==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 09-APR-09 2KHM . COMPND 2 MOLECULE: FIBROIN-3; . SOURCE 2 ORGANISM_SCIENTIFIC: ARANEUS DIADEMATUS; . AUTHOR F.X.HAGN,L.EISOLDT,J.G.HARDY,C.VENDRELY,M.COLES,T.SCHEIBEL,H . 280 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 61.4 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 7 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 53.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0 1 1 0 0 0 0 0 4 2 0 0 0 2 0 0 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 235 0, 0.0 3,-0.4 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 99.9 95.8 5.0 37.1 2 2 A A + 0 0 59 1,-0.2 6,-0.0 8,-0.1 0, 0.0 -0.052 360.0 117.6-101.0 31.4 98.1 2.1 36.5 3 3 A S S S+ 0 0 94 6,-0.1 3,-0.3 2,-0.1 2,-0.2 0.857 76.1 41.6 -65.4 -35.4 100.9 3.5 38.6 4 4 A M S S+ 0 0 160 -3,-0.4 3,-0.1 1,-0.2 4,-0.1 -0.726 108.9 29.3-112.0 162.5 100.7 0.6 41.0 5 5 A T S S+ 0 0 155 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.838 107.4 84.8 59.6 34.8 100.2 -3.2 40.5 6 6 A G - 0 0 43 -3,-0.3 -1,-0.1 1,-0.1 -4,-0.0 -0.854 67.9-148.0-167.7 127.5 102.0 -2.8 37.1 7 7 A G S S+ 0 0 86 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.1 0.845 87.2 70.2 -64.7 -34.5 105.6 -2.8 36.0 8 8 A Q - 0 0 177 -4,-0.1 2,-0.3 -6,-0.0 0, 0.0 -0.568 66.5-173.8 -86.3 149.4 104.8 -0.4 33.2 9 9 A Q - 0 0 166 -2,-0.2 2,-0.4 -8,-0.0 -6,-0.1 -0.943 13.2-142.9-139.9 160.9 103.8 3.2 33.8 10 10 A M + 0 0 172 -2,-0.3 -8,-0.1 1,-0.1 -7,-0.0 -0.972 35.9 137.8-128.9 142.0 102.6 6.2 31.8 11 11 A G + 0 0 79 -2,-0.4 -1,-0.1 5,-0.0 -2,-0.0 0.098 25.8 129.2-170.3 35.0 103.4 9.9 32.1 12 12 A R S S- 0 0 235 1,-0.0 -2,-0.0 2,-0.0 0, 0.0 0.858 71.2-122.2 -66.0 -35.8 103.9 11.3 28.6 13 13 A G + 0 0 71 1,-0.0 -1,-0.0 0, 0.0 -3,-0.0 0.851 59.7 147.3 92.9 44.5 101.4 14.2 29.3 14 14 A S S S- 0 0 72 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 -0.070 78.4 -94.7-100.3 32.6 98.9 13.5 26.6 15 15 A M S S- 0 0 191 2,-0.0 2,-0.1 0, 0.0 0, 0.0 0.810 73.0 -80.1 59.5 31.1 96.0 14.8 28.7 16 16 A G - 0 0 54 2,-0.0 2,-0.3 1,-0.0 -5,-0.0 -0.331 61.3 -82.0 76.5-161.3 95.3 11.2 29.8 17 17 A A - 0 0 90 2,-0.1 2,-0.4 -2,-0.1 212,-0.0 -0.986 28.9-114.7-144.9 153.4 93.4 8.7 27.6 18 18 A A + 0 0 105 -2,-0.3 2,-0.2 3,-0.0 3,-0.1 -0.763 42.0 153.2 -92.9 130.4 89.7 7.9 26.8 19 19 A S - 0 0 99 -2,-0.4 -2,-0.1 1,-0.2 0, 0.0 -0.786 64.1 -15.7-160.0 111.2 88.4 4.5 27.9 20 20 A A S S+ 0 0 113 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.970 86.3 137.5 57.9 88.2 84.8 3.6 28.7 21 21 A A - 0 0 87 -3,-0.1 2,-0.5 2,-0.1 -1,-0.2 -0.986 44.4-137.4-158.8 153.0 83.0 6.9 29.3 22 22 A V + 0 0 143 -2,-0.3 2,-0.3 7,-0.1 0, 0.0 -0.969 36.6 142.2-120.0 125.5 79.7 8.5 28.4 23 23 A S - 0 0 52 -2,-0.5 2,-0.4 5,-0.1 7,-0.3 -0.987 32.4-147.6-157.6 151.9 79.4 12.2 27.3 24 24 A V S S- 0 0 133 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.985 