==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RIBOSOME-INACTIVATING PROTEIN 01-JUL-94 1MRJ . COMPND 2 MOLECULE: ALPHA-TRICHOSANTHIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHOSANTHES KIRILOWII; . AUTHOR Q.HUANG,S.LIU,Y.TANG,S.JIN,Y.WANG . 247 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 69.6 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 . 37 15.0 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 2 0 0 0 1 1 1 0 0 0 0 0 0 1 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 0 2 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 . 1 1 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 0 140 0, 0.0 2,-0.4 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 162.3 2.4 10.7 34.7 2 2 A V E -a 50 0A 18 47,-1.7 49,-2.8 2,-0.0 2,-0.4 -0.948 360.0-160.7-125.1 144.3 0.9 8.5 37.4 3 3 A S E -a 51 0A 60 -2,-0.4 2,-0.3 47,-0.2 49,-0.2 -0.958 11.5-173.6-124.8 149.3 0.4 9.5 41.0 4 4 A F E -a 52 0A 10 47,-2.4 49,-2.0 -2,-0.4 2,-0.5 -0.985 7.2-163.0-138.7 131.7 -0.2 7.7 44.3 5 5 A R E -a 53 0A 125 -2,-0.3 49,-0.2 47,-0.2 50,-0.1 -0.980 7.3-161.0-112.6 125.4 -0.9 9.5 47.6 6 6 A L > + 0 0 3 47,-3.0 3,-2.1 -2,-0.5 2,-0.3 0.783 67.7 94.1 -77.7 -27.7 -0.5 7.5 50.8 7 7 A S T 3 S+ 0 0 72 47,-0.4 -2,-0.1 46,-0.3 46,-0.0 -0.517 107.2 2.9 -68.1 121.2 -2.7 9.7 52.9 8 8 A G T 3 S+ 0 0 74 -2,-0.3 -1,-0.3 1,-0.2 5,-0.1 0.530 97.2 159.0 77.8 10.1 -6.1 8.1 52.8 9 9 A A < - 0 0 13 -3,-2.1 2,-0.3 166,-0.1 -1,-0.2 -0.253 15.2-179.5 -66.0 147.4 -4.7 5.2 50.8 10 10 A T > - 0 0 69 1,-0.1 4,-2.2 119,-0.0 5,-0.2 -0.881 46.7 -94.8-133.6 172.8 -6.7 1.9 50.7 11 11 A S H > S+ 0 0 56 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.900 126.5 52.1 -52.2 -45.9 -6.2 -1.5 49.1 12 12 A S H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.906 107.8 48.5 -58.9 -46.1 -8.5 -0.2 46.3 13 13 A S H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.872 110.3 52.0 -72.3 -30.7 -6.5 3.0 45.6 14 14 A Y H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.935 109.6 49.1 -66.2 -43.7 -3.3 1.1 45.5 15 15 A G H X S+ 0 0 14 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.896 110.1 51.7 -61.2 -41.6 -4.7 -1.3 42.9 16 16 A V H X S+ 0 0 84 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.938 110.2 49.8 -56.9 -47.3 -6.0 1.6 40.9 17 17 A F H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.940 110.8 47.6 -59.2 -46.8 -2.5 3.1 41.1 18 18 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.920 111.1 52.9 -66.3 -37.3 -0.8 -0.2 39.9 19 19 A S H X S+ 0 0 45 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.919 