==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-DEC-02 1J1Q . COMPND 2 MOLECULE: ANTIVIRAL PROTEIN S; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYTOLACCA AMERICANA; . AUTHOR K.WATANABE,E.SATO,E.HONJO,H.MOTOSHIMA,H.KUROKAWA,B.MIKAMI, . 261 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12131.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 13.4 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 . 3 1.1 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 . 20 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 1 0 0 2 1 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 PARALLEL BRIDGES PER LADDER . 2 1 0 1 1 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 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 I 0 0 99 0, 0.0 50,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 140.9 17.8 31.7 -0.7 2 2 A N - 0 0 95 1,-0.1 2,-0.4 48,-0.1 49,-0.4 0.372 360.0-111.5 -26.1 136.6 15.6 32.8 2.1 3 3 A T - 0 0 65 47,-0.1 2,-0.6 49,-0.1 49,-0.2 -0.683 35.2-134.2 -74.4 127.0 16.5 34.0 5.5 4 4 A I E -a 52 0A 12 47,-2.6 49,-2.2 -2,-0.4 2,-0.4 -0.813 22.9-159.8 -92.7 122.3 15.4 31.4 8.0 5 5 A T E -a 53 0A 75 -2,-0.6 2,-0.4 47,-0.2 49,-0.2 -0.813 13.1-175.9-104.6 141.4 13.5 32.9 11.0 6 6 A F E -a 54 0A 6 47,-2.5 49,-2.4 -2,-0.4 2,-0.9 -0.991 15.3-150.0-133.7 127.6 12.8 31.4 14.4 7 7 A D E +a 55 0A 52 -2,-0.4 3,-0.3 47,-0.2 49,-0.1 -0.806 18.3 173.7 -98.3 101.5 10.8 33.1 17.0 8 8 A A S > S+ 0 0 4 47,-1.8 3,-0.5 -2,-0.9 137,-0.2 0.582 76.2 69.2 -80.6 -12.1 12.0 32.2 20.4 9 9 A G T 3 S+ 0 0 30 46,-0.8 -1,-0.2 47,-0.3 2,-0.2 0.847 115.1 20.7 -75.5 -35.6 9.6 34.6 21.9 10 10 A N T 3 S+ 0 0 130 -3,-0.3 -1,-0.2 45,-0.2 2,-0.2 -0.602 94.7 160.4-131.0 67.1 6.5 32.6 21.0 11 11 A A < - 0 0 24 -3,-0.5 2,-0.3 -2,-0.2 -3,-0.1 -0.562 21.7-178.3 -99.1 154.1 7.9 29.1 20.5 12 12 A T > - 0 0 71 -2,-0.2 4,-2.2 1,-0.1 3,-0.3 -0.939 42.0-108.2-134.3 160.0 6.5 25.7 20.5 13 13 A I H > S+ 0 0 74 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.893 121.1 51.6 -50.0 -45.7 8.2 22.2 20.1 14 14 A N H > S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.839 107.1 51.0 -63.7 -38.0 6.7 21.9 16.6 15 15 A K H > S+ 0 0 111 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.893 111.8 47.7 -67.7 -42.2 7.9 25.4 15.5 16 16 A Y H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.890 111.2 51.2 -61.7 -41.8 11.5 24.5 16.7 17 17 A A H X S+ 0 0 24 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.892 109.9 50.0 -64.6 -36.1 11.3 21.2 14.9 18 18 A T H X S+ 0 0 53 