75.7 -4.0-128.5 124.0 77.5 14.3 24.9 25 25 A G S S+ 0 0 69 -2,-0.4 -1,-0.3 1,-0.1 0, 0.0 0.993 120.1 53.8 62.6 79.9 78.9 17.4 23.1 26 26 A G S S+ 0 0 67 -3,-0.2 -1,-0.1 3,-0.0 -3,-0.0 -0.292 104.4 35.7 168.7 -71.8 82.4 17.8 24.5 27 27 A Y S S- 0 0 210 1,-0.0 -4,-0.0 0, 0.0 -9,-0.0 -0.007 119.9 -86.0-100.3 29.1 84.7 14.8 24.3 28 28 A G - 0 0 56 3,-0.0 -4,-0.1 1,-0.0 -5,-0.1 0.965 50.7-131.5 67.7 88.4 83.4 13.6 21.0 29 29 A P S S+ 0 0 63 0, 0.0 -5,-0.1 0, 0.0 -7,-0.1 -0.239 77.2 36.2 -68.0 158.7 80.3 11.4 21.6 30 30 A Q S S- 0 0 187 -7,-0.3 -8,-0.1 2,-0.0 -6,-0.0 0.984 80.5-141.5 61.7 84.3 79.9 7.9 20.0 31 31 A S - 0 0 110 1,-0.0 2,-0.1 201,-0.0 -3,-0.0 -0.158 9.5-155.2 -67.0 169.4 83.4 6.4 19.8 32 32 A S + 0 0 63 2,-0.1 -1,-0.0 3,-0.1 200,-0.0 -0.571 45.3 121.2-154.3 79.9 84.5 4.3 16.8 33 33 A S S > S+ 0 0 83 -2,-0.1 4,-0.7 246,-0.1 3,-0.1 0.799 88.0 24.6-101.9 -60.7 87.2 1.8 17.3 34 34 A A H >> S+ 0 0 32 1,-0.2 4,-1.7 2,-0.2 3,-1.0 0.974 118.3 56.4 -67.0 -57.9 85.6 -1.5 16.3 35 35 A P H 3> S+ 0 0 69 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.686 96.4 67.7 -60.3 -17.6 82.8 -0.3 13.9 36 36 A V H 3> S+ 0 0 26 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.970 107.2 36.9 -63.5 -53.1 85.4 1.5 11.7 37 37 A A H < S+ 0 0 48 -4,-2.1 3,-0.9 1,-0.2 6,-0.4 0.731 110.1 62.7 -75.2 -23.0 82.0 -2.2 1.7 44 44 A L H 3< S+ 0 0 2 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.817 99.1 56.0 -63.4 -32.2 85.0 -4.5 1.1 45 45 A S T 3< S+ 0 0 84 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.528 86.1 113.7 -77.2 -5.6 82.4 -7.2 0.5 46 46 A S S X> S- 0 0 38 -3,-0.9 4,-1.8 1,-0.1 3,-0.6 -0.282 82.9-113.6 -65.5 152.2 80.8 -5.0 -2.2 47 47 A P H 3> S+ 0 0 106 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.842 116.4 59.4 -55.3 -33.5 80.9 -6.3 -5.8 48 48 A A H 3> S+ 0 0 44 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.910 105.4 47.5 -63.3 -41.7 83.2 -3.4 -6.7 49 49 A A H <> S+ 0 0 0 -3,-0.6 4,-1.9 -6,-0.4 -1,-0.2 0.927 109.1 53.0 -66.4 -44.7 85.8 -4.5 -4.2 50 50 A S H X S+ 0 0 34 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.896 107.7 51.5 -59.5 -41.5 85.7 -8.1 -5.3 51 51 A S H X S+ 0 0 69 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.907 108.7 50.7 -62.7 -41.9 86.4 -7.1 -8.9 52 52 A R H X S+ 0 0 15 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.844 105.1 58.1 -64.8 -33.5 89.3 -5.0 -7.9 53 53 A V H X S+ 0 0 1 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.939 105.8 48.9 -60.9 -46.0 90.7 -8.0 -6.0 54 54 A S H X S+ 0 0 27 -4,-1.9 4,-1.9 1,-0.2 3,-0.4 0.931 110.1 51.0 -59.3 -44.9 90.7 -10.1 -9.1 55 55 A S H X S+ 0 0 59 -4,-2.0 4,-2.1 1,-0.3 -1,-0.2 0.869 105.9 56.1 -61.6 -36.5 92.5 -7.3 -11.0 56 56 A A H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -1,-0.3 0.853 104.5 54.8 -62.7 -34.1 95.1 -7.2 -8.2 57 57 A V H X S+ 0 0 0 -4,-1.6 4,-2.8 -3,-0.4 5,-0.2 0.966 108.6 45.7 -63.1 -52.8 95.7 -10.9 -8.8 58 58 A S H X S+ 0 0 51 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.880 113.1 51.4 -59.9 -39.2 96.5 -10.4 -12.5 59 59 A S H X S+ 0 0 47 -4,-2.1 4,-2.1 2,-0.2 5,-0.4 0.956 115.2 39.1 -65.2 -51.1 98.7 -7.4 -11.8 60 60 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.898 117.6 50.4 -66.5 -40.4 100.9 -9.1 -9.2 61 61 A V H < S+ 0 0 50 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.927 115.7 39.3 -65.7 -47.2 101.0 -12.5 -11.0 62 62 A S H < S+ 0 0 95 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.910 124.2 37.2 -73.7 -43.1 102.0 -11.1 -14.4 63 63 A S H < S- 0 0 69 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.875 132.0 -70.7 -77.8 -38.7 104.5 -8.5 -13.2 64 64 A G >< - 0 0 19 -4,-2.2 3,-2.4 -5,-0.4 -3,-0.2 0.010 28.2-131.0 142.4 105.6 105.9 -10.5 -10.3 65 65 A P T 3 S+ 0 0 13 0, 0.0 187,-0.1 0, 0.0 -4,-0.1 0.775 112.7 33.7 -43.2 -32.0 104.2 -11.5 -7.0 66 66 A T T 3 S+ 0 0 57 185,-0.1 2,-0.4 -6,-0.1 3,-0.1 -0.042 91.4 122.0-121.5 30.3 107.3 -10.3 -5.1 67 67 A N <> - 0 0 72 -3,-2.4 4,-2.2 -7,-0.2 5,-0.2 -0.779 56.1-145.2 -98.2 138.6 108.5 -7.4 -7.3 68 68 A Q H > S+ 0 0 47 -2,-0.4 4,-2.0 2,-0.2 5,-0.1 0.918 103.9 47.2 -63.4 -43.0 108.9 -3.8 -6.0 69 69 A A H > S+ 0 0 49 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.903 112.0 49.8 -66.8 -41.0 107.7 -2.4 -9.3 70 70 A A H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.912 110.5 49.3 -65.7 -43.4 104.7 -4.7 -9.6 71 71 A L H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.917 108.6 53.3 -63.2 -42.0 103.5 -4.0 -6.0 72 72 A S H X S+ 0 0 23 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.890 108.0 51.6 -60.5 -39.6 103.8 -0.2 -6.6 73 73 A N H X S+ 0 0 72 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.912 109.9 48.8 -63.3 -42.7 101.6 -0.5 -9.7 74 74 A T H X S+ 0 0 3 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.938 112.4 46.5 -65.4 -47.3 98.9 -2.5 -7.8 75 75 A I H X S+ 0 0 9 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.930 113.8 48.3 -62.4 -46.1 98.7 -0.0 -4.9 76 76 A S H X S+ 0 0 23 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.952 115.0 43.4 -60.7 -51.1 98.6 3.1 -7.1 77 77 A S H X S+ 0 0 66 -4,-2.2 4,-2.1 -5,-0.2 5,-0.2 0.927 115.7 47.5 -63.0 -46.4 95.9 1.8 -9.5 78 78 A V H X S+ 0 0 8 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.937 110.5 50.9 -63.6 -46.9 93.7 0.3 -6.7 79 79 A V H X S+ 0 0 18 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.2 0.904 110.9 50.1 -58.9 -42.7 93.8 3.4 -4.5 80 80 A S H X S+ 0 0 73 -4,-2.0 4,-1.5 -5,-0.2 3,-0.4 0.961 114.6 41.0 -60.5 -54.1 92.8 5.7 -7.4 81 81 A Q H X S+ 0 0 70 -4,-2.1 4,-1.8 1,-0.2 5,-0.2 0.870 110.6 57.0 -67.8 -36.9 89.8 3.6 -8.6 82 82 A V H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.825 107.5 50.1 -62.6 -34.6 88.6 2.9 -5.0 83 83 A S H < S+ 0 0 31 