==== 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 LIPID BINDING PROTEIN 11-MAY-04 1T7Z . COMPND 2 MOLECULE: ZINC-ALPHA-2-GLYCOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.L.DELKER,A.P.WEST JR.,L.MCDERMOTT,M.W.KENNEDY,P.J.BJORKMAN . 273 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15642.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 72.2 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 . 95 34.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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-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 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 1 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 . 1 1 0 3 0 2 2 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 5 A D 0 0 150 0, 0.0 2,-0.1 0, 0.0 101,-0.0 0.000 360.0 360.0 360.0 163.7 18.7 77.8 2.3 2 6 A G - 0 0 29 100,-0.1 101,-1.8 1,-0.1 102,-0.4 -0.194 360.0 -60.6-110.4-156.9 18.7 75.6 5.4 3 7 A R E +A 102 0A 143 99,-0.2 2,-0.3 100,-0.1 99,-0.2 -0.731 49.2 170.9 -93.4 138.6 16.3 74.6 8.2 4 8 A Y E -A 101 0A 28 97,-2.3 97,-1.9 -2,-0.3 2,-0.4 -0.994 9.4-166.7-146.3 143.9 14.8 77.2 10.5 5 9 A S E -A 100 0A 36 -2,-0.3 25,-2.2 95,-0.2 2,-0.5 -0.990 12.9-157.6-144.5 135.4 12.1 76.9 13.1 6 10 A L E +AB 99 29A 0 93,-2.4 93,-1.5 -2,-0.4 2,-0.4 -0.922 23.0 178.2-106.4 126.9 9.9 79.3 15.1 7 11 A T E -AB 98 28A 24 21,-2.1 21,-2.6 -2,-0.5 2,-0.4 -0.995 13.5-164.6-138.0 135.0 8.5 77.9 18.4 8 12 A Y E -AB 97 27A 22 89,-3.6 89,-2.2 -2,-0.4 2,-0.4 -0.919 3.7-167.2-116.5 141.5 6.4 79.3 21.1 9 13 A I E -AB 96 26A 61 17,-2.6 17,-1.5 -2,-0.4 2,-0.4 -0.982 1.3-169.9-133.6 123.6 5.8 77.9 24.5 10 14 A Y E -AB 95 25A 7 85,-3.0 85,-2.7 -2,-0.4 2,-0.4 -0.922 2.9-173.0-112.0 135.5 3.1 79.0 27.0 11 15 A T E -AB 94 24A 38 13,-2.8 13,-2.0 -2,-0.4 2,-0.4 -0.991 3.6-179.8-131.5 127.0 3.0 77.9 30.6 12 16 A G E -AB 93 23A 0 81,-2.8 81,-2.2 -2,-0.4 2,-0.5 -0.978 12.7-158.7-129.7 140.1 0.2 78.6 33.0 13 17 A L E > -A 92 0A 43 9,-2.8 3,-0.6 -2,-0.4 79,-0.2 -0.967 10.1-152.9-117.0 126.5 -0.3 77.6 36.7 14 18 A S T 3 S+ 0 0 42 77,-3.0 -1,-0.1 -2,-0.5 78,-0.1 0.770 95.9 20.7 -68.7 -26.7 -3.8 77.7 38.2 15 19 A K T 3 S- 0 0 97 76,-0.3 -1,-0.3 7,-0.1 2,-0.0 -0.533 85.3-168.9-142.9 71.6 -2.5 78.3 41.7 16 20 A H < - 0 0 91 -3,-0.6 6,-0.1 1,-0.1 2,-0.1 -0.304 13.5-132.4 -66.9 143.8 1.0 79.8 41.5 17 21 A V > - 0 0 97 1,-0.2 3,-1.8 4,-0.1 -1,-0.1 -0.362 46.2 -58.0 -88.2 171.1 3.2 80.2 44.5 18 22 A E T 3 S+ 0 0 160 1,-0.3 -1,-0.2 -2,-0.1 0, 0.0 -0.143 121.8 10.7 -52.1 137.6 5.2 83.2 45.6 19 23 A D T 3 S+ 0 0 169 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.535 102.9 106.3 70.0 7.7 7.8 84.6 43.1 20 24 A V S < S- 0 0 50 -3,-1.8 -1,-0.1 20,-0.0 -7,-0.1 -0.941 70.7-130.1-121.2 109.6 6.4 82.3 40.3 21 25 A P - 0 0 28 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.232 11.0-133.1 -55.6 141.1 4.4 84.1 37.6 22 26 A A S S+ 0 0 21 1,-0.1 -9,-2.8 -6,-0.1 2,-0.4 0.754 91.7 30.9 -67.4 -25.0 1.0 82.4 36.9 23 27 A F E +B 12 0A 0 -11,-0.2 16,-2.3 2,-0.0 2,-0.3 -0.996 65.6 176.9-138.6 141.8 1.8 82.7 33.2 24 28 A Q E -BC 11 38A 89 -13,-2.0 -13,-2.8 -2,-0.4 2,-0.3 -0.995 4.7-171.6-144.7 144.2 5.0 82.6 31.1 25 29 A A E +BC 10 37A 4 12,-3.0 12,-2.6 -2,-0.3 2,-0.3 -0.975 8.1 169.7-136.2 146.5 5.7 82.7 27.4 26 30 A L E -BC 9 36A 54 -17,-1.5 -17,-2.6 -2,-0.3 2,-0.4 -0.985 14.3-153.3-154.5 155.4 8.9 82.3 25.5 27 31 A G E -BC 8 35A 0 8,-1.5 7,-2.4 -2,-0.3 8,-1.0 -0.997 6.3-157.7-139.3 138.9 9.9 81.9 21.8 28 32 A S E -BC 7 33A 31 -21,-2.6 -21,-2.1 -2,-0.4 2,-0.6 -0.886 12.3-158.2-121.0 147.7 12.8 80.2 20.1 29 33 A L E > S-BC 6 32A 1 3,-3.1 3,-2.7 -2,-0.4 -23,-0.2 -0.986 75.0 -52.9-118.4 111.6 14.5 80.5 16.7 30 34 A N T 3 S- 0 0 51 -25,-2.2 -23,-0.1 -2,-0.6 -26,-0.1 -0.306 125.6 -14.0 51.9-127.9 16.4 77.3 16.1 31 35 A D T 3 S+ 0 0 57 -3,-0.1 2,-0.4 146,-0.1 -1,-0.3 0.303 122.9 82.5 -87.4 11.6 18.5 76.7 19.2 32 36 A L E < S-C 29 0A 2 -3,-2.7 -3,-3.1 204,-0.0 2,-0.6 -0.928 70.5-134.6-122.4 140.4 18.2 80.2 20.6 33 37 A Q E +C 28 0A 49 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.799 22.5 179.7 -88.8 126.1 15.5 81.9 22.8 34 38 A F E + 0 0 2 -7,-2.4 13,-1.7 -2,-0.6 2,-0.3 0.449 57.8 10.3-105.8 -4.8 14.8 85.3 21.3 35 39 A F E -CD 27 46A 1 -8,-1.0 -8,-1.5 11,-0.3 2,-0.3 -0.996 51.3-165.5-166.7 166.1 12.1 86.5 23.7 36 40 A R E -CD 26 45A 99 9,-1.7 9,-2.8 -2,-0.3 2,-0.3 -0.989 3.2-177.1-158.5 151.9 10.1 86.1 26.9 37 41 A Y E -C 25 0A 3 -12,-2.6 -12,-3.0 -2,-0.3 2,-0.3 -0.989 5.9-179.3-147.9 149.3 7.0 87.4 28.6 38 42 A N E > -C 24 0A 21 -2,-0.3 4,-1.1 -14,-0.2 5,-0.2 -0.982 39.7-111.7-149.5 163.0 5.3 86.8 32.0 39 43 A S T 4 S+ 0 0 19 -16,-2.3 -15,-0.1 -2,-0.3 -1,-0.0 0.478 108.5 57.9 -74.1 -2.0 2.3 87.8 34.0 40 44 A K T 4 S+ 0 0 163 -17,-0.3 -1,-0.1 3,-0.1 -16,-0.0 0.917 119.2 21.5 -89.3 -71.0 4.3 89.8 36.5 41 45 A D T 4 S- 0 0 76 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.641 93.0-150.2 -71.0 -14.9 6.3 92.4 34.5 42 46 A R < + 0 0 85 -4,-1.1 2,-0.4 1,-0.1 -3,-0.1 0.738 49.8 126.0 50.7 32.6 3.6 91.9 31.8 43 47 A K - 0 0 87 -5,-0.2 2,-0.8 23,-0.1 -5,-0.2 -0.965 62.6-131.0-130.5 136.4 6.1 92.8 29.0 44 48 A S - 0 0 5 15,-0.5 19,-0.2 -2,-0.4 -7,-0.2 -0.681 37.6-173.8 -78.9 111.1 7.3 91.2 25.8 45 49 A Q E -D 36 0A 69 -9,-2.8 -9,-1.7 -2,-0.8 6,-0.1 -0.916 20.8-132.7-117.8 130.9 11.1 91.3 26.0 46 50 A P E -D 35 0A 31 0, 0.0 -11,-0.3 0, 0.0 2,-0.3 -0.316 29.9-156.1 -69.3 159.6 13.7 90.4 23.4 47 51 A M > - 0 0 37 -13,-1.7 3,-2.3 