==== 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 1J1R . 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) . 11999.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 69.7 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 . 36 13.8 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 . 18 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 29.5 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 1 2 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 0 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 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 0 106 0, 0.0 50,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 169.4 18.1 31.9 -0.6 2 2 A N - 0 0 95 1,-0.1 2,-0.3 48,-0.1 49,-0.3 -0.269 360.0-111.4 -51.9 142.8 15.6 32.9 2.0 3 3 A T - 0 0 64 47,-0.1 2,-0.6 49,-0.0 49,-0.2 -0.605 34.6-131.8 -68.2 128.5 16.7 34.1 5.5 4 4 A I E -a 52 0A 10 47,-2.7 49,-2.4 -2,-0.3 2,-0.4 -0.822 27.6-160.8 -88.9 121.0 15.6 31.3 7.8 5 5 A T E -a 53 0A 75 -2,-0.6 2,-0.4 47,-0.2 49,-0.2 -0.860 13.8-175.1-105.8 143.2 13.7 32.9 10.8 6 6 A F E -a 54 0A 8 47,-2.5 49,-1.9 -2,-0.4 2,-0.9 -0.992 15.9-147.4-134.6 127.7 13.0 31.4 14.3 7 7 A D E +a 55 0A 50 -2,-0.4 3,-0.2 47,-0.2 49,-0.2 -0.792 17.7 175.7 -96.1 102.5 10.9 33.2 16.9 8 8 A A S > S+ 0 0 4 47,-2.1 3,-0.7 -2,-0.9 48,-0.2 0.745 77.7 64.0 -72.8 -23.8 12.2 32.2 20.3 9 9 A G T 3 S+ 0 0 33 46,-0.9 -1,-0.2 1,-0.3 48,-0.1 0.844 117.2 24.2 -75.4 -33.9 9.7 34.6 21.9 10 10 A N T 3 S+ 0 0 131 -3,-0.2 -1,-0.3 45,-0.2 2,-0.2 -0.511 95.2 153.3-125.0 60.3 6.6 32.7 20.7 11 11 A A < - 0 0 23 -3,-0.7 2,-0.3 -2,-0.1 -3,-0.1 -0.558 22.5-178.8 -93.6 153.7 8.1 29.2 20.3 12 12 A T > - 0 0 65 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.895 42.9-105.4-134.7 169.4 6.7 25.7 20.4 13 13 A I H > S+ 0 0 79 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.933 122.8 50.3 -57.2 -44.8 8.4 22.2 19.9 14 14 A N H > S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.841 108.1 50.5 -68.0 -36.3 6.8 21.9 16.5 15 15 A K H > S+ 0 0 104 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.898 112.8 47.5 -67.4 -39.3 8.0 25.4 15.4 16 16 A Y H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.896 110.7 51.4 -65.7 -41.0 11.6 24.6 16.5 17 17 A A H X S+ 0 0 28 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.858 109.3 50.1 -61.9 -39.1 11.4 21.2 14.7 18 18 A T H X S+ 0 0 58 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.866 109.1 54.2 -63.4 -39.9 10.3 23.0 11.5 19 19 A F H X S+ 0 0 6 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.910 107.0 49.5 -61.7 -45.2 13.2 25.4 11.9 20 20 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.896 111.7 46.3 -63.5 -44.9 15.7 22.6 12.1 21 21 A E H X S+ 0 0 110 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.875 112.3 52.1 -69.9 -31.1 14.4 20.8 9.0 22 22 A S H X S+ 0 0 44 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.920 112.1 46.6 -67.5 -41.3 14.3 24.1 7.0 23 23 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.921 