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.860 104.3 59.3 -65.9 -38.0 88.5 6.7 -4.5 84 84 A A H < S+ 0 0 79 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.882 110.4 40.6 -60.9 -40.3 86.5 7.0 -7.7 85 85 A S H < S+ 0 0 65 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.870 120.5 46.2 -72.7 -37.9 83.7 4.8 -6.3 86 86 A N < + 0 0 39 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.642 58.3 135.9-113.0 71.2 83.9 6.4 -2.9 87 87 A P S S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.781 75.5 60.6 -76.3 -30.6 84.0 10.2 -3.3 88 88 A G S S+ 0 0 79 -3,-0.3 -2,-0.1 -5,-0.1 2,-0.1 0.809 92.1 83.9 -65.6 -30.1 81.5 10.6 -0.4 89 89 A L S S- 0 0 53 -6,-0.1 5,-0.0 1,-0.1 -3,-0.0 -0.370 89.3-101.7 -77.9 154.5 83.9 8.9 2.0 90 90 A S > - 0 0 84 1,-0.1 4,-1.6 -2,-0.1 3,-0.2 -0.215 35.2-102.9 -69.8 165.1 86.6 10.7 3.8 91 91 A G H > S+ 0 0 24 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.860 123.2 53.7 -58.4 -36.5 90.2 10.6 2.7 92 92 A a H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 103.8 55.1 -66.7 -39.6 91.0 8.1 5.5 93 93 A D H > S+ 0 0 34 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.864 105.2 54.6 -60.5 -35.5 88.2 5.8 4.4 94 94 A V H X S+ 0 0 17 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.937 108.6 47.2 -62.6 -46.3 89.8 5.7 1.0 95 95 A L H X S+ 0 0 10 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.896 110.7 52.7 -63.7 -40.4 93.2 4.6 2.4 96 96 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.3 0.939 109.5 48.2 -59.6 -48.0 91.5 1.9 4.5 97 97 A Q H X S+ 0 0 1 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.901 113.0 46.9 -64.7 -42.4 89.7 0.4 1.6 98 98 A A H X S+ 0 0 1 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.927 112.6 49.8 -64.2 -43.9 92.8 0.3 -0.7 99 99 A L H X S+ 0 0 7 -4,-2.3 4,-1.4 1,-0.2 3,-0.4 0.949 113.6 41.1 -66.7 -50.6 95.0 -1.2 2.0 100 100 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.3 -1,-0.2 0.820 110.2 59.5 -71.0 -29.5 92.8 -4.1 3.2 101 101 A E H X S+ 0 0 4 -4,-1.5 4,-1.8 -5,-0.3 -1,-0.3 0.849 103.9 51.8 -63.9 -33.5 91.8 -4.9 -0.4 102 102 A V H X S+ 0 0 5 -4,-1.5 4,-2.0 -3,-0.4 -2,-0.2 0.870 106.0 55.3 -67.4 -35.9 95.5 -5.4 -1.1 103 103 A V H X S+ 0 0 2 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.937 107.1 49.3 -60.3 -45.2 95.6 -7.8 1.9 104 104 A S H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.884 108.1 53.2 -64.1 -39.8 92.8 -9.8 0.3 105 105 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.919 108.4 50.4 -61.0 -42.6 94.6 -10.0 -3.1 106 106 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.861 105.9 56.0 -65.0 -35.9 97.7 -11.4 -1.3 107 107 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.906 104.7 53.3 -61.0 -41.6 95.5 -14.0 0.5 108 108 A S H X S+ 0 0 5 -4,-1.8 4,-1.9 1,-0.2 152,-0.3 0.897 108.0 50.6 -60.4 -39.9 94.3 -15.2 -3.0 109 109 A I H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 