186,-0.0 4,-0.3 -0.854 40.7 -6.4-136.2 170.6 16.7 88.3 24.5 48 52 A G G > S- 0 0 5 1,-0.3 3,-1.6 -2,-0.3 186,-0.2 -0.125 128.8 -8.7 47.6-135.9 20.2 87.3 23.8 49 53 A L G > S+ 0 0 36 184,-0.6 3,-0.8 1,-0.3 -1,-0.3 0.613 127.9 72.2 -66.4 -13.9 21.5 88.8 20.5 50 54 A W G X S+ 0 0 4 -3,-2.3 3,-0.7 1,-0.2 -1,-0.3 0.599 77.5 78.0 -79.1 -9.9 18.0 90.0 19.6 51 55 A R G < S+ 0 0 152 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.793 99.4 42.4 -66.3 -27.3 18.2 92.7 22.3 52 56 A Q G < S+ 0 0 160 -3,-0.8 2,-0.3 -4,-0.2 -1,-0.2 0.396 93.2 100.7 -98.0 -3.2 20.4 94.7 19.8 53 57 A V < - 0 0 36 -3,-0.7 2,-0.4 -4,-0.1 3,-0.1 -0.694 57.3-159.2 -87.1 139.2 18.3 94.0 16.7 54 58 A E + 0 0 174 -2,-0.3 4,-0.1 1,-0.1 -2,-0.0 -0.943 61.0 19.1-123.9 142.6 16.0 96.8 15.6 55 59 A G S S+ 0 0 56 -2,-0.4 3,-0.2 2,-0.2 -1,-0.1 0.429 89.6 101.3 88.0 -1.0 12.9 96.8 13.4 56 60 A M S S+ 0 0 5 1,-0.3 2,-0.3 -6,-0.1 -2,-0.1 0.882 92.8 4.6 -82.8 -40.3 12.1 93.1 13.7 57 61 A E - 0 0 48 112,-0.0 2,-1.8 4,-0.0 -1,-0.3 -0.958 62.4-132.0-151.3 128.2 9.3 93.3 16.2 58 62 A D >> - 0 0 97 -2,-0.3 4,-2.2 1,-0.2 3,-1.2 -0.611 27.6-169.3 -76.1 87.7 7.5 96.2 18.0 59 63 A W H 3> S+ 0 0 45 -2,-1.8 4,-2.2 1,-0.3 -15,-0.5 0.783 81.2 59.5 -52.9 -30.1 7.9 94.7 21.4 60 64 A K H 3> S+ 0 0 174 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.887 110.0 42.6 -68.0 -35.9 5.5 97.3 22.9 61 65 A Q H <> S+ 0 0 124 -3,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.868 112.2 52.5 -77.5 -36.4 2.8 96.1 20.6 62 66 A D H X S+ 0 0 18 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.876 99.4 65.3 -65.9 -35.2 3.6 92.4 21.1 63 67 A S H X S+ 0 0 6 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.929 103.0 47.7 -50.9 -45.3 3.3 93.0 24.8 64 68 A Q H X S+ 0 0 88 -4,-0.9 4,-1.9 2,-0.2 -1,-0.3 0.899 109.8 52.3 -62.3 -42.0 -0.3 93.7 24.2 65 69 A L H X S+ 0 0 65 -4,-1.5 4,-2.8 1,-0.2 -2,-0.2 0.945 108.6 50.5 -58.8 -49.9 -0.7 90.6 22.1 66 70 A Q H X S+ 0 0 1 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.832 106.9 53.8 -59.1 -35.5 0.8 88.5 24.9 67 71 A K H X S+ 0 0 49 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.923 110.1 49.0 -64.5 -41.8 -1.6 89.9 27.4 68 72 A A H X S+ 0 0 47 -4,-1.9 4,-1.7 2,-0.2 3,-0.3 0.983 112.6 45.3 -59.4 -59.3 -4.4 88.9 25.1 69 73 A R H X S+ 0 0 72 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.917 109.7 58.1 -49.7 -48.4 -3.1 85.4 24.7 70 74 A E H X S+ 0 0 13 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.904 103.6 50.5 -49.0 -51.8 -2.5 85.2 28.4 71 75 A D H X S+ 0 0 94 -4,-2.2 4,-1.6 -3,-0.3 -1,-0.2 0.887 114.6 43.9 -56.8 -42.4 -6.1 85.9 29.3 72 76 A I H X S+ 0 0 95 -4,-1.7 4,-2.4 -3,-0.2 -2,-0.2 0.934 113.5 50.3 -68.3 -47.5 -7.3 83.2 26.9 73 77 A F H X S+ 0 0 7 