==== 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 1T7Y . 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) . 15734.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 73.6 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 . 96 35.2 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 . 19 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 20.5 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 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 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 . 0 2 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 0 157 0, 0.0 2,-0.1 0, 0.0 101,-0.0 0.000 360.0 360.0 360.0 178.9 18.2 77.9 2.4 2 6 A G - 0 0 26 100,-0.1 101,-1.4 1,-0.1 102,-0.4 -0.448 360.0 -61.7-123.2-163.5 18.1 76.0 5.6 3 7 A R E +A 102 0A 128 99,-0.2 2,-0.3 -2,-0.1 99,-0.2 -0.711 47.4 171.1 -89.3 132.3 15.8 74.9 8.5 4 8 A Y E -A 101 0A 32 97,-2.4 97,-2.2 -2,-0.4 2,-0.4 -0.992 8.3-170.1-140.4 144.0 14.2 77.6 10.7 5 9 A S E -A 100 0A 35 -2,-0.3 25,-1.9 95,-0.2 2,-0.6 -0.995 13.9-157.3-143.5 134.8 11.5 77.2 13.4 6 10 A L E +AB 99 29A 0 93,-2.3 93,-1.6 -2,-0.4 2,-0.4 -0.948 23.6 178.9-110.0 118.8 9.4 79.6 15.4 7 11 A T E -AB 98 28A 21 21,-2.3 21,-2.6 -2,-0.6 2,-0.3 -0.975 12.3-168.7-127.8 138.4 8.1 78.1 18.7 8 12 A Y E -AB 97 27A 17 89,-2.4 89,-1.9 -2,-0.4 2,-0.4 -0.929 3.8-166.0-121.2 145.5 6.0 79.5 21.5 9 13 A I E -AB 96 26A 58 17,-2.3 17,-1.3 -2,-0.3 2,-0.4 -0.986 0.8-165.7-138.9 127.9 5.4 78.0 24.9 10 14 A Y E -AB 95 25A 5 85,-2.6 85,-2.3 -2,-0.4 2,-0.5 -0.935 2.5-171.5-114.4 132.3 2.7 78.9 27.5 11 15 A T E +AB 94 24A 35 13,-2.6 13,-1.8 -2,-0.4 2,-0.4 -0.978 6.4 179.1-125.8 121.4 2.7 77.8 31.1 12 16 A G E -AB 93 23A 0 81,-2.7 81,-2.3 -2,-0.5 2,-0.4 -0.973 11.4-159.6-125.1 138.7 -0.2 78.5 33.4 13 17 A L E > -A 92 0A 40 9,-2.5 3,-0.6 -2,-0.4 79,-0.2 -0.964 11.6-152.6-117.7 129.8 -0.7 77.5 37.0 14 18 A S T 3 S+ 0 0 42 77,-3.3 2,-0.2 -2,-0.4 -1,-0.1 0.814 96.0 21.7 -69.2 -30.6 -4.1 77.4 38.7 15 19 A K T 3 S- 0 0 91 76,-0.4 -1,-0.3 7,-0.1 2,-0.1 -0.601 84.0-164.5-138.0 74.9 -2.7 78.1 42.2 16 20 A H < - 0 0 92 -3,-0.6 6,-0.1 -2,-0.2 3,-0.1 -0.357 12.0-135.8 -67.4 136.5 0.7 79.9 41.9 17 21 A V > - 0 0 98 1,-0.2 3,-1.5 4,-0.1 -1,-0.1 -0.332 46.5 -62.2 -81.8 168.9 2.9 80.1 44.9 18 22 A E T 3 S+ 0 0 164 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 -0.265 120.4 13.6 -57.6 133.5 4.7 83.2 45.9 19 23 A D T 3 S+ 0 0 157 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.537 101.7 100.1 79.0 9.2 7.3 84.5 43.4 20 24 A V S < S- 0 0 55 -3,-1.5 -1,-0.1 20,-0.0 0, 0.0 -0.976 73.7-125.6-127.2 114.1 6.2 82.4 40.5 21 25 A P - 0 0 23 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.225 