148,-0.3 0.911 109.6 50.5 -64.1 -42.7 97.9 -15.6 -4.1 110 110 A L H < S+ 0 0 1 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.907 109.7 49.6 -63.1 -43.7 98.8 -17.6 -1.0 111 111 A G H < S+ 0 0 26 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.882 118.7 38.6 -65.2 -39.2 95.9 -20.0 -1.4 112 112 A S H < S+ 0 0 20 -4,-1.9 146,-0.4 -5,-0.2 -1,-0.2 0.766 113.4 69.6 -79.0 -26.9 96.8 -20.6 -5.1 113 113 A S S < S- 0 0 9 -4,-2.3 2,-0.4 -5,-0.2 143,-0.2 -0.425 83.4-114.0 -94.6 166.2 100.5 -20.6 -4.4 114 114 A S B -A 255 0A 73 141,-2.1 141,-2.1 -2,-0.1 2,-0.5 -0.795 22.0-131.4-102.1 143.1 102.7 -23.1 -2.6 115 115 A I + 0 0 75 -2,-0.4 139,-0.1 139,-0.2 3,-0.1 -0.798 31.9 165.8 -97.6 128.4 104.5 -22.4 0.7 116 116 A G - 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0 0 18 -4,-2.2 3,-2.4 -5,-0.4 -3,-0.2 0.009 28.1-131.0 142.3 105.4 98.2 -21.9 8.1 206 65 B P T 3 S+ 0 0 12 0, 0.0 -95,-0.1 0, 0.0 -4,-0.1 0.776 112.8 33.6 -43.0 -32.0 99.0 -19.2 5.5 207 66 B T T 3 S+ 0 0 59 -97,-0.1 2,-0.4 -6,-0.1 3,-0.1 -0.039 91.4 122.0-121.6 30.6 95.6 -19.7 3.9 208 67 B N <> - 0 0 71 -3,-2.4 4,-2.2 -7,-0.2 5,-0.2 -0.777 56.1-145.2 -98.6 138.6 93.5 -20.5 7.0 209 68 B Q H > S+ 0 0 46 -2,-0.4 4,-2.0 2,-0.2 5,-0.1 0.917 103.9 47.2 -63.3 -43.1 90.4 -18.5 8.0 210 69 B A H > S+ 0 0 51 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.902 112.0 49.8 -66.7 -41.1 91.2 -19.0 11.7 211 70 B A H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 110.5 49.3 -65.7 -43.2 94.8 -18.2 11.4 212 71 B L H X S+ 0 0 7 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.916 108.6 53.2 -63.4 -41.9 94.1 -14.9 9.5 213 72 B S H X S+ 0 0 25 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.890 108.0 51.6 -60.8 -39.1 91.6 -13.8 12.1 214 73 B N H X S+ 0 0 83 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.911 110.0 48.8 -63.7 -42.8 94.2 -14.4 14.8 215 74 B T H X S+ 0 0 4 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.937 112.4 46.5 -65.5 -47.2 96.8 -12.2 13.0 216 75 B I H X S+ 0 0 8 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.930 113.8 48.3 -62.3 -46.1 94.4 -9.3 12.4 217 76 B S H X S+ 0 0 46 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.952 115.0 43.3 -60.6 -51.1 93.1 -9.2 15.9 218 77 B S H X S+ 0 0 66 -4,-2.2 4,-2.1 -5,-0.2 5,-0.2 0.926 115.7 47.6 -62.9 -46.4 96.4 -9.3 17.6 219 78 B V H X S+ 0 0 8 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.937 110.5 50.9 -63.5 -47.2 98.1 -6.8 15.3 220 79 B V H X S+ 0 0 20 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.2 0.903 110.9 50.1 -58.6 -42.7 95.3 -4.2 15.5 221 80 B S H X S+ 0 0 74 -4,-2.0 4,-1.5 -5,-0.2 3,-0.3 0.960 114.6 41.0 -60.6 -54.2 95.3 -4.4 19.3 222 81 B Q H X S+ 0 0 71 -4,-2.1 4,-1.8 1,-0.2 5,-0.2 0.867 110.6 57.0 -67.7 -36.8 99.1 -3.9 19.8 223 82 B V H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.829 