112.2 49.0 -66.9 -43.1 17.9 24.8 8.1 24 24 A R H X S+ 0 0 23 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.907 112.1 49.6 -66.7 -36.8 19.1 21.2 7.2 25 25 A N H < S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.863 113.9 43.0 -73.7 -30.8 17.5 21.4 3.8 26 26 A E H < S+ 0 0 50 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.874 118.2 47.3 -77.6 -35.0 18.9 24.8 2.8 27 27 A A H < S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.855 95.2 87.9 -73.1 -39.9 22.3 23.8 4.2 28 28 A K S < S- 0 0 59 -4,-2.5 12,-0.3 -5,-0.2 5,-0.1 -0.122 83.3-115.0 -64.2 152.0 22.7 20.3 2.6 29 29 A D - 0 0 32 10,-2.7 10,-0.4 3,-0.2 -1,-0.1 -0.770 34.0-130.7 -73.4 129.4 24.1 19.6 -0.9 30 30 A P S S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.848 98.4 30.4 -61.3 -29.6 20.9 18.2 -2.6 31 31 A S S S+ 0 0 91 -3,-0.0 2,-0.3 7,-0.0 -3,-0.0 0.750 95.3 92.7-101.8 -27.7 22.7 15.1 -4.0 32 32 A L + 0 0 59 7,-0.2 7,-1.8 225,-0.0 2,-0.3 -0.534 48.5 139.2 -70.6 133.7 25.4 14.2 -1.5 33 33 A K E -F 38 0B 82 -2,-0.3 2,-0.4 5,-0.3 225,-0.2 -0.955 33.8-156.4-170.6 144.3 24.3 11.7 1.1 34 34 A a E > S-F 37 0B 0 3,-2.0 3,-2.4 -2,-0.3 226,-0.3 -0.993 82.6 -10.4-137.5 128.6 25.8 8.6 2.9 35 35 A Y T 3 S- 0 0 18 224,-2.5 226,-0.3 -2,-0.4 225,-0.2 0.785 128.5 -58.9 50.3 32.6 23.6 6.0 4.4 36 36 A G T 3 S+ 0 0 36 224,-2.4 -1,-0.3 1,-0.2 225,-0.1 0.467 110.2 121.6 83.5 3.8 20.6 8.2 3.9 37 37 A I E < -F 34 0B 5 -3,-2.4 -3,-2.0 223,-0.1 -1,-0.2 -0.900 65.7-119.7 -99.0 122.5 22.1 11.1 6.0 38 38 A P E -F 33 0B 32 0, 0.0 213,-2.4 0, 0.0 2,-0.3 -0.231 25.5-146.0 -65.6 144.9 22.5 14.4 4.0 39 39 A M B -g 251 0C 4 -7,-1.8 -10,-2.7 -10,-0.4 213,-0.2 -0.797 15.9-110.6-110.8 153.2 26.0 15.9 3.6 40 40 A L - 0 0 0 211,-2.0 -12,-0.2 -2,-0.3 214,-0.2 -0.538 37.9-110.8 -78.3 150.8 27.1 19.5 3.5 41 41 A P - 0 0 2 0, 0.0 212,-0.3 0, 0.0 -1,-0.1 -0.254 35.8-109.1 -73.4 165.3 28.4 20.8 0.1 42 42 A N > - 0 0 43 210,-0.1 3,-1.1 1,-0.1 26,-0.0 -0.354 45.7 -76.2 -90.1-168.6 32.1 21.6 -0.2 43 43 A T T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -2,-0.1 26,-0.1 0.517 122.2 63.6 -68.2 -3.8 33.7 25.1 -0.5 44 44 A N T 3 S+ 0 0 115 25,-0.0 -1,-0.3 3,-0.0 -2,-0.1 -0.018 70.8 142.2-106.6 33.7 32.8 25.7 -4.1 45 45 A S < - 0 0 13 -3,-1.1 3,-0.1 1,-0.1 24,-0.1 -0.367 62.1-120.2 -65.1 151.8 29.0 25.6 -3.6 46 46 A T S S+ 0 0 150 1,-0.2 2,-0.5 2,-0.1 -1,-0.1 0.927 109.8 38.0 -57.5 -45.1 26.9 28.1 -5.7 47 47 A I S S+ 0 0 61 1,-0.1 -1,-0.2 21,-0.0 -2,-0.1 -0.932 70.2 178.7-105.6 122.0 25.5 29.6 -2.5 48 48 A K + 0 0 88 -2,-0.5 20,-2.7 20,-0.1 21,-0.5 0.659 58.7 50.2 -98.0 -17.8 28.3 29.8 0.2 49 49 A Y E - B 0 67A 44 18,-0.2 2,-0.3 19,-0.1 18,-0.2 -0.898 56.3-158.7-127.5 156.5 26.4 31.4 3.1 50 50 A L E - B 0 66A 3 16,-2.3 16,-2.7 -2,-0.3 2,-0.4 -0.975 12.6-146.0-127.8 139.7 23.1 31.0 5.0 51 51 A L E - B 0 65A 35 -2,-0.3 -47,-2.7 -49,-0.3 2,-0.5 -0.933 12.0-172.1-108.9 131.6 21.3 33.7 7.1 52 52 A V E -aB 4 64A 0 12,-2.5 12,-3.3 -2,-0.4 2,-0.5 -0.975 5.9-160.9-122.5 