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.932 113.6 45.1 -56.3 -49.9 -4.7 80.7 28.0 74 78 A M H X S+ 0 0 40 -4,-3.1 4,-2.7 -5,-0.2 -1,-0.2 0.822 109.9 54.5 -66.3 -32.1 -5.5 81.2 31.6 75 79 A E H X S+ 0 0 107 -4,-1.6 4,-2.5 -5,-0.3 -1,-0.2 0.904 107.0 53.7 -66.6 -39.0 -9.2 81.0 31.0 76 80 A T H X S+ 0 0 9 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.966 110.7 43.5 -58.3 -55.7 -8.6 77.7 29.3 77 81 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 3,-0.3 0.932 110.8 57.4 -55.2 -48.6 -6.8 76.3 32.3 78 82 A K H X S+ 0 0 108 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.927 106.2 49.1 -46.8 -52.8 -9.5 77.7 34.6 79 83 A D H X S+ 0 0 37 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.835 107.6 53.1 -60.4 -36.7 -12.2 75.8 32.7 80 84 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 -3,-0.3 -1,-0.2 0.948 110.7 47.0 -65.6 -45.8 -10.4 72.5 32.9 81 85 A V H <>S+ 0 0 5 -4,-2.4 5,-1.9 1,-0.2 -2,-0.2 0.887 111.1 52.2 -61.5 -37.8 -10.0 72.8 36.6 82 86 A E H ><5S+ 0 0 95 -4,-2.3 3,-1.6 -5,-0.3 -1,-0.2 0.919 107.2 54.9 -63.1 -41.3 -13.7 73.8 36.8 83 87 A Y H 3<5S+ 0 0 110 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.910 110.5 42.3 -58.9 -45.7 -14.4 70.7 34.9 84 88 A Y T 3<5S- 0 0 84 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.263 106.7-129.5 -86.3 14.5 -12.7 68.4 37.3 85 89 A K T < 5S+ 0 0 196 -3,-1.6 -3,-0.2 -5,-0.2 -2,-0.1 0.875 72.0 116.5 38.3 56.9 -14.2 70.3 40.2 86 90 A D < + 0 0 61 -5,-1.9 3,-0.2 1,-0.1 -1,-0.1 -0.487 14.9 143.4-153.5 77.3 -10.8 70.7 41.8 87 91 A S + 0 0 71 1,-0.2 4,-0.1 -5,-0.1 -5,-0.1 0.457 65.5 75.0 -95.0 -2.2 -9.5 74.2 42.2 88 92 A T S S+ 0 0 118 -3,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.778 90.4 67.4 -78.2 -28.3 -7.8 73.6 45.6 89 93 A G S S- 0 0 22 -3,-0.2 2,-0.5 -8,-0.1 -3,-0.0 -0.287 91.8-109.1 -83.4 174.2 -5.0 71.7 43.9 90 94 A S - 0 0 71 -76,-0.1 2,-0.3 -2,-0.1 -2,-0.1 -0.922 37.9-178.5-110.0 131.2 -2.4 73.3 41.6 91 95 A H - 0 0 25 -2,-0.5 -77,-3.0 -4,-0.1 2,-0.4 -0.920 13.2-147.9-129.8 154.0 -2.5 72.5 37.9 92 96 A V E -A 13 0A 34 -2,-0.3 24,-2.5 -79,-0.2 2,-0.4 -0.918 4.1-165.0-124.2 147.5 -0.5 73.5 34.9 93 97 A L E -AE 12 115A 0 -81,-2.2 -81,-2.8 -2,-0.4 2,-0.4 -0.993 9.9-169.7-126.4 133.0 -1.4 74.0 31.2 94 98 A Q E -AE 11 114A 73 20,-2.5 20,-2.6 -2,-0.4 2,-0.4 -0.995 1.4-168.4-130.1 127.0 1.4 74.1 28.6 95 99 A G E -AE 10 113A 1 -85,-2.7 -85,-3.0 -2,-0.4 2,-0.4 -0.927 3.3-175.5-114.6 140.0 0.9 75.1 25.1 96 100 A R E +AE 9 112A 95 16,-2.7 16,-2.7 -2,-0.4 2,-0.3 -1.000 16.3 150.1-134.5 130.0 3.4 74.6 22.3 97 101 A F E +AE 8 111A 5 -89,-2.2 -89,-3.6 -2,-0.4 2,-0.3 -0.990 7.7 109.7-157.1 160.5 3.0 75.9 18.8 98 102 A G E -AE 7 110A 0 12,-2.0 12,-2.4 -2,-0.3 2,-0.3 -0.958 40.8-112.5 