9.8-133.0 -56.5 146.0 3.9 84.1 37.9 22 26 A A S S+ 0 0 17 1,-0.2 -9,-2.5 -6,-0.1 2,-0.4 0.805 93.4 32.9 -70.3 -29.5 0.6 82.4 37.1 23 27 A F E +B 12 0A 0 -11,-0.2 16,-2.4 2,-0.0 2,-0.4 -0.988 66.6 176.4-131.4 137.1 1.3 82.7 33.4 24 28 A Q E -BC 11 38A 79 -13,-1.8 -13,-2.6 -2,-0.4 2,-0.3 -0.999 4.4-173.2-142.4 137.9 4.5 82.7 31.4 25 29 A A E +BC 10 37A 5 12,-3.5 12,-2.1 -2,-0.4 2,-0.3 -0.951 7.1 170.5-130.0 148.7 5.2 82.8 27.7 26 30 A L E -BC 9 36A 53 -17,-1.3 -17,-2.3 -2,-0.3 2,-0.3 -0.976 11.8-159.0-152.3 160.4 8.4 82.4 25.8 27 31 A G E -BC 8 35A 0 8,-1.3 7,-2.0 -2,-0.3 8,-1.2 -0.998 5.8-167.7-145.1 147.7 9.4 82.1 22.2 28 32 A S E -BC 7 33A 26 -21,-2.6 -21,-2.3 -2,-0.3 2,-0.5 -0.963 19.2-149.9-139.4 155.1 12.4 80.8 20.3 29 33 A L E > S-BC 6 32A 0 3,-2.4 3,-2.4 -2,-0.3 -23,-0.2 -0.993 76.0 -51.2-120.0 114.6 14.0 80.8 16.9 30 34 A N T 3 S- 0 0 54 -25,-1.9 -23,-0.1 -2,-0.5 -26,-0.1 -0.273 125.9 -11.7 54.4-125.9 15.9 77.5 16.4 31 35 A D T 3 S+ 0 0 57 -3,-0.1 2,-0.4 146,-0.1 -1,-0.3 0.356 122.7 80.3 -86.8 6.8 18.2 77.1 19.4 32 36 A L E < S-C 29 0A 3 -3,-2.4 -3,-2.4 204,-0.0 2,-0.5 -0.892 71.3-131.9-120.1 146.6 17.8 80.6 20.8 33 37 A Q E +C 28 0A 53 -2,-0.4 -5,-0.3 -5,-0.2 17,-0.2 -0.833 21.8 179.9 -94.2 126.3 15.1 82.3 22.9 34 38 A F E + 0 0 2 -7,-2.0 13,-1.7 -2,-0.5 2,-0.3 0.604 57.6 4.9-102.8 -14.5 14.0 85.7 21.5 35 39 A F E -CD 27 46A 0 -8,-1.2 -8,-1.3 11,-0.3 2,-0.3 -0.969 51.7-163.4-158.8 175.3 11.4 86.9 23.9 36 40 A R E -CD 26 45A 116 9,-1.1 9,-2.5 -2,-0.3 2,-0.3 -0.985 4.2-179.5-161.9 158.2 9.5 86.4 27.1 37 41 A Y E -C 25 0A 3 -12,-2.1 -12,-3.5 -2,-0.3 2,-0.3 -0.956 5.2-176.9-160.9 140.3 6.4 87.5 29.0 38 42 A N E > -C 24 0A 27 -2,-0.3 4,-2.3 5,-0.3 5,-0.3 -0.948 39.7-109.1-140.5 163.4 4.8 86.7 32.4 39 43 A S T 4 S+ 0 0 20 -16,-2.4 -15,-0.1 -2,-0.3 -1,-0.0 0.489 110.9 59.0 -70.1 -5.2 1.7 87.7 34.3 40 44 A K T 4 S+ 0 0 165 -17,-0.3 -1,-0.2 3,-0.1 -16,-0.0 0.932 120.3 20.1 -87.9 -59.2 3.6 89.8 36.8 41 45 A D T 4 S- 0 0 82 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.800 86.4-153.8 -79.4 -30.1 5.3 92.4 34.5 42 46 A R < + 0 0 81 -4,-2.3 2,-0.4 1,-0.2 25,-0.2 0.840 51.3 123.7 58.2 35.4 2.8 91.8 31.7 43 47 A K - 0 0 90 -5,-0.3 2,-0.6 23,-0.1 -5,-0.3 -0.990 60.7-135.8-131.3 129.5 5.4 93.0 29.1 44 48 A S - 0 0 5 15,-0.5 -7,-0.2 -2,-0.4 19,-0.2 -0.732 32.8-174.0 -81.8 121.4 6.8 91.1 26.1 45 49 A Q E -D 36 0A 68 -9,-2.5 -9,-1.1 -2,-0.6 6,-0.1 -0.956 22.9-125.1-123.9 135.9 10.5 91.7 26.1 46 50 A P E -D 35 0A 30 0, 0.0 -11,-0.3 0, 0.0 2,-0.3 -0.354 32.1-161.7 -70.3 157.6 13.1 90.7 23.6 47 51 A M > + 0 0 35 -13,-1.7 3,-2.0 -14,-0.1 4,-0.2 -0.820 43.5 4.6-134.8 173.9 16.0 88.6 24.9 48 52 A G