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.894 109.2 52.4 -65.4 -40.0 10.2 23.0 11.7 19 19 A F H X S+ 0 0 6 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.916 109.3 48.8 -62.9 -45.2 13.1 25.4 12.0 20 20 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.940 112.5 48.2 -60.4 -45.5 15.6 22.5 12.3 21 21 A E H X S+ 0 0 115 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.914 112.6 48.5 -60.6 -44.6 14.1 20.8 9.2 22 22 A S H X S+ 0 0 49 -4,-2.6 4,-1.8 2,-0.2 5,-0.2 0.927 113.2 47.3 -63.3 -42.9 14.2 24.1 7.2 23 23 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.939 112.1 49.1 -68.7 -40.9 17.8 24.8 8.2 24 24 A R H X S+ 0 0 25 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.891 111.9 49.3 -65.2 -38.8 18.9 21.2 7.4 25 25 A N H < S+ 0 0 76 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.821 113.8 44.6 -74.1 -27.9 17.3 21.3 4.0 26 26 A E H < S+ 0 0 50 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.852 117.2 45.6 -78.8 -36.6 18.7 24.7 3.0 27 27 A A H < S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.878 94.2 92.4 -74.3 -37.6 22.2 23.8 4.2 28 28 A K S < S- 0 0 60 -4,-2.3 12,-0.3 -5,-0.2 5,-0.1 -0.133 81.7-116.3 -65.6 147.1 22.5 20.3 2.7 29 29 A D - 0 0 32 10,-3.1 10,-0.4 1,-0.1 -1,-0.1 -0.723 28.0-138.5 -70.4 129.8 24.0 19.6 -0.6 30 30 A P S S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.778 97.8 40.4 -68.0 -22.7 20.9 18.1 -2.5 31 31 A S S S+ 0 0 102 8,-0.1 2,-0.1 7,-0.0 -3,-0.0 0.887 97.8 86.1 -89.6 -43.7 23.0 15.4 -4.1 32 32 A L + 0 0 61 7,-0.2 7,-1.9 6,-0.0 2,-0.3 -0.353 47.0 133.6 -72.8 136.7 25.3 14.3 -1.3 33 33 A K E -F 38 0B 92 5,-0.3 2,-0.4 -2,-0.1 225,-0.2 -0.938 30.8-159.2-173.7 144.6 24.3 11.7 1.3 34 34 A a E > S-F 37 0B 0 3,-1.8 3,-2.1 -2,-0.3 226,-0.3 -0.996 83.9 -5.7-136.9 132.5 25.7 8.5 3.0 35 35 A Y T 3 S- 0 0 18 224,-2.4 226,-0.3 -2,-0.4 225,-0.1 0.813 129.5 -60.5 48.9 35.8 23.5 5.9 4.7 36 36 A G T 3 S+ 0 0 36 224,-2.3 -1,-0.3 1,-0.2 225,-0.1 0.601 108.8 123.8 75.1 14.1 20.6 8.2 4.0 37 37 A I E < -F 34 0B 5 -3,-2.1 -3,-1.8 223,-0.1 -1,-0.2 -0.942 65.0-117.2-109.4 124.1 22.0 11.1 6.1 38 38 A P E -F 33 0B 31 0, 0.0 213,-2.6 0, 0.0 2,-0.4 -0.225 26.9-144.7 -61.7 145.1 22.3 14.4 4.1 39 39 A M B -g 251 0C 3 -7,-1.9 -10,-3.1 -10,-0.4 -7,-0.2 -0.870 13.4-116.4-114.6 145.6 25.8 15.8 3.7 40 40 A L - 0 0 0 211,-2.4 214,-0.2 -2,-0.4 -12,-0.2 -0.483 36.8-109.5 -71.9 147.1 26.9 19.5 3.6 41 41 A P - 0 0 1 0, 0.0 212,-0.3 0, 0.0 -1,-0.1 -0.245 34.9-108.0 -70.2 162.0 28.5 20.8 0.3 42 42 A N > - 0 0 42 210,-0.1 3,-1.0 1,-0.1 28,-0.1 -0.331 46.6 -78.1 -84.3-174.4 32.1 