159.7-173.1 5.0 77.1 15.9 99 103 A C E -AE 6 109A 3 -93,-1.5 -93,-2.4 -2,-0.3 2,-0.3 -0.907 14.4-148.3-146.8 172.2 6.2 76.3 12.3 100 104 A E E -AE 5 108A 46 8,-2.6 7,-3.1 -2,-0.3 8,-1.1 -0.997 4.3-164.1-151.1 143.5 9.3 75.5 10.4 101 105 A I E -AE 4 106A 4 -97,-1.9 -97,-2.3 -2,-0.3 2,-0.4 -0.889 3.3-165.4-125.4 157.5 10.7 76.0 6.9 102 106 A E E > S+AE 3 105A 81 3,-3.0 3,-0.8 -2,-0.3 -99,-0.2 -0.968 81.5 1.5-142.7 119.5 13.5 74.5 4.9 103 107 A N T 3 S- 0 0 86 -101,-1.8 -1,-0.2 -2,-0.4 -100,-0.1 0.979 130.6 -59.6 64.9 54.8 14.8 76.1 1.7 104 108 A N T 3 S+ 0 0 84 -102,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.635 117.6 119.1 48.1 14.7 12.3 79.0 2.1 105 109 A R E < S-E 102 0A 189 -3,-0.8 -3,-3.0 2,-0.0 2,-0.2 -0.940 75.9-114.9-114.2 122.8 9.7 76.3 1.9 106 110 A S E +E 101 0A 69 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.364 37.9 176.9 -53.2 117.5 7.3 75.7 4.9 107 111 A S E - 0 0 48 -7,-3.1 2,-0.2 1,-0.3 -6,-0.2 0.287 52.6 -14.6-111.7 7.7 8.3 72.3 6.1 108 112 A G E -E 100 0A 31 -8,-1.1 -8,-2.6 50,-0.1 2,-0.3 -0.873 47.3-164.4 165.8 161.3 6.0 71.8 9.1 109 113 A A E -E 99 0A 34 -10,-0.3 2,-0.3 -2,-0.2 -10,-0.2 -0.979 8.4-179.7-162.2 153.4 3.7 73.2 11.8 110 114 A F E -E 98 0A 40 -12,-2.4 -12,-2.0 -2,-0.3 2,-0.2 -0.984 12.4-177.9-155.9 161.3 2.2 72.2 15.1 111 115 A W E +E 97 0A 43 -2,-0.3 12,-2.1 12,-0.3 2,-0.3 -0.641 25.4 152.1-166.5 99.7 -0.1 73.4 17.9 112 116 A K E -EF 96 122A 38 -16,-2.7 -16,-2.7 10,-0.2 2,-0.3 -0.966 26.3-150.0-139.4 153.2 -0.7 71.3 20.9 113 117 A Y E -EF 95 121A 20 8,-3.3 7,-2.8 -2,-0.3 8,-1.0 -0.870 4.0-159.6-121.0 153.9 -1.6 71.6 24.6 114 118 A Y E -EF 94 119A 59 -20,-2.6 -20,-2.5 -2,-0.3 2,-0.5 -0.998 4.1-158.4-134.1 130.9 -0.7 69.5 27.7 115 119 A Y E > S-EF 93 118A 12 3,-2.4 3,-2.2 -2,-0.4 -22,-0.2 -0.947 81.3 -16.1-112.0 126.5 -2.7 69.5 30.9 116 120 A D T 3 S- 0 0 45 -24,-2.5 -1,-0.2 -2,-0.5 -23,-0.1 0.850 129.9 -56.0 47.7 37.6 -0.8 68.2 34.0 117 121 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.3 -25,-0.2 2,-0.2 0.115 116.4 105.2 88.6 -21.9 1.7 66.7 31.6 118 122 A K E < S-F 115 0A 138 -3,-2.2 -3,-2.4 1,-0.1 -1,-0.2 -0.609 85.7 -84.9 -94.3 155.5 -0.7 64.6 29.5 119 123 A D E +F 114 0A 70 -5,-0.2 -5,-0.3 -2,-0.2 -1,-0.1 -0.345 48.4 172.8 -56.9 124.8 -1.8 65.4 26.0 120 124 A Y E - 0 0 2 -7,-2.8 13,-2.5 1,-0.3 14,-1.5 0.859 55.8 -31.8-100.6 -55.6 -4.8 67.7 26.3 121 125 A I E -FG 113 132A 0 -8,-1.0 -8,-3.3 11,-0.2 -1,-0.3 -0.974 51.7-169.3-165.8 150.8 -5.6 68.8 22.8 122 126 A E E -FG 112 131A 66 9,-2.2 9,-4.0 -2,-0.3 2,-0.4 -0.941 22.9-115.6-143.2 164.7 -4.0 69.5 19.4 123 127 A F E - G 0 130A 15 -12,-2.1 2,-0.6 -2,-0.3 -12,-0.3 -0.867 12.9-163.5-108.1 135.9 -4.9 71.1 16.0 124 128 A N E > > - G 0 129A 63 5,-3.1 5,-2.2 -2,-0.4 