107.5 50.1 -62.8 -34.1 99.3 -1.2 17.1 224 83 B S H < S+ 0 0 35 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.863 104.3 59.3 -66.8 -37.6 96.7 0.7 19.0 225 84 B A H < S+ 0 0 76 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.882 110.5 40.6 -61.2 -40.6 98.8 0.3 22.2 226 85 B S H < S+ 0 0 62 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.869 120.5 46.3 -72.3 -37.4 101.8 2.1 20.6 227 86 B N < + 0 0 41 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.640 58.3 135.8-113.6 71.0 99.6 4.7 18.9 228 87 B P S S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.782 75.5 60.6 -76.4 -30.6 97.0 6.0 21.5 229 88 B G S S+ 0 0 76 -3,-0.3 -2,-0.1 -5,-0.1 2,-0.1 0.808 92.1 83.8 -65.5 -30.5 97.7 9.6 20.3 230 89 B L S S- 0 0 54 -6,-0.1 5,-0.0 1,-0.1 -3,-0.0 -0.371 89.3-101.8 -77.5 154.3 96.6 8.7 16.7 231 90 B S > - 0 0 86 1,-0.1 4,-1.6 -2,-0.1 3,-0.2 -0.216 35.2-102.8 -69.7 165.1 92.9 8.7 15.7 232 91 B G H > S+ 0 0 37 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.858 123.2 53.7 -58.3 -36.7 90.9 5.5 15.4 233 92 B a H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 103.8 55.1 -66.7 -39.4 91.2 5.6 11.6 234 93 B D H > S+ 0 0 34 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.863 105.2 54.6 -60.8 -35.1 95.0 5.9 11.8 235 94 B V H X S+ 0 0 16 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.937 108.6 47.2 -62.8 -46.1 94.9 2.7 14.0 236 95 B L H X S+ 0 0 8 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.895 110.8 52.7 -63.9 -40.3 93.0 0.8 11.3 237 96 B V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.3 0.939 109.5 48.1 -59.7 -47.7 95.3 2.1 8.5 238 97 B Q H X S+ 0 0 1 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.900 113.1 46.9 -65.0 -42.1 98.4 0.9 10.3 239 98 B A H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.927 112.6 49.8 -64.5 -43.9 97.1 -2.6 11.1 240 99 B L H X S+ 0 0 6 -4,-2.3 4,-1.4 1,-0.2 3,-0.4 0.946 113.6 41.0 -66.1 -52.2 95.8 -3.2 7.5 241 100 B L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.819 110.2 59.6 -69.8 -29.5 98.9 -2.2 5.5 242 101 B E H X S+ 0 0 4 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 0.848 103.9 51.7 -64.4 -33.0 101.1 -4.0 8.1 243 102 B V H X S+ 0 0 3 -4,-1.5 4,-2.0 -3,-0.4 -2,-0.2 0.869 106.0 55.3 -67.9 -35.6 99.1 -7.2 7.2 244 103 B V H X S+ 0 0 3 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.937 107.1 49.3 -60.7 -45.0 99.9 -6.4 3.5 245 104 B S H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.883 108.1 53.2 -64.2 -39.7 103.6 -6.4 4.3 246 105 B A H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.919 108.4 50.3 -61.3 -42.2 103.5 -9.7 6.2 247 106 B L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.860 106.0 56.0 -65.5 -35.8 101.8 -11.3 3.2 248 107 B V H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.906 104.7 53.3 -61.2 -41.2 104.5 -9.9 0.9 249 108 B S H X S+ 0 0 4 -4,-1.8 4,-1.9 