21.5 0.1 43 43 A T T 3 S+ 0 0 96 1,-0.3 26,-0.1 -2,-0.1 -1,-0.1 0.555 119.6 65.1 -58.3 -13.4 33.6 25.1 -0.1 44 44 A N T 3 S+ 0 0 123 25,-0.0 -1,-0.3 3,-0.0 2,-0.1 0.053 72.2 134.3-105.8 36.6 32.9 25.7 -3.8 45 45 A S < - 0 0 17 -3,-1.0 3,-0.1 2,-0.1 24,-0.1 -0.337 67.4-108.5 -80.4 161.5 29.1 25.6 -3.8 46 46 A T S S+ 0 0 137 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.856 111.3 30.0 -49.3 -48.4 26.7 28.1 -5.5 47 47 A I - 0 0 61 1,-0.1 -1,-0.2 21,-0.0 -2,-0.1 -0.985 67.6-177.3-118.8 118.6 25.5 29.7 -2.2 48 48 A K + 0 0 92 -2,-0.5 20,-2.8 20,-0.1 21,-0.5 0.568 60.5 51.5 -95.9 -10.8 28.2 29.7 0.4 49 49 A Y E - B 0 67A 41 18,-0.3 2,-0.3 19,-0.1 18,-0.2 -0.918 54.8-159.8-133.3 158.4 26.2 31.3 3.3 50 50 A L E - B 0 66A 5 16,-2.0 16,-2.8 -2,-0.3 2,-0.4 -0.949 13.1-147.7-127.5 144.5 22.9 31.1 5.2 51 51 A L E - B 0 65A 32 -49,-0.4 -47,-2.6 -2,-0.3 2,-0.5 -0.974 11.4-169.9-117.1 136.1 21.2 33.8 7.3 52 52 A V E -aB 4 64A 0 12,-2.2 12,-3.1 -2,-0.4 2,-0.5 -0.983 7.4-155.9-128.6 115.7 19.2 32.9 10.4 53 53 A K E -aB 5 63A 73 -49,-2.2 -47,-2.5 -2,-0.5 2,-0.4 -0.842 7.9-164.6-100.4 123.6 17.1 35.5 12.1 54 54 A L E -aB 6 62A 0 8,-2.9 8,-1.8 -2,-0.5 2,-0.4 -0.897 1.5-160.7-105.8 136.3 16.2 35.1 15.7 55 55 A Q E -aB 7 61A 55 -49,-2.4 -47,-1.8 -2,-0.4 -46,-0.8 -0.943 4.9-150.7-123.0 136.7 13.5 37.0 17.5 56 56 A G > - 0 0 0 4,-2.8 3,-1.4 -2,-0.4 -47,-0.3 -0.368 35.1-101.9 -92.9 175.9 13.1 37.5 21.2 57 57 A A T 3 S+ 0 0 62 1,-0.3 89,-0.1 -49,-0.2 -1,-0.1 0.746 122.4 65.6 -69.4 -24.3 10.0 38.0 23.2 58 58 A S T 3 S- 0 0 65 87,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.487 116.0-119.5 -69.2 -6.2 10.9 41.7 23.4 59 59 A L S < S+ 0 0 125 -3,-1.4 2,-0.1 1,-0.3 -2,-0.1 0.304 73.7 130.1 75.2 0.4 10.3 41.6 19.6 60 60 A K - 0 0 66 92,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.506 44.3-148.0 -80.7 151.2 14.0 42.6 19.0 61 61 A T E -B 55 0A 25 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.818 20.1-166.3-122.9 157.6 16.0 40.5 16.6 62 62 A I E -B 54 0A 0 -8,-1.8 -8,-2.9 -2,-0.3 2,-0.6 -0.988 16.4-149.0-133.7 136.3 19.6 39.3 15.8 63 63 A T E -BC 53 77A 21 14,-2.5 14,-2.3 -2,-0.3 2,-0.3 -0.932 9.2-156.6-109.5 125.3 20.6 37.8 12.5 64 64 A L E -BC 52 76A 0 -12,-3.1 -12,-2.2 -2,-0.6 2,-0.5 -0.730 5.2-147.5 -89.6 142.8 23.3 35.2 12.4 65 65 A M E -BC 51 75A 0 10,-2.2 9,-2.7 -2,-0.3 10,-0.9 -0.974 17.9-167.0-116.0 126.7 25.3 34.5 9.3 66 66 A L E -BC 50 73A 0 -16,-2.8 -16,-2.0 -2,-0.5 2,-0.6 -0.849 25.7-123.6-111.1 139.4 26.5 30.9 8.8 67 67 A R E >> -B 49 0A 50 5,-2.4 4,-2.5 -2,-0.3 3,-0.8 -0.785 