3,-1.3 -0.934 3.2-167.2-116.9 100.9 -4.9 69.2 12.7 125 129 A K T 3 5S+ 0 0 72 -2,-0.6 -1,-0.1 3,-0.2 5,-0.1 0.505 79.2 72.3 -68.1 -2.0 -4.9 71.8 10.0 126 130 A E T 3 5S+ 0 0 168 3,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.769 112.5 21.4 -85.0 -25.2 -5.8 69.2 7.5 127 131 A I T < 5S- 0 0 111 -3,-1.3 -2,-0.2 2,-0.2 -1,-0.1 0.967 111.2-126.7 -70.9 -54.8 -9.4 68.7 8.6 128 132 A P T 5 + 0 0 36 0, 0.0 2,-0.3 0, 0.0 -3,-0.2 0.645 64.5 100.8 -95.0 145.2 -9.0 71.5 9.8 129 133 A A E < -G 124 0A 15 -5,-2.2 -5,-3.1 22,-0.1 2,-0.3 -0.988 68.0 -85.0-173.2 170.2 -10.1 70.9 13.4 130 134 A W E -G 123 0A 12 -2,-0.3 -7,-0.2 -7,-0.2 21,-0.0 -0.698 31.2-149.6 -91.3 141.3 -9.1 70.4 17.0 131 135 A V E -G 122 0A 46 -9,-4.0 -9,-2.2 -2,-0.3 2,-0.2 -0.950 13.6-151.5-113.4 114.4 -8.4 66.9 18.2 132 136 A P E +G 121 0A 46 0, 0.0 -11,-0.2 0, 0.0 -12,-0.1 -0.593 22.9 172.4 -86.1 146.7 -9.2 66.3 21.9 133 137 A F + 0 0 89 -13,-2.5 -12,-0.2 -2,-0.2 -13,-0.1 0.594 68.4 55.6-120.9 -31.5 -7.4 63.8 24.1 134 138 A D S >> S- 0 0 30 -14,-1.5 3,-1.5 1,-0.1 4,-0.5 -0.834 85.8-122.1-105.8 142.8 -8.8 64.6 27.5 135 139 A P H >> S+ 0 0 62 0, 0.0 3,-1.7 0, 0.0 4,-0.7 0.874 115.3 55.7 -49.0 -41.8 -12.6 64.5 28.2 136 140 A A H >> S+ 0 0 2 1,-0.3 4,-1.5 2,-0.2 3,-0.7 0.820 95.0 69.8 -60.8 -28.8 -12.5 68.2 29.3 137 141 A A H <> S+ 0 0 0 -3,-1.5 4,-2.7 1,-0.2 -1,-0.3 0.713 86.9 65.6 -63.1 -20.5 -10.9 68.9 25.9 138 142 A Q H < S+ 0 0 138 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.929 113.4 45.0 -57.0 -46.2 -16.7 73.0 21.3 143 147 A K H >< S+ 0 0 100 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.931 112.6 49.2 -64.4 -47.6 -15.7 76.5 22.5 144 148 A W H 3< S+ 0 0 47 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.587 118.0 41.0 -69.7 -11.7 -12.8 76.9 20.1 145 149 A E T << S+ 0 0 46 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.035 74.5 115.2-124.0 26.5 -15.0 75.8 17.2 146 150 A A S < S+ 0 0 59 -3,-1.3 -2,-0.1 1,-0.1 -1,-0.1 0.764 80.3 44.6 -67.4 -25.0 -18.3 77.6 18.0 147 151 A E S >> S- 0 0 94 -4,-0.2 3,-1.6 -3,-0.1 4,-0.5 -0.977 82.8-129.6-124.3 135.5 -17.8 79.7 14.8 148 152 A P H 3> S+ 0 0 99 0, 0.0 4,-1.0 0, 0.0 3,-0.3 0.760 106.5 63.0 -49.0 -32.4 -16.8 78.4 11.3 149 153 A V H 3> S+ 0 0 61 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.836 87.3 74.8 -63.9 -36.0 -14.1 81.1 11.1 150 154 A Y H <> S+ 0 0 83 -3,-1.6 4,-2.9 1,-0.2 5,-0.2 0.885 99.4 37.8 -46.7 -57.2 -12.2 79.7 14.1 151 155 A V H X S+ 0 0 25 -4,-0.5 4,-2.7 -3,-0.3 -1,-0.2 0.871 115.0 56.7 -66.1 -34.6 -10.7 76.6 12.5 152 156 A Q H X S+ 0 0 121 -4,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.925 111.1 44.6 -59.5 -44.4 -10.1 78.7 9.3 153 157 A R H X S+ 0 0 157 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.957 