109.6 47.2 -56.9 -51.0 -3.4 -0.5 37.1 20 20 A N H X S+ 0 0 70 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.856 109.1 55.5 -61.8 -38.2 -2.6 3.0 35.8 21 21 A L H >< S+ 0 0 3 -4,-2.2 3,-0.6 -5,-0.2 4,-0.5 0.969 109.6 45.5 -61.1 -46.9 1.1 2.3 36.0 22 22 A R H >< S+ 0 0 40 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.931 110.5 54.1 -59.8 -45.0 0.6 -0.8 33.8 23 23 A K H 3< S+ 0 0 172 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.770 98.9 64.8 -61.8 -24.3 -1.6 1.3 31.4 24 24 A A T << S+ 0 0 42 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.673 86.5 86.7 -69.5 -17.2 1.2 3.8 31.2 25 25 A L S < S- 0 0 8 -3,-1.9 2,-0.1 -4,-0.5 42,-0.1 -0.713 78.6-130.1 -94.2 126.9 3.5 1.3 29.5 26 26 A P + 0 0 48 0, 0.0 12,-0.8 0, 0.0 2,-0.3 -0.464 28.9 175.8 -74.5 142.5 3.3 0.9 25.7 27 27 A N E -F 37 0B 64 10,-0.2 10,-0.2 -2,-0.1 3,-0.1 -0.985 24.4-167.7-141.5 142.9 2.8 -2.5 24.1 28 28 A E E S+ 0 0 144 8,-0.7 2,-0.2 -2,-0.3 -1,-0.1 0.871 76.6 27.6 -90.5 -43.9 2.3 -3.6 20.5 29 29 A R E -F 36 0B 122 7,-0.5 7,-2.6 8,-0.1 2,-0.4 -0.688 59.7-148.0-113.1 158.9 1.3 -7.3 21.1 30 30 A K E -F 35 0B 127 5,-0.2 2,-0.5 -2,-0.2 3,-0.1 -0.986 12.5-159.5-113.3 135.7 -0.4 -9.3 23.8 31 31 A L E > S-F 34 0B 22 3,-2.5 3,-2.2 -2,-0.4 169,-0.1 -0.990 83.2 -12.1-110.5 122.6 0.8 -12.9 24.1 32 32 A Y T 3 S- 0 0 91 -2,-0.5 -1,-0.2 1,-0.3 167,-0.0 0.864 131.1 -56.8 56.3 38.0 -1.8 -15.0 25.9 33 33 A D T 3 S+ 0 0 142 1,-0.2 -1,-0.3 -3,-0.1 201,-0.0 0.504 112.6 122.5 71.2 9.7 -3.6 -11.8 26.9 34 34 A I E < -F 31 0B 11 -3,-2.2 -3,-2.5 205,-0.0 -1,-0.2 -0.884 69.9-110.8-105.7 127.3 -0.4 -10.5 28.6 35 35 A P E -F 30 0B 29 0, 0.0 205,-2.6 0, 0.0 2,-0.6 -0.311 25.1-148.8 -48.6 122.1 1.1 -7.1 27.4 36 36 A L E -Fg 29 240B 3 -7,-2.6 -8,-0.7 203,-0.2 -7,-0.5 -0.915 19.8-132.3 -94.6 119.3 4.4 -7.6 25.6 37 37 A L E -F 27 0B 2 203,-2.8 -10,-0.2 -2,-0.6 30,-0.1 -0.275 26.9 -94.7 -71.5 156.2 6.6 -4.6 26.3 38 38 A R - 0 0 79 -12,-0.8 204,-0.3 28,-0.3 3,-0.1 -0.324 19.5-140.4 -69.9 157.6 8.4 -2.8 23.4 39 39 A S S S+ 0 0 44 1,-0.3 2,-0.3 202,-0.1 -1,-0.1 0.846 81.2 6.6 -86.4 -43.0 12.0 -3.6 22.5 40 40 A S + 0 0 94 2,-0.0 -1,-0.3 27,-0.0 205,-0.0 -0.993 59.5 177.1-147.5 135.9 13.3 -0.0 21.8 41 41 A L - 0 0 7 -2,-0.3 5,-0.1 -3,-0.1 26,-0.1 -0.988 36.1-105.6-135.4 146.3 11.8 3.5 22.1 42 42 A P >> - 0 0 72 0, 0.0 3,-2.5 0, 0.0 4,-1.1 -0.358 42.8-101.1 -65.2 159.6 13.4 6.9 21.5 43 43 A G H >> S+ 0 0 7 1,-0.3 3,-0.7 2,-0.2 4,-0.6 0.823 120.3 57.8 -50.2 -38.8 14.3 8.9 24.5 44 44 A S H 34 S+ 0 0 110 1,-0.3 -1,-0.3 2,-0.2 0, 0.0 0.459 117.7 