G > S- 0 0 4 1,-0.3 3,-2.0 -2,-0.3 186,-0.2 -0.077 129.2 -14.0 48.7-148.1 19.5 87.7 23.9 49 53 A L G > S+ 0 0 37 184,-0.6 3,-1.0 1,-0.3 4,-0.3 0.575 126.9 76.9 -59.7 -10.3 20.9 89.3 20.7 50 54 A W G X S+ 0 0 5 -3,-2.0 3,-0.5 1,-0.2 -1,-0.3 0.624 73.0 78.9 -77.8 -11.6 17.3 90.4 19.9 51 55 A R G < S+ 0 0 160 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.632 100.1 42.4 -68.9 -13.0 17.5 93.2 22.5 52 56 A Q G < S+ 0 0 152 -3,-1.0 2,-0.5 -5,-0.2 -1,-0.2 0.503 89.6 101.7-109.6 -9.7 19.5 95.1 19.9 53 57 A V < - 0 0 34 -3,-0.5 2,-0.4 -4,-0.3 3,-0.3 -0.660 59.2-156.2 -80.7 125.7 17.4 94.3 16.8 54 58 A E + 0 0 172 -2,-0.5 -2,-0.0 1,-0.2 -3,-0.0 -0.858 62.5 12.5-110.4 138.0 15.2 97.2 15.8 55 59 A G S S+ 0 0 55 -2,-0.4 -1,-0.2 2,-0.3 3,-0.1 0.679 86.9 108.1 80.9 19.8 11.9 97.1 13.8 56 60 A M S S+ 0 0 5 1,-0.4 2,-0.3 -3,-0.3 -2,-0.1 0.729 91.1 0.3 -95.1 -27.0 11.3 93.4 13.9 57 61 A E - 0 0 51 112,-0.0 2,-1.0 4,-0.0 -1,-0.4 -0.973 64.3-123.2-161.4 143.8 8.4 93.6 16.3 58 62 A D > - 0 0 97 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.806 28.0-171.1 -88.7 103.6 6.5 96.3 18.2 59 63 A W H > S+ 0 0 47 -2,-1.0 4,-1.2 1,-0.2 -15,-0.5 0.785 81.0 60.0 -70.7 -23.5 7.0 94.9 21.7 60 64 A K H > S+ 0 0 172 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.886 110.9 40.7 -70.5 -35.0 4.5 97.4 23.2 61 65 A Q H >> S+ 0 0 119 2,-0.2 4,-2.2 1,-0.2 3,-1.1 0.932 109.5 57.2 -77.1 -44.6 1.8 95.9 21.0 62 66 A D H 3X S+ 0 0 15 -4,-2.4 4,-2.8 1,-0.3 -1,-0.2 0.792 101.5 60.8 -55.2 -26.7 2.9 92.3 21.5 63 67 A S H 3X S+ 0 0 4 -4,-1.2 4,-2.4 2,-0.2 -1,-0.3 0.897 104.1 47.0 -67.8 -38.6 2.4 93.1 25.1 64 68 A Q H S+ 0 0 7 -4,-2.0 5,-1.4 1,-0.2 4,-0.6 0.896 111.6 54.5 -56.5 -40.2 -10.2 72.6 37.0 82 86 A E H ><5S+ 0 0 108 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.947 105.8 52.9 -56.9 -50.2 -13.9 73.5 37.3 83 87 A Y H 3<5S+ 0 0 114 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.879 111.6 44.3 -55.3 -42.3 -14.8 70.4 35.3 84 88 A Y H 3<5S- 0 0 82 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.474 104.6-132.4 -84.6 2.1 -12.8 68.2 37.7 85 89 A K T <<5S+ 0 0 192 -3,-1.6 -3,-0.2 -4,-0.6 -2,-0.1 0.947 71.2 114.4 47.7 60.0 -14.3 70.0 40.7 86 90 A D > < + 0 0 61 -5,-1.4 3,-1.0 3,-0.1 -1,-0.1 -0.266 15.2 143.6-156.9 60.4 -10.9 70.4 42.4 87 91 A S T 3 + 0 0 74 1,-0.2 -5,-0.1 -5,-0.1 4,-0.1 0.377 65.0 79.1 -83.1 5.2 -9.7 74.0 42.7 88 92 A T T 3 S+ 0 0 121 2,-0.1 -1,-0.2 -3,-0.0 2,-0.1 0.688 88.5 69.3 -82.9 -19.7 -8.1 73.2 46.0 89 93 A G S < S- 0 0 19 -3,-1.0 2,-0.7 -8,-0.1 -3,-0.1 -0.437 89.0-108.6 -96.2 170.5 -5.2 71.7 44.2 90 94 A S + 0 0 76 -2,-0.1 2,-0.3 -76,-0.1 -2,-0.1 -0.877 42.3 175.6-103.4 112.2 -2.4 73.2 42.1 