111.7 49.7 -63.5 -54.0 -8.2 81.1 11.5 154 158 A A H X S+ 0 0 7 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.899 114.7 47.5 -53.2 -40.6 -6.2 78.5 13.4 155 159 A K H X S+ 0 0 58 -4,-2.7 4,-2.2 -5,-0.2 5,-0.3 0.941 109.8 51.5 -66.3 -46.9 -5.4 77.0 10.0 156 160 A A H X>S+ 0 0 23 -4,-2.8 4,-2.1 1,-0.2 5,-1.7 0.839 107.8 53.3 -58.2 -37.9 -4.4 80.4 8.6 157 161 A Y H <>S+ 0 0 24 -4,-2.7 5,-2.6 3,-0.2 -1,-0.2 0.937 112.2 44.0 -62.8 -48.1 -2.1 81.1 11.5 158 162 A L H <5S+ 0 0 6 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.813 125.1 31.6 -68.7 -32.6 -0.2 77.8 11.0 159 163 A E H <5S+ 0 0 73 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.588 136.4 12.3-103.6 -12.4 0.1 78.0 7.2 160 164 A E T X5S+ 0 0 132 -4,-2.1 4,-2.1 -5,-0.3 -3,-0.2 0.648 122.1 41.0-126.6 -66.3 0.3 81.7 6.7 161 165 A E H > S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.874 112.2 54.2 -61.3 -33.0 5.7 81.2 8.5 164 168 A A H X S+ 0 0 57 -4,-2.1 4,-2.3 -3,-0.3 -2,-0.2 0.934 109.8 47.5 -62.6 -46.8 5.4 84.8 7.4 165 169 A T H X S+ 0 0 39 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.920 110.8 52.7 -60.3 -43.8 6.6 85.9 10.8 166 170 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.3 -2,-0.2 0.888 108.4 49.1 -61.1 -40.2 9.4 83.3 10.5 167 171 A R H X S+ 0 0 75 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.934 111.5 49.5 -65.1 -43.5 10.6 84.7 7.2 168 172 A K H >X S+ 0 0 88 -4,-2.3 4,-1.6 1,-0.2 3,-0.7 0.959 110.3 50.3 -57.8 -52.9 10.6 88.2 8.4 169 173 A Y H 3X S+ 0 0 5 -4,-2.7 4,-1.0 1,-0.3 -1,-0.2 0.839 105.3 57.5 -55.6 -36.3 12.6 87.2 11.5 170 174 A L H 3< S+ 0 0 30 -4,-1.9 4,-0.5 2,-0.2 3,-0.3 0.880 101.1 56.8 -65.2 -35.4 15.1 85.5 9.3 171 175 A K H X< S+ 0 0 153 -4,-1.6 3,-0.9 -3,-0.7 -2,-0.2 0.976 114.6 37.2 -58.4 -53.2 15.7 88.7 7.4 172 176 A Y H 3< S+ 0 0 101 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.542 117.1 54.8 -75.6 -6.5 16.7 90.5 10.6 173 177 A S T >X + 0 0 0 -4,-1.0 4,-2.9 -3,-0.3 3,-1.6 0.260 68.0 106.0-114.1 14.4 18.4 87.5 12.1 174 178 A K H <> S+ 0 0 127 -3,-0.9 4,-1.8 -4,-0.5 -1,-0.1 0.933 79.2 56.6 -56.0 -49.9 21.0 86.5 9.5 175 179 A N H 34 S+ 0 0 146 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.276 119.1 36.3 -67.1 14.3 23.9 87.9 11.5 176 180 A I H X4 S+ 0 0 7 -3,-1.6 3,-0.6 3,-0.1 -2,-0.2 0.594 120.5 34.2-129.8 -58.0 22.7 85.5 14.2 177 181 A L H 3< S+ 0 0 12 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.1 0.672 120.5 48.7 -80.4 -16.2 21.4 82.2 12.9 178 182 A D T 3< S+ 0 0 75 -4,-1.8 -1,-0.2 -5,-0.4 -3,-0.1 0.245 83.5 129.6-108.4 14.3 23.8 82.0 10.0 179 183 A R < - 0 0 23 -3,-0.6 -3,-0.1 -5,-0.1 -4,-0.0 -0.201 40.7-167.3 -68.0 157.3 27.0 82.7 11.9 180 184 A Q + 0 0 87 82,-0.1 -1,-0.1 2,-0.0 -3,-0.0 -0.312 