33.6 -73.9 -7.4 11.3 11.2 24.3 45 45 A Q H <4 S+ 0 0 117 -3,-2.5 -1,-0.3 3,-0.0 -2,-0.2 0.494 102.0 80.0-117.2 -9.6 9.0 8.1 24.6 46 46 A R H << S+ 0 0 44 -4,-1.1 20,-3.0 -3,-0.7 21,-0.4 0.677 82.6 59.4 -84.7 -21.9 11.1 5.9 26.8 47 47 A Y E < - B 0 65A 35 -4,-0.6 2,-0.3 18,-0.2 18,-0.2 -0.865 52.3-168.3-122.3 143.9 10.5 7.2 30.3 48 48 A A E - B 0 64A 20 16,-2.2 16,-2.7 -2,-0.3 2,-0.4 -0.932 16.2-139.8-125.2 145.7 7.4 7.7 32.6 49 49 A L E - B 0 63A 46 -2,-0.3 -47,-1.7 14,-0.2 2,-0.4 -0.889 12.7-168.2-104.5 134.1 7.3 9.7 35.8 50 50 A I E -aB 2 62A 2 12,-2.2 12,-3.0 -2,-0.4 2,-0.5 -0.980 10.4-149.7-119.8 133.2 5.4 8.5 38.8 51 51 A H E -aB 3 61A 38 -49,-2.8 -47,-2.4 -2,-0.4 2,-0.4 -0.940 12.4-170.7-103.2 127.7 4.8 10.9 41.7 52 52 A L E -aB 4 60A 1 8,-2.8 8,-2.3 -2,-0.5 2,-0.4 -0.967 2.0-168.2-123.2 128.1 4.5 9.4 45.2 53 53 A T E -aB 5 59A 1 -49,-2.0 -47,-3.0 -2,-0.4 -46,-0.3 -0.989 11.0-147.5-121.2 127.1 3.4 11.4 48.2 54 54 A N > - 0 0 0 4,-2.3 3,-1.9 -2,-0.4 -47,-0.4 -0.097 38.6 -85.0 -84.2-176.0 3.7 10.1 51.8 55 55 A Y T 3 S+ 0 0 96 1,-0.3 -1,-0.1 -49,-0.2 78,-0.0 0.819 129.5 53.5 -61.8 -31.7 1.6 10.7 54.9 56 56 A A T 3 S- 0 0 64 2,-0.1 -1,-0.3 77,-0.1 3,-0.1 0.239 119.1-111.3 -87.6 13.9 3.4 13.9 55.6 57 57 A D < + 0 0 101 -3,-1.9 2,-0.5 1,-0.2 -2,-0.1 0.817 68.3 146.8 57.0 35.0 2.7 15.2 52.1 58 58 A E - 0 0 37 18,-0.0 -4,-2.3 2,-0.0 2,-0.4 -0.876 33.8-153.5 -95.4 131.2 6.3 15.0 51.1 59 59 A T E -B 53 0A 53 -2,-0.5 18,-0.4 -6,-0.2 2,-0.3 -0.920 18.5-177.0-114.5 136.8 6.6 14.0 47.4 60 60 A I E -B 52 0A 1 -8,-2.3 -8,-2.8 -2,-0.4 2,-0.4 -0.893 17.6-143.6-120.4 151.1 9.2 12.3 45.2 61 61 A S E -BC 51 75A 24 14,-1.9 14,-2.9 -2,-0.3 2,-0.4 -0.985 15.2-157.6-112.4 131.2 9.1 11.7 41.5 62 62 A V E -BC 50 74A 1 -12,-3.0 -12,-2.2 -2,-0.4 2,-0.6 -0.915 6.7-143.4-116.3 131.1 10.5 8.4 40.1 63 63 A A E -BC 49 73A 0 10,-2.5 9,-3.2 -2,-0.4 10,-1.0 -0.835 20.2-173.7 -94.4 126.1 11.6 7.9 36.6 64 64 A I E -BC 48 71A 2 -16,-2.7 -16,-2.2 -2,-0.6 2,-0.7 -0.883 27.4-125.8-118.4 142.4 10.9 4.5 35.0 65 65 A D E >>> -BC 47 70A 11 5,-2.4 4,-2.1 -2,-0.4 3,-1.0 -0.831 20.0-150.3 -77.1 117.2 12.0 3.0 31.7 66 66 A V T 345S+ 0 0 5 -20,-3.0 -28,-0.3 -2,-0.7 -19,-0.1 0.625 89.2 62.7 -71.2 -8.6 8.8 1.9 30.1 67 67 A T T 345S+ 0 0 8 -21,-0.4 175,-0.5 -30,-0.1 -1,-0.2 0.735 126.0 9.3 -85.2 -23.2 10.4 -1.0 28.1 68 68 A N T <45S- 0 0 37 -3,-1.0 -2,-0.2 2,-0.1 3,-0.1 0.390 93.8-120.4-135.5 2.8 11.5 -2.9 31.2 69 69 A V T <5 + 0 0 0 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.641 58.9 156.0 61.3 23.3 9.8 -1.1 34.1 70 70 A Y E < -C 65 0A 54 -5,-0.5 -5,-2.4 1,-0.1 2,-0.5 -0.548 46.6-123.4 -81.3 136.3 13.2 -0.4 35.7 71 71 A I E -C 64 0A 4 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.672 26.8-176.4 -76.9 122.7 13.5 2.5 38.1 72 72 A M E - 0 0 0 -9,-3.2 11,-1.9 -2,-0.5 2,-0.3 0.737 55.6 -58.4 -89.4 -37.0 16.2 4.8 36.7 73 73 A G E -CD 63 82A 2 -10,-1.0 -10,-2.5 9,-0.2 -1,-0.4 -0.964 49.8-119.5 173.4-174.2 16.3 7.4 39.5 74 74 A Y E -CD 62 81A 2 7,-2.1 7,-3.1 -2,-0.3 2,-0.4 -0.952 10.0-131.4-148.4 167.5 14.2 9.8 41.4 75 75 A R E -CD 61 80A 51 -14,-2.9 -14,-1.9 -2,-0.3 2,-0.4 -0.977 12.4-176.3-125.8 140.3 13.8 13.5 42.3 76 76 A A E > - D 0 79A 9 3,-2.6 3,-1.7 -2,-0.4 2,-0.3 -0.951 67.4 -53.5-134.0 103.6 13.3 15.1 45.6 77 77 A G T 3 S- 0 0 49 -2,-0.4 -16,-0.0 -18,-0.4 63,-0.0 -0.432 122.3 -13.1 67.3-116.6 12.8 18.9 45.4 78 78 A D T 3 S+ 0 0 80 -2,-0.3 23,-2.3 21,-0.1 22,-1.4 0.331 121.4 82.1-104.9 9.1 15.8 20.4 43.4 79 79 A T E < -De 76 101A 4 -3,-1.7 -3,-2.6 21,-0.2 2,-0.3 -0.934 58.9-160.1-120.3 133.1 18.0 17.3 43.6 80 80 A S E -De 75 102A 4 21,-2.8 23,-3.0 -2,-0.4 2,-0.4 -0.839 4.1-156.7-104.8 153.6 17.9 14.3 41.3 81 81 A Y E -De 74 103A 12 -7,-3.1 -7,-2.1 -2,-0.3 2,-0.4 -0.997 11.0-176.2-130.6 130.0 19.4 10.9 42.1 82 82 A F E -De 73 104A 5 21,-2.1 23,-3.5 -2,-0.4 -9,-0.2 -0.972 29.0-110.4-126.2 144.9 20.3 8.3 39.5 83 83 A F - 0 0 2 -11,-1.9 2,-1.7 -2,-0.4 25,-0.3 -0.299 38.1-107.9 -62.8 151.7 21.7 4.8 39.7 84 84 A N S S+ 0 0 94 23,-2.6 2,-0.3 20,-0.1 -1,-0.1 -0.607 81.3 102.6 -87.4 76.2 25.3 4.3 38.7 85 85 A E S > S- 0 0 43 -2,-1.7 4,-1.8 -13,-0.1 3,-0.4 -0.984 80.2-106.8-154.6 164.2 24.6 2.5 35.5 86 86 A A H > S+ 0 0 79 -2,-0.3 4,-1.9 1,-0.3 5,-0.2 0.876 116.0 50.3 -66.1 -40.9 24.7 3.1 31.8 87 87 A S H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.864 109.6 53.4 -66.5 -33.3 20.9 3.1 31.2 88 88 A A H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.871 106.1 51.7 -67.2 -36.9 20.5 5.6 34.1 89 89 A T H < S+ 0 0 76 -4,-1.8 4,-0.3 2,-0.2 -2,-0.2 0.892 110.0 49.7 -70.2 -32.8 23.0 8.0 32.6 90 90 A E H >< S+ 0 0 53 -4,-1.9 3,-2.2 1,-0.2 4,-0.4 0.964 108.3 53.4 -62.0 -48.8 21.0 7.9 29.4 91 91 A A H >X S+ 0 0 0 -4,-2.5 3,-2.7 1,-0.3 4,-2.1 0.892 97.5 66.3 -52.0 -40.1 17.8 8.5 31.4 92 92 A A T 3< S+ 0 0 18 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.637 91.6 63.3 -61.3 -17.0 19.5 11.6 32.9 93 93 A K T <4 S+ 0 0 126 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.662 115.6 28.2 -76.5 -17.4 19.5 13.2 29.4 94 94 A Y T <4 S+ 0 0 91 -3,-2.7 3,-0.3 -4,-0.4 2,-0.3 0.778 111.6 56.7-118.1 -36.0 15.7 13.2 29.3 95 95 A V S < S+ 0 