25.8-144.7 -76.1 124.4 29.1 29.3 6.4 68 68 A R T 34 S+ 0 0 25 -20,-2.8 -19,-0.1 -2,-0.6 -1,-0.1 0.838 91.7 64.6 -62.8 -33.8 26.9 26.7 4.6 69 69 A N T 34 S+ 0 0 28 -21,-0.5 184,-0.5 1,-0.2 -1,-0.2 0.795 128.5 1.6 -65.5 -30.0 29.8 24.2 4.3 70 70 A N T <4 S- 0 0 21 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.452 90.7-119.7-140.9 7.7 30.1 23.7 8.1 71 71 A L < + 0 0 0 -4,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.714 56.9 155.0 58.3 23.4 27.4 25.9 9.7 72 72 A Y - 0 0 122 -5,-0.4 -5,-2.4 102,-0.1 2,-0.4 -0.628 48.4-116.6 -74.3 141.7 29.9 27.9 11.7 73 73 A V E -C 66 0A 13 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.664 29.3-177.0 -77.3 131.4 28.7 31.4 12.7 74 74 A M E - 0 0 0 -9,-2.7 15,-1.6 -2,-0.4 2,-0.3 0.703 62.8 -45.3 -96.7 -27.9 30.9 34.1 11.0 75 75 A G E -CD 65 88A 0 -10,-0.9 -10,-2.2 13,-0.2 -1,-0.4 -0.959 52.8-127.6 177.6-178.2 29.2 37.1 12.6 76 76 A Y E -CD 64 87A 0 11,-2.0 11,-2.9 -2,-0.3 2,-0.3 -0.981 9.6-147.9-147.4 162.6 25.8 38.6 13.5 77 77 A S E -CD 63 86A 9 -14,-2.3 -14,-2.5 -2,-0.3 9,-0.2 -0.938 9.2-174.8-129.9 157.7 23.8 41.9 13.0 78 78 A D E - D 0 85A 2 7,-1.6 7,-2.4 -2,-0.3 2,-0.5 -0.977 37.4-101.7-140.4 153.4 21.2 43.7 15.1 79 79 A P E + D 0 84A 81 0, 0.0 2,-0.4 0, 0.0 74,-0.2 -0.704 50.9 174.2 -71.8 120.8 19.1 46.9 14.4 80 80 A Y E > - D 0 83A 59 3,-3.0 3,-1.0 -2,-0.5 74,-0.1 -0.958 56.6 -24.3-138.5 121.5 20.9 49.6 16.4 81 81 A D T 3 S- 0 0 105 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.824 124.0 -51.6 55.0 41.3 20.2 53.4 16.5 82 82 A N T 3 S+ 0 0 162 1,-0.2 2,-0.3 28,-0.0 -1,-0.3 0.773 122.8 97.7 58.7 34.2 18.5 53.3 13.0 83 83 A K E < S-D 80 0A 72 -3,-1.0 -3,-3.0 26,-0.1 2,-0.8 -0.963 81.5-110.4-141.9 157.0 21.5 51.5 11.5 84 84 A b E -De 79 111A 28 26,-2.2 28,-1.7 -2,-0.3 2,-0.5 -0.827 36.3-157.3 -86.8 110.8 22.4 47.9 10.7 85 85 A R E -De 78 112A 6 -7,-2.4 -7,-1.6 -2,-0.8 2,-0.4 -0.830 6.3-159.3 -93.2 126.7 25.2 47.1 13.2 86 86 A Y E -De 77 113A 25 26,-1.9 28,-2.7 -2,-0.5 2,-0.5 -0.881 7.5-166.2-111.5 137.2 27.5 44.2 12.1 87 87 A H E +D 76 0A 0 -11,-2.9 -11,-2.0 -2,-0.4 2,-0.4 -0.945 12.9 178.0-122.0 111.0 29.6 42.1 14.4 88 88 A I E -D 75 0A 6 -2,-0.5 28,-2.3 -13,-0.2 -13,-0.2 -0.908 32.7-105.2-121.1 142.0 32.3 39.9 12.9 89 89 A F B > -h 116 0D 5 -15,-1.6 3,-1.7 -2,-0.4 30,-0.2 -0.283 32.4-116.7 -60.1 148.4 35.0 37.6 14.5 90 90 A N T 3 S+ 0 0 78 28,-1.8 29,-0.2 26,-0.6 -1,-0.1 0.451 110.9 55.5 -75.9 1.5 38.5 39.0 14.5 91 91 A D T 3 S+ 0 0 92 27,-0.3 2,-0.7 2,-0.0 -1,-0.3 0.420 81.4 96.6-110.7 5.0 39.9 36.1 12.3 92 92 A I < + 0 0 7 -3,-1.7 