91 95 A H - 0 0 18 -2,-0.7 -77,-3.3 -4,-0.1 2,-0.4 -0.815 15.4-148.2-117.5 157.5 -2.7 72.4 38.4 92 96 A V E -A 13 0A 28 -2,-0.3 24,-3.0 -79,-0.2 2,-0.4 -0.955 7.1-165.7-129.3 144.7 -0.8 73.4 35.2 93 97 A L E -AE 12 115A 0 -81,-2.3 -81,-2.7 -2,-0.4 2,-0.4 -0.998 12.7-175.7-125.6 121.3 -1.7 73.9 31.6 94 98 A Q E -AE 11 114A 73 20,-2.5 20,-3.5 -2,-0.4 2,-0.4 -0.972 3.1-169.5-121.0 135.2 1.2 74.1 29.1 95 99 A G E -AE 10 113A 2 -85,-2.3 -85,-2.6 -2,-0.4 2,-0.4 -0.955 4.3-165.8-127.2 148.2 0.6 74.9 25.5 96 100 A R E +AE 9 112A 93 16,-3.1 16,-2.8 -2,-0.4 2,-0.3 -0.997 16.5 156.3-136.0 131.5 3.0 74.7 22.6 97 101 A F E +AE 8 111A 10 -89,-1.9 -89,-2.4 -2,-0.4 2,-0.3 -0.981 12.7 107.0-157.6 145.2 2.6 76.2 19.1 98 102 A G E -AE 7 110A 0 12,-1.5 12,-2.1 -2,-0.3 2,-0.3 -0.978 40.5-118.6 171.9-174.2 4.7 77.3 16.2 99 103 A C E -AE 6 109A 1 -93,-1.6 -93,-2.3 -2,-0.3 2,-0.3 -0.848 12.3-146.1-142.9 178.8 5.8 76.5 12.7 100 104 A E E -AE 5 108A 40 8,-2.1 7,-2.7 -2,-0.3 8,-0.6 -0.992 5.2-163.3-153.6 145.1 8.9 75.7 10.6 101 105 A I E -AE 4 106A 4 -97,-2.2 -97,-2.4 -2,-0.3 2,-0.4 -0.922 1.9-167.7-129.0 154.9 10.2 76.3 7.1 102 106 A E E > S+AE 3 105A 82 3,-3.0 3,-1.1 -2,-0.3 -99,-0.2 -0.955 80.5 0.9-144.9 119.0 13.0 74.8 5.1 103 107 A N T 3 S- 0 0 87 -101,-1.4 -1,-0.1 -2,-0.4 -100,-0.1 0.930 129.9 -62.1 66.9 45.2 14.2 76.4 1.9 104 108 A N T 3 S+ 0 0 89 -102,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.447 117.3 117.6 58.5 2.0 11.7 79.2 2.3 105 109 A R E < S-E 102 0A 188 -3,-1.1 -3,-3.0 1,-0.0 2,-0.3 -0.816 77.8-108.9 -99.5 133.7 9.0 76.4 2.1 106 110 A S E +E 101 0A 69 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.442 38.4 179.0 -61.2 121.0 6.7 75.7 5.1 107 111 A S E - 0 0 44 -7,-2.7 2,-0.2 -2,-0.3 -6,-0.2 0.125 53.7 -26.6-112.9 19.6 7.9 72.4 6.4 108 112 A G E -E 100 0A 31 -8,-0.6 -8,-2.1 50,-0.1 -1,-0.3 -0.749 47.1-160.0 151.1 162.0 5.6 71.8 9.4 109 113 A A E -E 99 0A 31 -10,-0.3 2,-0.3 -2,-0.2 -10,-0.2 -0.974 8.3-172.8-164.6 157.9 3.4 73.2 12.1 110 114 A F E -E 98 0A 40 -12,-2.1 -12,-1.5 -2,-0.3 2,-0.2 -0.978 14.0-175.2-154.5 164.7 1.9 72.2 15.5 111 115 A W E +E 97 0A 42 -2,-0.3 12,-2.3 12,-0.2 2,-0.3 -0.687 25.6 156.5-165.8 102.3 -0.5 73.3 18.3 112 116 A K E -EF 96 122A 36 -16,-2.8 -16,-3.1 10,-0.2 2,-0.4 -0.981 24.2-154.0-139.5 150.8 -0.8 71.2 21.4 113 117 A Y E -EF 95 121A 23 8,-2.9 7,-3.3 -2,-0.3 8,-1.0 -0.941 5.4-160.5-123.9 143.6 -1.9 71.5 25.1 114 118 A Y E -EF 94 119A 58 -20,-3.5 -20,-2.5 -2,-0.4 2,-0.5 -0.973 2.9-159.1-124.3 136.4 -0.9 69.5 28.1 115 119 A Y E > S-EF 93 118A 17 3,-3.0 3,-2.5 -2,-0.4 -22,-0.2 -0.966 78.6 -20.3-118.2 124.1 -2.8 69.4 31.4 116 120 A D T 3 S- 0 0 49 -24,-3.0 -1,-0.2 -2,-0.5 -23,-0.1 0.842 130.0 -52.5 48.3 36.4 -1.0 68.3 34.5 117 121 A G T 3 S+ 0 0 53 -25,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.114 117.6 107.5 91.9 -22.5 1.6 66.7 32.2 118 122 A K E < S-F 115 0A 139 -3,-2.5 -3,-3.0 1,-0.1 -1,-0.3 -0.588 82.9 -89.5 -92.7 152.9 -0.9 64.7 30.1 119 123 A D E +F 114 0A 72 -5,-0.2 -5,-0.2 -2,-0.2 -1,-0.1 -0.371 48.0 172.9 -58.5 125.7 -2.0 65.3 26.5 120 124 A Y E - 0 0 2 -7,-3.3 13,-2.4 1,-0.4 14,-1.5 0.873 54.1 -29.4-101.1 -59.4 -5.0 67.6 26.6 121 125 A I E -FG 113 132A 0 -8,-1.0 -8,-2.9 11,-0.2 -1,-0.4 -0.979 52.9-171.8-159.8 150.6 -6.0 68.8 23.2 122 126 A E E -FG 112 131A 63 9,-1.8 9,-3.3 -2,-0.3 2,-0.5 -0.982 23.9-116.4-146.6 157.5 -4.2 69.4 19.8 123 127 A F E - G 0 130A 15 -12,-2.3 2,-0.7 -2,-0.3 -12,-0.2 -0.826 13.6-161.3-101.6 132.9 -5.2 71.0 16.5 124 128 A N E > > - G 0 129A 59 5,-2.9 5,-1.8 -2,-0.5 3,-1.2 -0.869 3.8-168.6-111.0 96.6 -5.2 69.0 13.2 125 129 A K T 3 5S+ 0 0 74 -2,-0.7 -1,-0.1 1,-0.2 5,-0.1 0.644 79.2 68.8 -62.0 -13.2 -5.1 71.6 10.4 126 130 A E T 3 5S+ 0 0 169 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.872 114.1 23.3 -74.0 -36.0 -5.8 68.9 7.8 127 131 A I T < 5S- 0 0 116 -3,-1.2 -2,-0.2 2,-0.2 -1,-0.1 0.940 110.5-126.5 -63.1 -56.3 -9.4 68.3 9.0 128 132 A P T 5 + 0 0 41 0, 0.0 2,-0.3 0, 0.0 -3,-0.2 0.548 63.8 93.7-103.6 133.8 -9.4 71.1 10.2 129 133 A A E < -G 124 0A 14 -5,-1.8 -5,-2.9 22,-0.1 2,-0.2 -0.995 69.5 -84.7-169.2 169.3 -10.4 70.7 13.8 130 134 A W E -G 123 0A 11 -2,-0.3 -7,-0.2 -7,-0.2 21,-0.0 -0.600 33.4-147.0 -85.3 146.2 -9.4 70.2 17.4 131 135 A V E -G 122 0A 41 -9,-3.3 -9,-1.8 -2,-0.2 2,-0.3 -0.968 11.8-146.7-114.6 119.9 -8.7 66.7 18.7 132 136 A P E +G 121 0A 46 0, 0.0 -11,-0.2 0, 0.0 -12,-0.1 -0.723 25.3 168.0 -90.5 139.7 -9.6 66.0 22.3 133 137 A F + 0 0 91 -13,-2.4 -12,-0.2 -2,-0.3 -13,-0.1 0.644 68.3 52.5-114.4 -32.5 -7.6 63.6 24.4 134 138 A D S > S- 0 0 29 -14,-1.5 3,-1.8 1,-0.1 4,-0.4 -0.837 87.2-121.4-105.8 141.9 -8.9 64.4 27.9 135 139 A P T >> S+ 0 0 63 0, 0.0 3,-2.4 0, 0.0 4,-0.6 0.896 115.0 56.3 -51.2 -41.3 -12.6 64.3 28.6 136 140 A A H >> S+ 0 0 2 1,-0.3 4,-1.6 2,-0.2 3,-0.6 0.774 95.8 69.3 -61.2 -22.4 -12.6 67.9 29.8 137 141 A A H <> S+ 0 0 0 -3,-1.8 4,-2.4 1,-0.2 -1,-0.3 0.631 85.5 67.4 -69.9 -14.0 -11.1 68.6 26.3 138 142 A Q H <> S+ 0 0 122 -3,-2.4 4,-1.8 -4,-0.4 -1,-0.2 0.908 102.7 45.0 -71.8 -37.7 -14.5 67.7 24.8 139 143 A I H < S+ 0 0 136 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.906 111.7 42.6 -56.2 -43.8 -16.9 72.6 21.8 143 147 A K H >< S+ 0 0 107 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.922 111.4 52.1 -69.8 -46.8 -16.1 76.2 22.8 144 148 A W H 3< S+ 0 0 50 