0 12 -4,-2.1 -1,-0.1 1,-0.2 -32,-0.0 -0.741 104.9 8.8-110.2 152.3 14.2 13.4 32.8 96 96 A F S > S+ 0 0 24 -2,-0.3 3,-1.7 1,-0.1 -1,-0.2 0.783 71.3 157.0 59.0 38.6 14.6 15.9 35.7 97 97 A K T 3 + 0 0 151 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.737 65.7 55.2 -70.5 -24.4 16.5 18.3 33.5 98 98 A D T 3 S+ 0 0 113 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.423 77.3 121.6 -89.1 -3.6 15.6 21.3 35.6 99 99 A A < - 0 0 19 -3,-1.7 -20,-0.2 1,-0.1 -21,-0.1 -0.398 54.6-151.5 -57.9 138.5 17.0 19.8 38.8 100 100 A M S S+ 0 0 168 -22,-1.4 2,-0.5 1,-0.2 -21,-0.2 0.859 81.2 40.9 -81.7 -40.0 19.8 22.0 40.2 101 101 A R E -e 79 0A 126 -23,-2.3 -21,-2.8 2,-0.0 2,-0.5 -0.964 65.5-173.2-106.1 131.9 21.7 19.2 41.9 102 102 A K E -e 80 0A 120 -2,-0.5 2,-0.4 -23,-0.2 -21,-0.2 -0.976 5.4-171.9-120.3 122.7 22.2 15.8 40.3 103 103 A V E -e 81 0A 29 -23,-3.0 -21,-2.1 -2,-0.5 2,-0.5 -0.872 15.9-143.5-110.9 136.7 23.8 13.0 42.4 104 104 A T E -e 82 0A 76 -2,-0.4 -21,-0.2 -23,-0.2 -20,-0.1 -0.901 25.2-127.3 -94.5 123.4 24.9 9.6 41.1 105 105 A L - 0 0 2 -23,-3.5 -21,-0.0 -2,-0.5 -24,-0.0 -0.474 18.5-116.8 -70.6 154.2 24.3 6.9 43.6 106 106 A P S S+ 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.258 92.0 43.5 -79.2 13.3 27.2 4.6 44.4 107 107 A Y S S- 0 0 13 -22,-0.0 -23,-2.6 10,-0.0 -2,-0.2 -0.968 81.3-110.6-151.8 155.9 25.5 1.5 43.0 108 108 A S - 0 0 26 -2,-0.3 -23,-0.1 -25,-0.3 6,-0.0 -0.304 43.5-100.9 -74.1 177.1 23.5 0.3 40.1 109 109 A G S S+ 0 0 5 -2,-0.1 2,-0.2 -38,-0.1 -38,-0.1 0.153 80.0 117.1 -92.0 17.9 19.8 -0.6 40.6 110 110 A N S > S- 0 0 64 1,-0.1 4,-2.2 4,-0.0 3,-0.2 -0.631 70.6-120.8 -92.5 152.0 20.2 -4.4 40.7 111 111 A Y H > S+ 0 0 34 -2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.752 108.2 57.0 -59.9 -36.5 19.2 -6.4 43.8 112 112 A E H > S+ 0 0 131 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.963 113.0 42.1 -66.9 -38.5 22.6 -8.0 44.5 113 113 A R H > S+ 0 0 132 -3,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.909 117.2 47.3 -63.7 -49.0 24.2 -4.5 44.6 114 114 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 6,-0.2 0.878 111.4 49.3 -64.4 -42.2 21.3 -3.1 46.7 115 115 A Q H X>S+ 0 0 22 -4,-2.7 4,-2.0 2,-0.2 5,-1.3 0.906 112.8 48.5 -65.8 -42.2 21.2 -5.9 49.2 116 116 A T H <5S+ 0 0 118 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.924 114.5 45.9 -57.0 -50.0 24.9 -5.7 49.7 117 117 A A H <5S+ 0 0 51 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.902 117.3 43.3 -60.6 -43.1 24.6 -1.9 50.1 118 118 A A H <5S- 0 0 24 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.762 