.8 173.5 23.6 0.2 40.3 109 109 A G S S+ 0 0 10 -2,-0.1 2,-0.2 4,-0.1 -38,-0.1 0.252 79.3 113.9 -93.5 21.1 19.9 -0.7 40.7 110 110 A N S > S- 0 0 66 1,-0.1 4,-2.2 4,-0.0 3,-0.3 -0.566 72.7-118.1 -93.1 154.3 20.1 -4.4 40.8 111 111 A Y H > S+ 0 0 33 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.813 108.6 57.0 -62.5 -35.9 19.2 -6.5 43.9 112 112 A E H > S+ 0 0 129 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.940 113.8 42.2 -66.6 -37.4 22.6 -8.1 44.6 113 113 A R H > S+ 0 0 142 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.934 116.0 47.8 -70.2 -44.8 24.2 -4.6 44.8 114 114 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 6,-0.2 0.892 111.1 50.6 -66.7 -37.1 21.3 -3.1 46.8 115 115 A Q H X>S+ 0 0 25 -4,-2.8 4,-1.4 2,-0.2 5,-1.1 0.905 111.2 48.6 -69.0 -38.0 21.3 -6.0 49.3 116 116 A T H <5S+ 0 0 114 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.955 114.6 46.1 -63.9 -43.8 25.1 -5.7 49.9 117 117 A A H <5S+ 0 0 52 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.873 117.1 42.9 -70.7 -36.5 24.7 -1.9 50.3 118 118 A A H <5S- 0 0 27 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.686 99.7-135.9 -78.4 -24.6 21.8 -2.2 52.7 119 119 A G T <5S+ 0 0 65 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.790 74.6 94.3 71.3 20.1 23.4 -5.1 54.6 120 120 A K S - 0 0 82 -2,-0.3 3,-1.9 -3,-0.1 4,-0.3 -0.544 33.8-105.9 -86.0 163.1 18.3 -9.4 52.2 122 122 A R G > S+ 0 0 12 1,-0.3 3,-1.6 -2,-0.2 -1,-0.1 0.861 115.3 62.7 -60.2 -38.2 14.9 -8.9 50.7 123 123 A E G 3 S+ 0 0 75 1,-0.3 -1,-0.3 57,-0.1 60,-0.0 0.699 104.9 47.6 -57.2 -25.6 13.2 -11.4 53.0 124 124 A N G < S+ 0 0 87 -3,-1.9 -1,-0.3 56,-0.1 -2,-0.2 0.360 90.9 91.8-104.2 4.5 14.1 -9.4 56.1 125 125 A I S < S- 0 0 6 -3,-1.6 54,-0.1 -4,-0.3 6,-0.0 -0.887 78.3-122.7-105.1 118.4 12.9 -5.9 54.8 126 126 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 54,-0.2 -0.319 27.7-170.5 -61.9 141.2 9.3 -5.0 55.6 127 127 A L B +H 179 0D 0 52,-2.9 52,-2.2 29,-0.0 2,-0.2 -0.772 32.8 97.0-122.0 174.8 6.8 -4.2 52.8 128 128 A G S > S- 0 0 0 -2,-0.3 4,-1.6 50,-0.2 3,-0.5 -0.506 87.5 -67.7 121.5 166.1 3.3 -2.8 53.0 129 129 A L H > S+ 0 0 1 45,-2.8 4,-2.1 42,-0.6 3,-0.2 0.902 131.0 53.0 -65.0 -35.3 1.9 0.7 52.7 130 130 A P H > S+ 0 0 28 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.875 107.0 53.4 -66.9 -30.0 3.5 2.0 55.9 131 131 A A H > S+ 0 0 11 -3,-0.5 4,-2.3 46,-0.2 -2,-0.2 0.847 106.2 52.9 -69.9 -32.5 6.9 0.7 54.7 132 132 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.906 106.8 52.8 -67.3 -40.7 6.4 2.7 51.5 133 133 A D H X S+ 0 0 27 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.950 111.3 46.9 -55.2 -47.7 5.7 5.8 53.6 134 134 A S H X S+ 0 0 67 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.908 109.9 52.7 -61.9 -43.0 9.0 5.2 55.4 135 135 A A H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.908 108.7 50.3 -60.3 -43.3 10.8 4.6 52.2 136 136 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.949 111.8 47.8 -62.9 -42.3 9.6 8.0 50.7 137 137 A T H X S+ 0 0 44 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.958 112.1 49.5 -65.9 -43.9 10.7 9.9 53.9 138 138 A T H <>S+ 0 0 40 -4,-2.5 5,-1.0 1,-0.2 -1,-0.2 0.885 115.9 42.6 -59.8 -41.7 14.2 8.2 53.8 139 139 A L H ><5S+ 0 0 0 -4,-2.2 3,-0.8 -5,-0.2 -2,-0.2 0.884 112.2 53.1 -78.9 -34.2 14.7 9.1 50.1 140 140 A F H 3<5S+ 0 0 61 -4,-2.9 2,-0.8 1,-0.3 -2,-0.2 0.921 117.3 38.0 -64.8 -49.6 13.3 12.7 50.4 141 141 A Y T 3<5S- 0 0 132 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.541 106.7-141.1 -96.6 65.9 15.7 13.4 53.3 142 142 A Y T < 5 - 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