2,-0.3 -18,-0.1 -4,-0.0 -0.806 57.4 157.0 -91.9 117.8 37.4 36.7 9.4 93 93 A K > + 0 0 135 -2,-0.7 3,-1.0 4,-0.0 4,-0.3 -0.921 34.0 3.8-143.2 164.4 39.3 38.8 6.9 94 94 A G T 3> S+ 0 0 58 -2,-0.3 4,-1.5 1,-0.2 5,-0.2 -0.411 122.5 3.3 67.9-126.7 39.5 39.8 3.2 95 95 A T H 3> S+ 0 0 123 -2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.797 135.3 48.6 -64.7 -34.0 36.8 38.4 0.9 96 96 A E H <> S+ 0 0 65 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.903 107.0 57.3 -71.1 -44.4 34.9 36.6 3.6 97 97 A Y H > S+ 0 0 63 -4,-0.3 4,-3.0 1,-0.2 -2,-0.2 0.881 112.7 38.2 -54.0 -46.2 34.9 39.7 5.8 98 98 A S H X S+ 0 0 50 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.721 111.8 56.7 -90.2 -16.0 33.2 41.9 3.3 99 99 A D H X S+ 0 0 72 -4,-1.1 4,-1.3 -5,-0.2 -1,-0.2 0.894 114.5 42.8 -69.9 -32.9 30.9 39.2 2.0 100 100 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.4 0.971 115.0 48.4 -71.8 -51.4 29.8 39.0 5.7 101 101 A E H X S+ 0 0 22 -4,-3.0 4,-2.1 1,-0.3 -3,-0.2 0.892 117.5 40.3 -52.7 -52.6 29.7 42.7 6.2 102 102 A N H < S+ 0 0 60 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.668 114.3 52.1 -76.3 -22.3 27.7 43.4 3.0 103 103 A T H < S+ 0 0 61 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.902 117.4 37.3 -84.0 -38.4 25.3 40.4 3.3 104 104 A L H < S+ 0 0 15 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.973 134.4 24.4 -68.8 -45.3 24.2 41.2 6.9 105 105 A b S < S- 0 0 0 -4,-2.1 -1,-0.3 -5,-0.4 -2,-0.1 -0.818 86.3-140.0-127.8 89.1 24.2 45.0 6.3 106 106 A P > - 0 0 66 0, 0.0 3,-1.7 0, 0.0 -22,-0.1 -0.134 15.8-125.3 -52.8 136.9 23.7 46.0 2.7 107 107 A S T 3 S+ 0 0 80 1,-0.3 4,-0.1 -5,-0.2 -4,-0.0 0.603 105.4 66.4 -51.6 -27.0 25.8 48.9 1.4 108 108 A S T 3 S+ 0 0 104 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.415 99.4 57.6 -82.3 -2.9 22.8 50.9 0.3 109 109 A N S < S- 0 0 104 -3,-1.7 -26,-0.1 -4,-0.1 -4,-0.0 -0.870 100.3 -82.9-124.8 155.7 21.6 51.3 3.9 110 110 A P + 0 0 84 0, 0.0 -26,-2.2 0, 0.0 2,-0.3 -0.326 56.2 169.3 -63.2 145.7 23.2 52.9 7.0 111 111 A R E -e 84 0A 70 -28,-0.2 2,-0.3 -4,-0.1 -26,-0.2 -0.974 20.8-167.8-154.6 160.5 25.6 50.6 8.9 112 112 A V E -e 85 0A 57 -28,-1.7 -26,-1.9 -2,-0.3 2,-0.3 -0.979 22.7-122.2-154.7 140.2 28.2 50.6 11.6 113 113 A A E +e 86 0A 43 -2,-0.3 -26,-0.2 -28,-0.2 -28,-0.1 -0.639 22.0 176.5 -83.6 138.7 30.7 48.0 12.8 114 114 A K - 0 0 63 -28,-2.7 -2,-0.0 -2,-0.3 -29,-0.0 -0.754 30.1-146.1-131.7 90.8 30.9 46.7 16.3 115 115 A P - 0 0 69 0, 0.0 2,-0.7 0, 0.0 -26,-0.2 -0.050 12.7-128.8 -57.7 150.3 33.7 44.0 16.1 116 116 A I B -h 89 0D 0 -28,-2.3 2,-1.1 2,-0.1 -26,-0.6 -0.944 24.4-149.0 -91.7 113.8 33.8 40.8 18.1 117 117 A N S S+ 0 0 100 -2,-0.7 2,-0.3 -28,-0.1 -28,-0.1 -0.111 70.8 38.1 -89.1 46.7 37.3 41.2 19.5 118 118 A Y S S- 0 0 7 -2,-1.1 -28,-1.8 10,-0.0 -27,-0.3 -0.947 88.9 -88.5-170.8 172.3 38.1 37.5 19.6 119 119 A N - 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0 0 60 -2,-0.3 2,-0.2 -57,-0.2 -57,-0.1 -0.798 40.6-107.5 -90.3 135.5 23.0 22.1 31.1 196 196 A P - 0 0 3 0, 0.0 -59,-0.1 0, 0.0 5,-0.0 -0.466 39.7-133.5 -59.9 124.5 24.3 20.2 28.0 197 197 A N > - 0 0 34 -2,-0.2 4,-1.5 1,-0.1 3,-0.2 -0.143 27.9 -92.3 -73.8-179.2 25.1 16.6 29.2 198 198 A D H > S+ 0 0 62 33,-1.1 4,-2.0 1,-0.2 33,-0.2 0.812 124.9 55.7 -70.4 -23.5 28.4 14.8 28.3 199 199 A K H > S+ 0 0 20 32,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.908 104.1 55.3 -71.6 -39.9 27.0 13.2 25.2 200 200 A V H > S+ 0 0 2 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.946 112.9 41.5 -54.0 -49.7 26.0 16.7 23.8 201 201 A L H X S+ 0 0 20 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.903 114.6 52.3 -69.6 -34.6 29.7 18.0 24.2 202 202 A D H X S+ 0 0 19 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.913 110.1 46.3 -69.5 -43.0 31.2 14.8 22.9 203 203 A L H >< S+ 0 0 0 -4,-2.4 3,-0.8 2,-0.2 4,-0.4 0.944 110.9 53.8 -63.0 -44.0 29.2 14.8 19.8 204 204 A E H >< S+ 0 0 13 -4,-2.1 3,-0.8 1,-0.3 4,-0.2 0.909 112.1 45.0 -57.9 -44.8 30.0 18.5 19.2 205 205 A E H 3< S+ 0 0 118 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.686 117.5 43.3 -72.0 -17.1 33.7 17.7 19.5 206 206 A N T S+ 0 0 18 -3,-0.8 4,-1.7 -4,-0.4 45,-0.4 0.877 82.7 47.2 -59.8 -39.8 31.3 15.7 14.4 208 208 A G H > S+ 0 0 32 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 112.8 48.1 -67.8 -44.9 34.2 15.5 11.9 209 209 A K H > S+ 0 0 136 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.934 112.5 49.1 -58.1 -45.8 35.3 12.0 13.1 210 210 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.825 110.5 51.2 -61.7 -37.0 31.7 10.7 13.0 211 211 A S H X S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.917 111.6 45.3 -73.7 -39.7 31.2 12.1 9.5 212 212 A T H X S+ 0 0 66 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.937 112.6 52.5 -67.4 -43.9 34.4 10.5 8.1 213 213 A A H X S+ 0 0 9 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.926 111.9 44.4 -58.7 -47.0 33.6 7.1 9.8 214 214 A I H < S+ 0 0 1 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.876 112.5 51.6 -63.4 -43.5 30.0 6.9 8.3 215 215 A H H < S+ 0 0 6 -4,-1.8 44,-0.4 1,-0.2 -1,-0.2 0.893 114.6 42.9 -59.6 -45.3 