99.0-138.0 -75.6 -26.5 21.7 -2.3 52.5 119 119 A G T <5S+ 0 0 66 -4,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.784 73.5 95.0 70.4 28.2 23.3 -5.2 54.4 120 120 A K S - 0 0 85 -2,-0.3 3,-1.7 -3,-0.1 4,-0.2 -0.574 33.4-106.4 -86.0 161.8 18.3 -9.5 52.0 122 122 A R G > S+ 0 0 13 1,-0.3 3,-1.8 -2,-0.2 -1,-0.1 0.849 115.9 61.6 -57.7 -41.9 14.9 -8.9 50.5 123 123 A E G 3 S+ 0 0 70 1,-0.3 -1,-0.3 57,-0.1 60,-0.0 0.647 104.1 51.6 -58.9 -17.5 13.1 -11.4 52.8 124 124 A N G < S+ 0 0 82 -3,-1.7 -1,-0.3 56,-0.1 -2,-0.2 0.357 89.5 90.8-104.7 9.5 14.1 -9.4 55.8 125 125 A I S < S- 0 0 6 -3,-1.8 54,-0.1 -4,-0.2 -5,-0.0 -0.894 78.6-121.3-111.6 120.4 12.8 -6.0 54.6 126 126 A P - 0 0 51 0, 0.0 2,-0.2 0, 0.0 54,-0.2 -0.288 28.6-170.4 -64.1 134.6 9.2 -5.1 55.5 127 127 A L B +H 179 0C 0 52,-3.3 52,-2.1 29,-0.0 2,-0.2 -0.683 33.2 94.3-112.2 179.8 6.7 -4.3 52.7 128 128 A G S > S- 0 0 0 -2,-0.2 4,-1.6 50,-0.2 3,-0.4 -0.468 87.1 -68.6 116.3 163.1 3.2 -2.9 52.8 129 129 A L H > S+ 0 0 1 45,-2.8 4,-2.3 42,-0.5 3,-0.3 0.920 131.3 52.7 -63.3 -38.2 1.9 0.7 52.5 130 130 A P H > S+ 0 0 32 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.858 107.4 54.8 -63.5 -29.4 3.4 2.0 55.7 131 131 A A H > S+ 0 0 12 -3,-0.4 4,-2.2 46,-0.3 -2,-0.2 0.863 105.9 51.4 -67.3 -37.3 6.7 0.6 54.5 132 132 A L H X S+ 0 0 0 -4,-1.6 4,-2.6 -3,-0.3 5,-0.2 0.929 107.2 53.0 -67.8 -40.5 6.3 2.7 51.3 133 133 A D H X S+ 0 0 28 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.934 110.6 47.6 -53.9 -51.0 5.6 5.8 53.3 134 134 A S H X S+ 0 0 68 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.885 110.3 52.0 -59.5 -43.8 8.8 5.2 55.3 135 135 A A H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.916 108.8 50.6 -60.2 -45.1 10.8 4.6 52.1 136 136 A I H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.923 110.9 49.1 -60.3 -41.1 9.5 7.9 50.6 137 137 A T H X S+ 0 0 45 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.952 111.6 49.3 -62.7 -43.8 10.6 9.8 53.8 138 138 A T H <>S+ 0 0 36 -4,-2.5 5,-0.8 1,-0.2 -1,-0.2 0.850 115.8 42.0 -65.0 -40.3 14.0 8.2 53.7 139 139 A L H ><5S+ 0 0 1 -4,-2.5 3,-0.8 3,-0.2 -1,-0.2 0.842 111.4 55.0 -74.8 -39.3 14.6 9.1 50.0 140 140 A F H 3<5S+ 0 0 61 -4,-2.7 2,-0.8 1,-0.3 -2,-0.2 0.930 117.1 37.2 -55.9 -52.4 13.1 12.6 50.3 141 141 A Y T 3<5S- 0 0 131 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.601 105.4-144.3 -96.4 66.9 15.5 13.3 53.2 142 142 A Y T < 5 + 0 0 66 -3,-0.8 2,-0.5 -2,-0.8 -3,-0.2 -0.020 26.1 177.4 -43.4 114.9 18.3 11.4 51.5 143 143 A N >>< - 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