118.6 19.4 32.9 10.3 53 53 A K E -aB 5 63A 70 -49,-2.4 -47,-2.5 -2,-0.5 2,-0.4 -0.911 6.1-165.1-105.6 125.8 17.3 35.5 12.0 54 54 A L E -aB 6 62A 0 8,-2.9 8,-2.3 -2,-0.5 2,-0.4 -0.852 1.1-163.6-107.8 140.0 16.3 35.0 15.6 55 55 A Q E -aB 7 61A 49 -49,-1.9 -47,-2.1 -2,-0.4 -46,-0.9 -0.964 4.4-155.2-127.7 139.5 13.6 37.0 17.4 56 56 A G > - 0 0 0 4,-2.2 3,-1.5 -2,-0.4 -47,-0.2 -0.483 37.4 -93.8-105.1 178.0 13.0 37.3 21.1 57 57 A A T 3 S+ 0 0 72 1,-0.3 89,-0.1 -2,-0.2 88,-0.0 0.718 124.4 61.0 -63.4 -27.1 10.0 38.1 23.3 58 58 A S T 3 S- 0 0 66 87,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.558 114.8-121.4 -73.3 -8.3 11.0 41.7 23.4 59 59 A L S < S+ 0 0 124 -3,-1.5 2,-0.1 1,-0.3 -2,-0.1 0.334 71.2 131.8 76.8 0.5 10.5 41.5 19.5 60 60 A K - 0 0 65 92,-0.1 -4,-2.2 -5,-0.1 -1,-0.3 -0.479 44.6-146.8 -74.5 150.6 14.1 42.6 18.9 61 61 A T E -B 55 0A 16 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.855 18.5-164.2-123.9 155.4 16.1 40.5 16.5 62 62 A I E -B 54 0A 0 -8,-2.3 -8,-2.9 -2,-0.3 2,-0.5 -0.989 14.9-150.5-127.7 137.2 19.6 39.2 15.8 63 63 A T E -BC 53 77A 20 14,-2.4 14,-1.9 -2,-0.3 2,-0.3 -0.954 10.2-158.3-112.3 123.7 20.7 37.8 12.4 64 64 A L E -BC 52 76A 0 -12,-3.3 -12,-2.5 -2,-0.5 2,-0.5 -0.774 5.6-145.9 -92.2 143.9 23.5 35.2 12.4 65 65 A M E -BC 51 75A 0 10,-2.4 9,-2.8 -2,-0.3 10,-0.8 -0.959 17.7-171.1-116.7 129.3 25.5 34.4 9.4 66 66 A L E -BC 50 73A 0 -16,-2.7 -16,-2.3 -2,-0.5 2,-0.5 -0.918 26.6-124.4-114.0 137.3 26.7 30.9 8.8 67 67 A R E >> -BC 49 72A 52 5,-2.4 4,-2.1 -2,-0.4 5,-0.5 -0.709 22.3-145.8 -78.2 126.7 29.2 29.4 6.3 68 68 A R T 45S+ 0 0 27 -20,-2.7 -1,-0.1 -2,-0.5 -19,-0.1 0.828 89.9 69.4 -65.0 -29.8 27.1 26.7 4.5 69 69 A N T 45S- 0 0 31 -21,-0.5 184,-0.5 1,-0.2 -1,-0.2 0.866 128.2 -2.9 -58.0 -41.1 30.2 24.4 4.1 70 70 A N T 45S- 0 0 29 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.317 95.2-112.4-141.1 11.3 30.4 23.6 7.8 71 71 A L T <5 + 0 0 0 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.680 56.7 163.2 60.1 28.0 27.7 25.7 9.5 72 72 A Y E < -C 67 0A 101 -5,-0.5 -5,-2.4 1,-0.1 2,-0.5 -0.598 41.4-124.8 -78.0 133.9 30.1 28.0 11.3 73 73 A V E +C 66 0A 12 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.693 28.6 179.8 -75.8 121.2 28.8 31.3 12.7 74 74 A M E - 0 0 0 -9,-2.8 15,-1.6 -2,-0.5 2,-0.3 0.658 59.9 -48.8 -92.4 -25.2 31.1 34.1 11.2 75 75 A G E -CD 65 88A 0 -10,-0.8 -10,-2.4 13,-0.2 -1,-0.3 -0.964 52.9-124.7 171.8-174.7 29.3 37.0 12.8 76 76 A Y E -CD 64 87A 0 11,-2.2 11,-3.2 -2,-0.3 2,-0.3 -0.966 8.6-145.2-150.2 161.9 25.9 38.6 13.5 77 77 A S E -CD 63 86A 9 -14,-1.9 -14,-2.4 -2,-0.3 9,-0.2 -0.893 10.1-172.0-125.7 158.5 24.0 41.9 13.0 78 78 A D E - D 0 85A 2 7,-1.5 7,-2.3 -2,-0.3 2,-0.4 -0.973 36.3-101.6-137.6 149.8 21.3 43.7 15.0 79 79 A P E + D 0 84A 80 0, 0.0 2,-0.3 0, 0.0 74,-0.3 -0.650 51.9 174.6 -61.8 120.8 19.1 46.8 14.3 80 80 A Y E > - D 0 83A 59 3,-2.9 3,-1.0 -2,-0.4 74,-0.1 -0.893 55.2 -27.6-142.2 113.2 20.8 49.6 16.2 81 81 A D T 3 S- 0 0 107 