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.428 118.2 40.4 -71.4 1.2 -13.2 76.7 20.4 145 149 A E T << S+ 0 0 48 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.081 73.1 117.3-134.4 21.4 -15.5 75.5 17.6 146 150 A A S < S+ 0 0 64 -3,-1.5 -2,-0.1 -5,-0.1 -3,-0.1 0.706 81.8 40.4 -65.3 -18.8 -18.7 77.2 18.5 147 151 A E S >> S- 0 0 105 -4,-0.2 3,-1.0 1,-0.1 4,-0.5 -0.977 84.8-123.7-130.0 144.4 -18.5 79.2 15.2 148 152 A P H 3> S+ 0 0 103 0, 0.0 4,-1.1 0, 0.0 3,-0.4 0.857 107.5 60.6 -54.0 -39.0 -17.4 78.0 11.8 149 153 A V H 3> S+ 0 0 56 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.818 88.0 75.6 -60.9 -31.8 -14.7 80.8 11.5 150 154 A Y H <> S+ 0 0 85 -3,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.895 99.4 37.9 -50.1 -54.4 -12.8 79.5 14.6 151 155 A V H X S+ 0 0 24 -4,-0.5 4,-3.0 -3,-0.4 5,-0.2 0.898 113.9 58.2 -66.9 -35.8 -11.2 76.4 13.0 152 156 A Q H X S+ 0 0 122 -4,-1.1 4,-2.4 1,-0.2 -2,-0.2 0.918 108.8 46.1 -56.8 -43.9 -10.6 78.4 9.8 153 157 A R H X S+ 0 0 157 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.927 111.4 50.1 -63.5 -47.9 -8.7 81.0 11.8 154 158 A A H X S+ 0 0 6 -4,-2.2 4,-1.7 1,-0.2 5,-0.2 0.903 113.0 47.6 -59.2 -40.6 -6.6 78.3 13.7 155 159 A K H X S+ 0 0 63 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.922 111.6 51.3 -66.1 -40.0 -5.9 76.7 10.4 156 160 A A H X>S+ 0 0 20 -4,-2.4 4,-2.4 -5,-0.2 5,-1.6 0.832 106.0 55.8 -65.1 -33.5 -4.9 80.2 9.0 157 161 A Y H <>S+ 0 0 24 -4,-2.6 5,-3.2 3,-0.2 -1,-0.2 0.947 113.6 37.4 -66.4 -48.1 -2.6 80.9 11.9 158 162 A L H <5S+ 0 0 7 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.843 125.2 40.2 -73.5 -32.7 -0.5 77.8 11.4 159 163 A E H <5S+ 0 0 77 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.749 134.6 4.8 -89.9 -23.1 -0.6 77.9 7.7 160 164 A E T X5S+ 0 0 127 -4,-2.4 4,-1.6 -5,-0.2 -3,-0.2 0.682 125.2 41.8-123.9 -66.8 -0.2 81.7 7.0 161 165 A E H > S+ 0 0 4 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.779 114.5 53.2 -59.2 -20.3 5.0 81.0 8.8 164 168 A A H X S+ 0 0 50 -4,-1.6 4,-2.8 -3,-0.4 -2,-0.2 0.942 107.0 49.0 -75.7 -49.1 4.7 84.7 7.9 165 169 A T H X S+ 0 0 39 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.921 110.2 53.2 -55.0 -45.3 5.9 85.9 11.2 166 170 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.892 109.3 47.9 -59.1 -41.0 8.8 83.5 10.9 167 171 A R H X S+ 0 0 83 -4,-1.4 4,-1.4 -5,-0.2 -2,-0.2 0.951 110.4 51.4 -64.9 -48.5 9.8 84.9 7.5 168 172 A K H >X S+ 0 0 90 -4,-2.8 4,-0.8 1,-0.2 3,-0.6 0.929 111.6 48.7 -51.6 -49.0 9.6 88.5 8.8 169 173 A Y H >X S+ 0 0 3 -4,-2.6 3,-1.0 1,-0.2 4,-0.9 0.881 103.4 58.0 -61.7 -42.8 11.9 87.6 11.7 170 174 A L H 3X S+ 0 0 28 -4,-2.2 4,-0.5 1,-0.3 3,-0.4 0.836 98.8 62.6 -59.2 -28.6 14.5 85.8 9.6 171 175 A K H << S+ 0 0 163 -4,-1.4 3,-0.3 -3,-0.6 -1,-0.3 0.859 112.9 34.4 -63.2 -35.5 14.9 89.0 7.7 172 176 A Y H << S+ 0 0 99 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.417 115.8 58.9 -97.1 -1.9 16.1 90.7 10.8 173 177 A S H >X> + 0 0 1 -4,-0.9 4,-3.0 -3,-0.4 3,-2.2 0.300 66.2 103.4-112.1 8.7 17.9 87.7 12.2 174 178 A K H 3X5S+ 0 0 132 -4,-0.5 4,-1.3 1,-0.3 -1,-0.1 0.952 84.1 53.3 -53.7 -48.9 20.4 86.9 9.5 175 179 A N H 345S+ 0 0 148 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.252 120.8 34.1 -71.6 15.9 23.0 88.5 11.7 176 180 A I H <45S+ 0 0 7 -3,-2.2 3,-0.4 -6,-0.1 -2,-0.2 0.593 122.5 32.2-132.6 -54.8 21.9 86.1 14.5 177 181 A L H <5S+ 0 0 11 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.1 0.783 120.1 49.5 -81.1 -28.8 20.7 82.7 13.2 178 182 A D S < - 0 0 21 4,-0.8 3,-3.1 -2,-0.6 2,-0.4 -0.703 37.1-102.5 -82.9 126.5 45.0 69.6 42.8 193 197 A P T 3 S+ 0 0 133 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.284 110.8 8.9 -52.0 104.1 47.2 69.0 45.8 194 198 A G T 3 S+ 0 0 88 1,-0.4 2,-0.2 -2,-0.4 -2,-0.0 0.133 115.0 91.6 110.3 -19.5 47.5 65.2 45.8 195 199 A E S < S- 0 0 108 -3,-3.1 -1,-0.4 1,-0.2 3,-0.1 -0.635 84.0 -88.4-105.5 165.6 45.9 64.6 42.4 196 200 A K - 0 0 105 -2,-0.2 -4,-0.8 1,-0.1 2,-0.3 -0.046 55.6 -85.6 -61.2 171.7 47.4 64.3 39.0 197 201 A K E -HI 191 246B 68 49,-1.2 49,-3.0 -6,-0.2 2,-0.5 -0.651 46.4-149.3 -81.1 139.4 47.9 67.5 36.8 198 202 A K E -HI 190 245B 56 -8,-2.8 -8,-3.7 -2,-0.3 2,-0.5 -0.953 8.1-159.0-122.2 125.4 44.8 68.4 34.9 199 203 A L E -HI 189 244B 0 45,-2.3 45,-1.6 -2,-0.5 2,-0.5 -0.853 8.0-164.0-100.8 128.6 44.7 70.1 31.4 200 204 A K E -HI 188 243B 85 -12,-4.5 -12,-1.4 -2,-0.5 2,-0.6 -0.935 4.5-162.1-120.8 115.1 41.5 71.9 30.3 201 205 A a E -HI 187 242B 0 41,-1.8 41,-1.4 -2,-0.5 2,-0.5 -0.815 12.6-167.1 -94.6 119.6 40.8 72.9 26.7 202 206 A L E -HI 186 241B 32 -16,-2.2 -16,-1.8 -2,-0.6 2,-0.4 -0.915 10.5-166.8-115.6 123.2 38.0 75.5 26.4 203 207 A A E +HI 185 240B 0 37,-3.7 37,-2.3 -2,-0.5 2,-0.3 -0.863 26.8 170.8-100.5 133.7 36.3 76.5 23.1 204 208 A Y E +H 184 0B 70 -20,-3.2 -20,-2.7 -2,-0.4 35,-0.2 -0.933 39.5 27.0-146.5 171.0 34.3 79.7 23.4 205 209 A D E S+ 0 0 66 33,-0.3 2,-0.2 -2,-0.3 34,-0.1 0.727 84.2 137.6 55.0 27.3 32.3 82.5 21.8 206 210 A F E - I 0 238B 2 32,-1.5 32,-3.0 -22,-0.1 -1,-0.2 -0.637 40.3-136.7-103.9 162.0 31.3 80.1 18.9 207 211 A Y S S+ 0 0 6 -26,-1.7 -26,-0.5 -2,-0.2 2,-0.2 -0.915 70.7 42.1-164.9 139.2 28.1 79.5 17.0 208 212 A P S S- 0 0 37 0, 0.0 30,-0.1 0, 0.0 54,-0.1 0.522 81.0-125.1 -64.6 176.4 26.4 77.2 15.9 209 213 A G S S+ 0 0 23 -2,-0.2 2,-0.1 28,-0.1 21,-0.1 0.804 78.6 103.9 -67.5 -35.9 26.6 