17.9 175.9-139.5 47.5 30.1 80.6 11.8 181 185 A D - 0 0 54 26,-0.1 26,-1.8 1,-0.1 81,-0.1 -0.420 28.5-131.6 -59.7 108.3 32.0 82.1 14.7 182 186 A P - 0 0 74 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.282 25.3-101.0 -65.0 150.4 35.2 80.0 15.0 183 187 A P - 0 0 9 0, 0.0 2,-0.7 0, 0.0 22,-0.2 -0.418 18.5-144.7 -74.0 143.3 36.2 78.6 18.4 184 188 A S E -H 204 0B 49 20,-2.7 20,-2.2 -2,-0.1 2,-0.2 -0.948 25.7-158.9-104.1 114.0 38.8 80.2 20.6 185 189 A V E -H 203 0B 26 -2,-0.7 2,-0.3 18,-0.2 18,-0.2 -0.614 11.6-172.0 -94.8 162.6 40.5 77.2 22.3 186 190 A V E -H 202 0B 59 16,-0.5 16,-1.6 -2,-0.2 2,-0.4 -0.860 9.5-154.4-156.4 114.0 42.5 77.4 25.5 187 191 A V E +H 201 0B 29 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.744 24.4 162.8 -92.7 138.4 44.6 74.7 27.1 188 192 A T E -H 200 0B 71 12,-1.7 12,-3.6 -2,-0.4 2,-0.3 -0.984 20.7-148.6-152.3 153.6 45.2 74.8 30.8 189 193 A S E -H 199 0B 46 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.948 6.4-168.9-130.8 150.7 46.3 72.4 33.6 190 194 A H E -H 198 0B 140 8,-2.1 8,-2.3 -2,-0.3 2,-0.6 -1.000 10.9-151.1-140.0 139.7 45.6 71.9 37.3 191 195 A Q E -H 197 0B 101 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.898 11.5-153.0-114.6 103.7 47.2 69.7 39.9 192 196 A A > - 0 0 19 4,-0.7 3,-1.9 -2,-0.6 2,-0.7 -0.581 37.4 -99.7 -74.9 131.1 45.0 68.6 42.7 193 197 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.309 110.6 7.6 -54.3 97.5 47.1 67.9 45.9 194 198 A G T 3 S+ 0 0 85 -2,-0.7 2,-0.1 1,-0.5 -2,-0.0 0.015 114.3 87.4 119.1 -27.7 47.4 64.1 45.8 195 199 A E S < S- 0 0 109 -3,-1.9 -1,-0.5 1,-0.2 3,-0.1 -0.343 85.1 -85.3 -95.9 179.2 45.9 63.4 42.4 196 200 A K - 0 0 105 1,-0.1 -4,-0.7 -2,-0.1 2,-0.2 -0.292 53.6 -91.3 -76.5 168.8 47.5 63.3 38.9 197 201 A K E -HI 191 246B 65 49,-1.0 49,-4.0 -6,-0.2 2,-0.4 -0.612 44.7-150.3 -80.5 144.2 47.9 66.4 36.9 198 202 A K E -HI 190 245B 57 -8,-2.3 -8,-2.1 47,-0.3 2,-0.5 -0.958 4.4-147.1-123.5 138.2 44.9 67.1 34.6 199 203 A L E -HI 189 244B 0 45,-3.3 45,-2.0 -2,-0.4 2,-0.5 -0.881 11.5-165.6-105.9 128.9 44.7 68.9 31.2 200 204 A K E -HI 188 243B 78 -12,-3.6 -12,-1.7 -2,-0.5 2,-0.5 -0.945 4.0-162.9-120.6 119.0 41.7 70.8 30.2 201 205 A a E -HI 187 242B 0 41,-2.3 41,-1.4 -2,-0.5 2,-0.5 -0.829 10.9-166.1 -96.7 129.7 41.0 72.0 26.6 202 206 A L E -HI 186 241B 29 -16,-1.6 -16,-0.5 -2,-0.5 2,-0.5 -0.912 10.8-171.5-126.8 111.8 38.4 74.7 26.2 203 207 A A E +HI 185 240B 0 37,-2.7 37,-2.4 -2,-0.5 2,-0.3 -0.834 25.4 166.1 -95.4 126.5 36.8 75.8 23.0 204 208 A Y E +H 184 0B 70 -20,-2.2 -20,-2.7 -2,-0.5 35,-0.2 -0.889 41.6 32.5-139.9 171.5 34.6 79.0 23.4 205 209 A D E S+ 0 0 63 -2,-0.3 2,-0.2 1,-0.2 34,-0.1 0.605 83.8 134.7 60.1 17.1 32.8 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