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.897 123.6 -50.9 60.0 44.1 20.1 53.4 16.4 82 82 A N T 3 S+ 0 0 158 1,-0.2 2,-0.3 28,-0.0 -1,-0.3 0.735 123.8 96.8 55.8 30.1 18.6 53.3 12.9 83 83 A K E < S-D 80 0A 78 -3,-1.0 -3,-2.9 26,-0.1 2,-0.7 -0.906 80.5-111.4-133.9 165.6 21.6 51.5 11.5 84 84 A b E -De 79 111A 30 26,-1.6 28,-1.9 -2,-0.3 2,-0.6 -0.914 34.9-156.8 -94.4 112.0 22.6 47.9 10.7 85 85 A R E -De 78 112A 6 -7,-2.3 -7,-1.5 -2,-0.7 2,-0.4 -0.839 6.0-158.6 -96.8 117.3 25.3 47.0 13.2 86 86 A Y E -De 77 113A 25 26,-1.9 28,-2.4 -2,-0.6 2,-0.5 -0.817 6.9-166.4-105.3 133.4 27.6 44.2 12.1 87 87 A H E +D 76 0A 0 -11,-3.2 -11,-2.2 -2,-0.4 2,-0.4 -0.941 12.8 177.6-116.9 110.1 29.6 42.1 14.5 88 88 A I E -D 75 0A 6 -2,-0.5 28,-2.2 -13,-0.2 -13,-0.2 -0.924 32.8-106.5-121.7 142.2 32.4 39.9 13.0 89 89 A F B > -h 116 0D 3 -15,-1.6 3,-1.6 -2,-0.4 30,-0.2 -0.276 34.7-113.7 -60.5 146.8 35.0 37.6 14.6 90 90 A N T 3 S+ 0 0 76 28,-1.9 29,-0.2 26,-0.7 -1,-0.1 0.476 111.2 53.4 -67.4 2.9 38.6 38.9 14.6 91 91 A D T 3 S+ 0 0 88 27,-0.3 2,-0.7 2,-0.0 -1,-0.3 0.327 79.5 95.4-119.8 6.3 39.9 36.2 12.2 92 92 A I < + 0 0 11 -3,-1.6 2,-0.3 -18,-0.1 -4,-0.0 -0.901 60.1 161.5 -95.5 112.0 37.4 36.5 9.4 93 93 A K >> - 0 0 128 -2,-0.7 3,-0.9 4,-0.0 4,-0.7 -0.873 35.0 -4.3-134.2 165.5 39.4 38.8 7.0 94 94 A G H 3> S+ 0 0 55 -2,-0.3 4,-1.7 1,-0.2 5,-0.2 -0.270 124.0 8.8 63.7-127.8 39.4 39.9 3.3 95 95 A T H 3> S+ 0 0 116 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 136.6 44.6 -53.5 -48.8 37.0 38.3 0.8 96 96 A E H <> S+ 0 0 61 -3,-0.9 4,-2.4 1,-0.2 -2,-0.2 0.943 108.4 57.7 -64.4 -48.2 35.0 36.5 3.6 97 97 A Y H X S+ 0 0 59 -4,-0.7 4,-2.8 1,-0.2 -1,-0.2 0.813 113.0 38.0 -52.8 -41.5 35.0 39.5 5.9 98 98 A S H X S+ 0 0 47 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.739 109.4 56.9 -98.0 -12.2 33.2 41.7 3.3 99 99 A D H X S+ 0 0 67 -4,-1.9 4,-1.2 -5,-0.2 -2,-0.2 0.885 115.8 44.4 -70.2 -32.4 30.9 39.1 1.9 100 100 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 3,-0.4 0.974 116.2 43.3 -70.8 -52.0 29.9 38.9 5.6 101 101 A E H X S+ 0 0 22 -4,-2.8 4,-2.3 1,-0.2 -3,-0.2 0.898 119.6 42.8 -56.6 -50.1 29.8 42.7 6.2 102 102 A N H < S+ 0 0 63 -4,-2.1 5,-0.3 2,-0.2 -1,-0.2 0.602 115.8 47.6 -75.4 -21.9 28.0 43.4 3.0 103 103 A T H < S+ 0 0 64 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.766 116.7 42.4 -87.7 -33.8 25.5 40.5 3.2 104 104 A L H < S+ 0 0 14 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.926 133.8 19.5 -72.9 -41.3 24.6 41.2 6.9 105 105 A b S < S- 0 0 0 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.1 -0.847 87.3-134.4-133.7 94.8 24.4 45.0 6.3 106 106 A P > - 0 0 68 0, 0.0 3,-1.9 0, 0.0 -22,-0.1 -0.148 13.0-129.7 -47.8 134.6 24.0 46.1 2.7 107 107 A S T 3 S+ 0 0 87 1,-0.3 4,-0.1 -5,-0.3 -4,-0.1 0.543 104.9 66.2 -65.7 -7.2 26.2 49.0 1.5 108 108 A S T 3 S+ 0 0 100 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.440 100.8 56.1 -92.3 -4.8 23.3 50.9 0.2 109 109 A N S < S- 0 0 102 -3,-1.9 -26,-0.1 -4,-0.1 -25,-0.1 -0.891 101.3 -80.5-126.1 159.0 21.8 51.3 3.7 110 110 A P + 0 0 88 0, 0.0 -26,-1.6 0, 0.0 2,-0.3 -0.261 58.6 162.3 -61.6 140.4 23.2 52.9 6.9 111 111 A R E -e 84 0A 76 -28,-0.2 2,-0.3 -4,-0.1 -26,-0.2 -0.971 23.3-165.6-155.2 164.4 25.5 50.7 8.9 112 112 A V E -e 85 0A 55 -28,-1.9 -26,-1.9 -2,-0.3 2,-0.3 -0.973 21.7-121.7-155.4 145.9 28.2 50.6 11.6 113 113 A A E +e 86 0A 42 -2,-0.3 -26,-0.2 -28,-0.2 -28,-0.1 -0.652 21.9 175.3 -92.4 137.7 30.8 48.0 12.9 114 114 A K - 0 0 60 -28,-2.4 -2,-0.0 -2,-0.3 -29,-0.0 -0.729 30.6-144.1-135.3 91.1 31.0 46.7 16.3 115 115 A P - 0 0 66 0, 0.0 2,-0.8 0, 0.0 -26,-0.2 -0.063 12.3-129.9 -53.1 148.7 33.8 44.0 16.2 116 116 A I B -h 89 0D 0 -28,-2.2 2,-1.2 2,-0.1 -26,-0.7 -0.933 23.8-152.2 -96.6 109.7 33.9 40.8 18.1 117 117 A N S S+ 0 0 104 -2,-0.8 2,-0.2 -28,-0.2 -28,-0.1 -0.286 70.5 45.2 -88.3 48.6 37.4 41.2 19.5 118 118 A Y S S- 0 0 8 -2,-1.2 -28,-1.9 10,-0.0 -27,-0.3 -0.908 89.1 -94.2-169.0 168.7 38.1 37.4 19.7 119 119 A N - 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0 0 87 -3,-2.3 -1,-0.2 1,-0.1 3,-0.1 -0.751 49.9-152.8 -98.1 136.9 21.9 48.1 23.0 155 155 A G S S+ 0 0 47 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.881 82.7 28.2 -68.8 -39.2 24.7 50.6 23.0 156 156 A S + 0 0 104 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.977 64.9 149.5-130.4 136.0 26.7 48.9 25.6 157 157 A F - 0 0 28 -2,-0.4 2,-0.1 -3,-0.1 -6,-0.1 -0.977 40.7-101.8-159.3 157.0 27.0 45.3 26.6 158 158 A T > - 0 0 79 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.393 17.6-126.3 -84.6 157.2 29.7 43.1 28.0 159 159 A E H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.800 111.5 60.9 -66.5 -28.9 32.0 40.6 26.3 160 160 A K H > S+ 0 0 103 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.909 108.4 39.7 -65.8 -40.5 30.8 38.1 29.0 161 161 A I H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.824 115.3 53.7 -79.5 -26.8 27.0 38.3 27.9 162 162 A E H X S+ 0 0 7 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.927 111.1 44.8 -66.0 -43.9 28.0 38.4 24.2 163 163 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.834 113.8 50.0 -74.0 -28.8 30.1 35.2 24.5 164 164 A K H X S+ 0 0 78 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.887 110.0 51.5 -70.8 -41.7 27.3 33.5 26.6 165 165 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.928 111.4 47.4 -54.3 -48.9 24.8 34.5 23.9 166 166 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.866 109.0 52.9 -68.1 -32.1 27.0 33.0 21.2 167 167 A L H X S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.932 114.3 44.2 -68.0 -36.4 27.6 29.7 23.1 168 168 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.921 116.7 44.5 -70.1 -44.4 23.8 29.4 23.4 169 169 A A H X S+ 0 0 2 -4,-2.8 4,-1.3 2,-0.2 5,-0.5 0.904 111.2 52.2 -73.6 -38.2 23.0 30.3 19.8 170 170 A I H <>S+ 0 0 19 -4,-2.5 5,-2.2 1,-0.2 4,-0.5 0.920 114.9 43.1 -63.1 -41.3 25.8 28.1 18.3 171 171 A Q H <>S+ 0 0 0 -4,-1.7 5,-1.0 -5,-0.2 -2,-0.2 0.879 116.7 45.2 -76.1 -34.8 24.5 25.1 20.2 172 172 A M H <5S+ 0 0 2 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.554 129.6 22.7 -84.8 -8.4 20.8 25.7 19.6 173 173 A V T X5S+ 0 0 1 -4,-1.3 4,-1.8 -3,-0.3 -3,-0.2 0.653 133.3 26.3-115.8 -72.2 21.2 26.5 15.8 174 174 A S H >5S+ 0 0 1 -5,-0.5 4,-1.7 -4,-0.5 -3,-0.2 0.945 128.0 39.8 -63.6 -53.1 24.4 25.0 14.4 175 175 A E H >X - 0 0 0 -4,-2.5 4,-2.0 69,-0.3 3,-0.6 -0.925 57.3-163.3-117.1 115.6 23.0 16.5 15.6 180 180 A K H 3> S+ 0 0 90 -2,-0.5 4,-2.5 67,-0.2 68,-0.2 0.820 95.7 62.4 -55.3 -32.9 19.5 15.2 15.9 181 181 A Y H 3> S+ 0 0 33 66,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.910 104.2 45.1 -62.7 -41.2 20.4 14.3 19.5 182 182 A I H <> S+ 0 0 2 -3,-0.6 4,-1.7 65,-0.4 3,-0.4 0.948 111.0 53.5 -71.3 -43.5 21.1 17.9 20.5 183 183 A E H X S+ 0 0 13 -4,-2.0 4,-1.9 -7,-0.5 -2,-0.2 0.908 110.1 49.4 -51.0 -42.3 17.8 19.0 18.7 184 184 A N H X S+ 0 0 71 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.797 104.3 57.9 -70.5 -29.7 16.0 16.4 20.9 185 185 A Q H X S+ 0 0 33 -4,-1.6 4,-1.9 -3,-0.4 -1,-0.2 0.905 109.1 45.8 -62.5 -40.6 17.7 17.7 24.1 186 186 A V H < S+ 0 0 2 -4,-1.7 -2,-0.2 2,-0.2 -45,-0.2 0.929 112.9 49.1 -63.3 -49.7 16.2 21.1 23.5 187 187 A K H >< S+ 0 0 47 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.899 112.0 49.6 -65.4 -36.6 12.7 19.7 22.6 188 188 A T H 3< S+ 0 0 107 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.911 119.7 35.8 -62.7 -47.5 12.8 17.5 25.8 189 189 A N T >< S+ 0 0 23 -4,-1.9 3,-2.0 -5,-0.2 -1,-0.3 -0.032 81.2 138.1 -94.7 34.7 13.7 20.4 28.0 190 190 A F T < S+ 0 0 16 -3,-1.3 -49,-0.5 1,-0.3 -1,-0.2 0.791 72.5 38.4 -54.9 -39.2 11.6 22.9 26.0 191 191 A N T 3 S+ 0 0 162 -3,-0.3 2,-0.3 -4,-0.1 -1,-0.3 0.156 113.2 57.2-102.1 21.5 10.1 24.7 29.0 192 192 A R S < S- 0 0 134 -3,-2.0 2,-0.3 -53,-0.0 -51,-0.3 -0.947 81.2-108.5-144.8 161.3 13.2 24.8 31.2 193 193 A D - 0 0 63 -2,-0.3 2,-0.3 -53,-0.1 -53,-0.2 -0.725 46.3-179.7 -81.4 139.0 16.7 26.0 31.3 194 194 A F B -I 139 0E 9 -55,-2.7 -55,-2.7 -2,-0.3 -5,-0.0 -0.985 27.9-122.5-139.6 160.1 19.1 23.0 31.2 195 195 A S - 0 0 56 -2,-0.3 -57,-0.1 -57,-0.2 -60,-0.1 -0.816 38.1-106.4-100.1 138.0 22.8 22.2 31.2 196 196 A P - 0 0 4 0, 0.0 -59,-0.1 0, 0.0 -1,-0.0 -0.397 38.8-137.1 -66.5 127.4 24.3 20.2 28.2 197 197 A N > - 0 0 33 -2,-0.1 4,-1.8 1,-0.1 3,-0.3 -0.136 28.0 -90.5 -77.0-178.8 25.2 16.7 29.3 198 198 A D H > S+ 0 0 57 33,-1.0 4,-1.9 1,-0.2 33,-0.2 0.815 124.0 53.3 -67.0 -31.4 28.3 14.7 28.5 199 199 A K H > S+ 0 0 22 2,-0.2 4,-2.3 32,-0.2 -1,-0.2 0.856 106.2 55.3 -70.1 -36.0 26.9 13.1 25.3 200 200 A V H > S+ 0 0 1 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.978 112.4 41.7 -55.5 -58.5 26.0 16.6 23.9 201 201 A L H X S+ 0 0 23 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.874 114.2 52.7 -61.6 -36.1 29.7 18.0 24.4 202 202 A D H X S+ 0 0 23 -4,-1.9 4,-0.8 -5,-0.2 -1,-0.2 0.939 110.5 45.6 -66.8 -46.9 31.2 14.7 23.1 203 203 A L H >< S+ 0 0 0 -4,-2.3 3,-1.2 2,-0.2 4,-0.3 0.937 111.0 53.9 -58.6 -45.7 29.2 14.8 19.9 204 204 A E H >< S+ 0 0 13 -4,-2.3 3,-0.8 1,-0.3 -2,-0.2 0.911 111.8 47.1 -52.4 -40.7 29.9 18.5 19.4 205 205 A E H 3< S+ 0 0 117 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.507 115.6 42.0 -75.4 -21.5 33.6 17.7 19.7 206 206 A N T S+ 0 0 19 -3,-0.8 4,-2.0 -4,-0.3 45,-0.4 0.912 81.5 46.0 -56.3 -45.2 31.5 15.8 14.4 208 208 A G H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.943 113.1 49.8 -65.3 -45.2 34.3 15.6 11.9 209 209 A K H > S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.922 110.8 49.0 -61.0 -44.9 35.4 12.2 13.2 210 210 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.857 110.7 51.3 -58.9 -44.4 31.8 10.7 13.0 211 211 A S H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.914 110.2 47.2 -61.8 -47.8 31.2 12.0 9.4 212 212 A T H X S+ 0 0 66 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.936 113.0 50.9 -61.2 -49.4 34.5 10.5 8.1 213 213 A A H X S+ 0 0 11 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.934 112.4 44.5 -56.1 -51.6 33.6 7.1 9.8 214 214 A I H >< S+ 0 0 1 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.926 113.3 51.3 -59.3 -45.1 30.1 6.9 8.3 215 215 A H H 3< S+ 0 0 8 -4,-2.5 44,-0.3 1,-0.3 -1,-0.2 0.843 112.8 46.2 -60.1 -38.0 31.3 7.9 4.8 216 216 A N H 3< S+ 0 0 94 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.415 86.2 121.6 -90.7 3.8 34.0 5.2 5.0 217 217 A S << - 0 0 9 -3,-1.2 2,-0.5 -4,-0.6 42,-0.4 -0.365 51.9-146.9 -65.3 143.0 31.7 2.4 6.2 218 218 A K B > S-J 221 0F 174 3,-1.8 3,-1.6 1,-0.2 -2,-0.1 -0.943 79.5 -14.7-119.9 124.6 31.4 -0.8 4.2 219 219 A N T 3 S- 0 0 163 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.810 132.0 -51.9 48.1 37.2 28.0 -2.5 4.3 220 220 A G T 3 S+ 0 0 18 1,-0.2 21,-1.8 -6,-0.1 2,-0.5 0.577 109.9 120.4 85.5 11.4 27.1 -0.4 7.3 221 221 A A E < -JK 218 240F 46 -3,-1.6 -3,-1.8 19,-0.2 19,-0.2 -0.945 63.2-122.0-112.0 128.3 30.2 -1.1 9.4 222 222 A L E - 0 0 14 17,-1.8 -8,-0.1 -2,-0.5 -5,-0.1 -0.371 23.9-117.8 -64.9 142.4 32.5 1.6 10.6 223 223 A P E S- 0 0 70 0, 0.0 -1,-0.1 0, 0.0 16,-0.0 0.759 94.4 -8.8 -45.9 -38.7 36.2 1.2 9.6 224 224 A K E S- 0 0 155 14,-0.1 14,-0.0 15,-0.0 -2,-0.0 -0.952 97.4 -66.3-155.1 160.8 37.2 0.9 13.3 225 225 A P E - 0 0 76 0, 0.0 2,-0.6 0, 0.0 14,-0.2 -0.286 42.1-146.3 -53.5 136.9 35.4 1.4 16.7 226 226 A L E - K 0 238F 12 12,-2.6 12,-2.9 -4,-0.0 2,-0.8 -0.941 9.6-149.2-107.5 117.5 34.4 4.9 17.5 227 227 A E E + K 0 237F 117 -2,-0.6 10,-0.2 10,-0.2 2,-0.1 -0.801 31.9 152.1 -98.0 113.1 34.6 5.7 21.2 228 228 A L E - K 0 236F 2 8,-3.2 8,-2.4 -2,-0.8 2,-0.4 -0.324 38.2 -99.1-117.0-163.7 32.1 8.2 22.4 229 229 A K E - K 0 235F 87 6,-0.3 6,-0.2 -30,-0.1 -26,-0.1 -0.993 20.0-133.4-130.9 135.4 30.2 9.0 25.6 230 230 A N > - 0 0 52 4,-2.8 3,-2.1 -2,-0.4 -28,-0.1 -0.255 43.8 -90.7 -72.9 172.4 26.8 8.3 27.0 231 231 A A T 3 S+ 0 0 50 1,-0.3 -33,-1.0 -33,-0.2 -32,-0.2 0.788 130.2 48.9 -56.1 -32.5 24.5 10.9 28.6 232 232 A D T 3 S- 0 0 116 -35,-0.1 -1,-0.3 -34,-0.1 -2,-0.0 0.314 122.7-105.1 -91.0 8.1 26.0 10.1 32.0 233 233 