74.7 18.8 210 214 A K + 0 0 178 2,-0.0 51,-0.5 50,-0.0 2,-0.3 -0.300 49.8 148.0 -52.7 119.3 27.9 71.7 16.9 211 215 A I - 0 0 34 49,-0.1 2,-0.5 -2,-0.1 49,-0.2 -0.995 42.2-140.1-156.0 153.3 31.6 71.4 17.7 212 216 A D E +K 259 0C 84 47,-2.4 47,-2.4 -2,-0.3 2,-0.4 -0.978 25.2 171.0-119.6 121.4 34.4 68.8 18.1 213 217 A V E +K 258 0C 16 -2,-0.5 2,-0.3 45,-0.2 45,-0.2 -0.949 9.7 153.2-134.6 112.9 36.9 69.3 20.9 214 218 A H E -K 257 0C 53 43,-1.8 43,-2.4 -2,-0.4 2,-0.1 -0.999 34.8-129.3-145.4 146.2 39.5 66.7 21.9 215 219 A W E -K 256 0C 1 -2,-0.3 7,-1.5 41,-0.2 2,-0.4 -0.447 20.9-152.5 -83.4 160.6 42.9 66.4 23.6 216 220 A T E -KL 255 221C 5 39,-0.9 39,-1.7 5,-0.3 2,-0.8 -0.996 7.2-153.3-139.6 131.4 45.7 64.4 22.0 217 221 A R E > S-KL 254 220C 95 3,-2.8 3,-2.0 -2,-0.4 37,-0.2 -0.902 86.1 -28.8-106.2 104.8 48.7 62.7 23.7 218 222 A A T 3 S- 0 0 58 35,-2.9 -1,-0.2 -2,-0.8 36,-0.1 0.898 128.1 -46.9 54.8 42.7 51.6 62.5 21.3 219 223 A G T 3 S+ 0 0 60 34,-0.3 2,-0.7 1,-0.2 -1,-0.3 0.076 115.4 116.1 90.4 -25.4 49.1 62.4 18.4 220 224 A E E < S-L 217 0C 140 -3,-2.0 -3,-2.8 1,-0.1 -1,-0.2 -0.698 71.7-121.3 -84.1 114.6 46.8 59.8 20.0 221 225 A V E -L 216 0C 91 -2,-0.7 -5,-0.3 -5,-0.2 2,-0.1 -0.328 32.8-142.4 -56.1 122.6 43.4 61.1 20.8 222 226 A Q - 0 0 63 -7,-1.5 -7,-0.2 -2,-0.1 -1,-0.1 -0.407 14.0-110.9 -86.7 162.3 42.8 60.7 24.5 223 227 A E - 0 0 155 -2,-0.1 -1,-0.1 -9,-0.1 -9,-0.0 -0.842 42.8-118.6 -93.3 112.3 39.6 59.8 26.3 224 228 A P - 0 0 22 0, 0.0 20,-0.2 0, 0.0 3,-0.1 -0.173 13.7-152.8 -53.6 142.0 38.5 62.9 28.2 225 229 A E S S+ 0 0 103 18,-3.2 2,-0.2 1,-0.2 19,-0.2 0.932 81.8 6.0 -77.8 -52.9 38.3 62.7 31.9 226 230 A L E +J 243 0B 108 17,-0.7 17,-1.6 2,-0.0 2,-0.3 -0.711 69.7 178.8-123.0 174.9 35.6 65.3 32.2 227 231 A R E +J 242 0B 159 -2,-0.2 2,-0.3 15,-0.2 15,-0.2 -0.875 7.9 150.5-176.5 142.5 33.5 67.3 29.6 228 232 A G E -J 241 0B 17 13,-1.6 13,-2.7 -2,-0.3 2,-0.3 -0.978 11.8-172.9-166.4 173.1 30.8 69.9 29.4 229 233 A D E -J 240 0B 110 -2,-0.3 2,-0.3 11,-0.2 11,-0.3 -0.957 3.4-169.6-162.5 178.6 29.3 72.7 27.4 230 234 A V E -J 239 0B 54 9,-2.4 9,-2.4 -2,-0.3 2,-0.5 -0.988 20.7-127.4-171.9 165.7 26.7 75.5 27.4 231 235 A L E -J 238 0B 50 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.986 13.8-154.6-127.3 119.4 24.8 78.1 25.6 232 236 A H E >> -J 237 0B 78 5,-2.9 4,-2.8 -2,-0.5 5,-1.3 -0.849 10.2-168.9 -92.6 112.6 24.7 81.7 26.8 233 237 A N T 45S+ 0 0 35 -2,-0.8 -184,-0.6 2,-0.2 -1,-0.2 0.838 80.9 61.2 -73.3 -33.2 21.5 82.9 25.4 234 238 A G T 45S+ 0 0 38 -186,-0.2 -1,-0.2 1,-0.2 -183,-0.1 0.814 120.6 29.5 -61.9 -27.5 22.0 86.6 26.2 235 239 A N T 45S- 0 0 89 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