31.2 8.0 4.8 216 216 A N H < S+ 0 0 89 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.475 87.4 121.2 -83.4 -3.0 33.9 5.2 4.9 217 217 A S < - 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K 0 236F 4 8,-3.6 8,-2.6 -2,-0.8 2,-0.3 -0.425 38.6-105.3-114.1-167.7 32.1 8.2 22.2 229 229 A K E - K 0 235F 87 6,-0.3 6,-0.2 -2,-0.2 2,-0.1 -0.965 20.1-129.9-126.9 148.5 30.3 9.0 25.5 230 230 A N > - 0 0 54 4,-3.1 3,-2.5 -2,-0.3 -28,-0.1 -0.373 44.6 -88.7 -83.1 170.5 26.8 8.3 26.8 231 231 A A T 3 S+ 0 0 49 1,-0.3 -33,-1.1 -33,-0.2 -32,-0.3 0.788 130.0 49.8 -48.3 -32.3 24.6 10.9 28.4 232 232 A D T 3 S- 0 0 114 -35,-0.1 -1,-0.3 -34,-0.1 -3,-0.0 0.290 122.4-103.1 -91.9 4.3 26.1 10.1 31.8 233 233 A G S < S+ 0 0 26 -3,-2.5 -2,-0.1 1,-0.3 2,-0.1 0.416 76.3 135.5 92.3 -3.6 29.7 10.4 30.6 234 234 A T - 0 0 69 1,-0.1 -4,-3.1 -5,-0.1 -1,-0.3 -0.446 65.5 -87.2 -76.4 159.1 30.4 6.6 30.4 235 235 A K E -K 229 0F 127 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.3 -0.328 39.6-165.9 -65.9 140.1 32.3 5.2 27.4 236 236 A W E -K 228 0F 42 -8,-2.6 -8,-3.6 -3,-0.1 2,-0.6 -0.990 6.0-155.2-131.0 122.1 30.1 4.2 24.4 237 237 A I E -K 227 0F 65 -2,-0.4 2,-0.5 -10,-0.2 -10,-0.2 -0.875 8.9-160.9 -98.7 120.7 31.7 2.1 21.6 238 238 A V E +K 226 0F 0 -12,-2.7 -12,-2.4 -2,-0.6 -14,-0.1 -0.883 21.7 162.5-105.3 128.9 30.0 2.5 18.2 239 239 A L E + 0 0 94 -2,-0.5 -17,-2.2 1,-0.2 2,-0.3 0.647 59.8 43.6-115.8 -22.2 30.6 -0.2 15.6 240 240 A R E >> S-K 221 0F 120 -19,-0.2 3,-1.6 1,-0.1 4,-0.5 -0.943 73.6-123.0-131.9 150.9 27.8 0.3 13.0 241 241 A V H >> S+ 0 0 4 -21,-2.0 4,-2.7 -2,-0.3 3,-1.5 0.872 109.6 59.8 -55.5 -42.9 26.2 3.2 11.2 242 242 A D H 34 S+ 0 0 88 -22,-0.4 -1,-0.3 1,-0.3 -21,-0.1 0.631 98.0 61.4 -66.9 -15.4 22.7 2.4 12.5 243 243 A E H <4 S+ 0 0 59 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.690 118.3 25.4 -78.8 -25.7 23.9 2.7 16.1 244 244 A I H XX S+ 0 0 0 -3,-1.5 3,-1.8 -4,-0.5 4,-0.6 0.594 99.6 88.2-110.3 -20.2 24.9 6.4 15.6 245 245 A K G >< S+ 0 0 89 -4,-2.7 3,-1.5 1,-0.3 -3,-0.1 0.848 79.3 62.2 -56.4 -37.6 22.6 7.4 12.8 246 246 A P G 34 S+ 0 0 83 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.769 106.3 48.1 -58.6 -23.2 19.6 8.3 15.2 247 247 A D G <4 S+ 0 0 20 -3,-1.8 -66,-1.7 -67,-0.2 2,-0.5 0.578 97.5 86.1 -92.2 -8.6 21.7 11.1 16.7 248 248 A V << + 0 0 4 -3,-1.5 -69,-0.3 -4,-0.6 3,-0.1 -0.836 36.7 165.5-109.5 128.3 23.0 12.6 13.4 249 249 A G S S+ 0 0 3 -71,-2.5 2,-0.3 -2,-0.5 -70,-0.2 0.741 71.7 16.8-103.9 -34.7 21.2 15.2 11.4 250 250 A L - 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