A G S < S+ 0 0 27 -3,-2.1 -2,-0.1 1,-0.3 3,-0.1 0.371 74.5 136.4 90.7 -9.3 29.6 10.3 30.7 234 234 A T - 0 0 73 1,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.320 65.9 -86.3 -66.6 154.2 30.4 6.6 30.6 235 235 A K E -K 229 0F 125 -6,-0.2 2,-0.5 -8,-0.0 -6,-0.3 -0.362 40.6-166.0 -62.9 137.4 32.2 5.2 27.5 236 236 A W E -K 228 0F 42 -8,-2.4 -8,-3.2 -3,-0.1 2,-0.6 -0.979 6.3-154.2-125.8 117.1 30.1 4.2 24.5 237 237 A I E -K 227 0F 83 -2,-0.5 2,-0.5 -10,-0.2 -10,-0.2 -0.824 7.7-160.6 -96.3 121.3 31.7 2.1 21.7 238 238 A V E +K 226 0F 0 -12,-2.9 -12,-2.6 -2,-0.6 -14,-0.1 -0.872 22.3 162.2-104.6 125.9 30.1 2.5 18.3 239 239 A L E + 0 0 93 -2,-0.5 -17,-1.8 -14,-0.2 2,-0.3 0.695 61.0 42.6-110.3 -24.4 30.7 -0.3 15.7 240 240 A R E >> S-K 221 0F 121 -19,-0.2 3,-1.1 1,-0.1 4,-0.7 -0.889 72.6-122.8-133.7 154.9 28.0 0.3 13.1 241 241 A V H >> S+ 0 0 5 -21,-1.8 4,-3.0 -2,-0.3 3,-0.7 0.834 109.9 59.4 -62.7 -38.7 26.3 3.2 11.3 242 242 A D H 34 S+ 0 0 102 -22,-0.4 -1,-0.3 1,-0.2 -21,-0.1 0.636 99.8 59.6 -70.4 -15.3 22.8 2.2 12.5 243 243 A E H <4 S+ 0 0 55 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.811 119.0 25.6 -74.2 -36.3 24.0 2.7 16.1 244 244 A I H XX S+ 0 0 0 -3,-0.7 3,-2.5 -4,-0.7 4,-0.6 0.720 99.7 86.9-102.1 -27.0 25.0 6.4 15.7 245 245 A K G >< S+ 0 0 87 -4,-3.0 3,-1.0 1,-0.3 -3,-0.1 0.780 79.9 64.2 -51.4 -37.2 22.6 7.3 12.8 246 246 A P G 34 S+ 0 0 80 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.757 105.2 46.4 -56.0 -24.3 19.7 8.3 15.2 247 247 A D G <4 S+ 0 0 18 -3,-2.5 -66,-2.2 -67,-0.2 2,-0.5 0.649 97.9 84.0 -92.4 -12.7 21.8 11.1 16.7 248 248 A V << + 0 0 2 -3,-1.0 -69,-0.3 -4,-0.6 3,-0.1 -0.814 37.2 169.1-104.1 123.3 23.1 12.7 13.4 249 249 A G S S+ 0 0 3 -71,-2.3 2,-0.3 -2,-0.5 -70,-0.2 0.688 73.2 15.3 -97.8 -24.9 21.2 15.2 11.3 250 250 A L - 0 0 0 -72,-1.9 2,-0.3 -213,-0.1 -1,-0.3 -0.993 65.6-135.5-152.2 141.3 24.0 16.3 8.8 251 251 A L B -g 39 0C 0 -213,-2.4 -211,-2.0 -2,-0.3 2,-0.2 -0.727 25.7-120.0 -94.0 142.8 27.5 15.0 7.8 252 252 A N - 0 0 42 -45,-0.4 2,-0.1 -2,-0.3 -182,-0.1 -0.576 51.8 -82.0 -73.5 144.8 30.4 17.3 7.4 253 253 A Y + 0 0 60 -184,-0.5 2,-0.4 -212,-0.3 -1,-0.1 -0.332 51.8 178.0 -55.9 129.1 31.7 17.2 3.8 254 254 A V - 0 0 23 -214,-0.2 -212,-0.0 2,-0.1 -3,-0.0 -0.999 28.3-119.8-133.4 125.0 34.0 14.2 3.1 255 255 A N + 0 0 125 -2,-0.4 2,-0.1 2,-0.0 0, 0.0 -0.210 69.0 30.0 -66.9 151.9 35.4 13.8 -0.4 256 256 A G S S- 0 0 55 2,-0.0 2,-0.2 0, 0.0 -2,-0.1 -0.343 93.8 -46.6 94.3-178.2 34.7 10.8 -2.6 257 257 A T + 0 0 139 -2,-0.1 2,-0.3 -225,-0.0 -223,-0.1 -0.619 49.0 176.6 -95.7 151.5 31.9 8.3 -2.9 258 258 A a - 0 0 28 -2,-0.2 2,-0.4 -225,-0.2 -225,-0.1 -0.932 48.9 -75.5-141.5 163.7 30.1 6.5 -0.1 259 259 A Q - 0 0 99 -42,-0.4 -224,-2.5 -44,-0.3 -223,-0.1 -0.562 45.7-154.4 -64.3 119.3 27.1 4.1 0.1 260 260 A A 0 0 42 -2,-0.4 -224,-2.4 -226,-0.3 -1,-0.2 0.801 360.0 360.0 -74.5 -31.2 24.3 6.6 -0.5 261 261 A T 0 0 113 -226,-0.3 -1,-0.1 -227,-0.1 -227,-0.1 0.650 360.0 360.0-128.6 360.0 21.6 4.6 1.3