1,-0.2 -130,-0.3 0.895 108.0 50.5 -60.7 -39.6 107.1 -11.7 3.1 250 109 B I H X S+ 0 0 1 -4,-1.6 4,-2.3 1,-0.2 -134,-0.3 0.911 109.7 50.5 -64.4 -42.3 105.2 -15.0 2.7 251 110 B L H < S+ 0 0 1 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.907 109.7 49.6 -63.4 -43.6 105.1 -14.6 -1.1 252 111 B G H < S+ 0 0 27 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.881 118.7 38.6 -64.9 -39.6 108.9 -13.9 -1.4 253 112 B S H < S+ 0 0 21 -4,-1.9 -136,-0.4 -5,-0.2 -1,-0.2 0.765 113.4 69.7 -78.8 -27.1 109.7 -16.9 0.7 254 113 B S S < S- 0 0 7 -4,-2.3 2,-0.4 -5,-0.2 -139,-0.2 -0.428 83.4-114.1 -94.1 166.5 107.0 -19.0 -0.9 255 114 B S B -A 114 0A 73 -141,-2.1 -141,-2.1 -2,-0.1 2,-0.5 -0.793 22.0-131.4-102.4 143.1 106.7 -20.5 -4.4 256 115 B I + 0 0 75 -2,-0.4 -143,-0.1 -143,-0.2 3,-0.1 -0.798 32.0 165.8 -97.6 128.4 104.0 -19.4 -6.9 257 116 B G - 0 0 42 -2,-0.5 2,-0.5 -148,-0.3 -144,-0.2 0.269 54.1 -23.8-107.0-128.4 102.0 -22.1 -8.7 258 117 B Q - 0 0 178 -146,-0.4 2,-0.6 2,-0.0 -1,-0.2 -0.817 63.9-129.2 -94.1 124.7 98.8 -21.9 -10.7 259 118 B I - 0 0 43 -2,-0.5 2,-1.5 1,-0.1 3,-0.1 -0.609 7.9-148.2 -77.1 115.9 96.7 -18.9 -9.8 260 119 B N - 0 0 94 -2,-0.6 4,-0.3 -152,-0.3 3,-0.3 -0.683 22.0-179.3 -80.1 90.2 93.1 -19.9 -9.2 261 120 B Y S > S+ 0 0 99 -2,-1.5 3,-1.2 1,-0.2 4,-0.3 0.846 71.0 56.2 -66.7 -37.1 91.6 -16.6 -10.5 262 121 B G T > S+ 0 0 68 1,-0.3 3,-0.9 -3,-0.1 4,-0.3 0.873 103.6 52.9 -65.3 -38.9 88.0 -17.4 -9.9 263 122 B A T >> S+ 0 0 19 -3,-0.3 4,-1.8 1,-0.2 3,-0.5 0.481 80.3 95.9 -79.2 -0.8 88.4 -18.1 -6.1 264 123 B S H <> S+ 0 0 1 -3,-1.2 4,-1.5 -4,-0.3 -1,-0.2 0.870 82.6 54.1 -57.3 -36.0 90.1 -14.7 -5.6 265 124 B A H <> S+ 0 0 35 -3,-0.9 4,-1.6 -4,-0.3 -1,-0.3 0.861 103.9 55.8 -65.1 -35.4 86.8 -13.2 -4.6 266 125 B Q H <> S+ 0 0 119 -3,-0.5 4,-1.4 -4,-0.3 -2,-0.2 0.919 105.9 49.5 -64.7 -43.8 86.4 -16.0 -2.0 267 126 B Y H X S+ 0 0 45 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.835 105.4 59.2 -64.4 -31.3 89.7 -15.1 -0.3 268 127 B T H X S+ 0 0 5 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.897 103.1 52.1 -60.7 -39.7 88.5 -11.5 -0.3 269 128 B Q H X S+ 0 0 103 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.853 103.6 58.9 -64.2 -34.3 85.6 -12.7 1.8 270 129 B M H X S+ 0 0 19 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.930 108.0 44.1 -60.8 -46.2 88.1 -14.3 4.2 271 130 B V H X S+ 0 0 6 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.940 113.2 50.1 -66.4 -47.7 89.8 -11.0 4.9 272 131 B G H X S+ 0 0 10 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.882 110.2 53.2 -56.3 -37.5 86.5 -9.1 5.3 273 132 B Q H X S+ 0 0 79 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.911 104.9 53.0 -64.9 -43.5 85.3 -11.8 7.7 274 133 B S H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.877 109.8 49.2 -63.1 -37.5 88.4 -11.5 9.9 275 134 B V H X S+ 0 0 3 -4,-1.8 4,-2.1 2,-0.2 5,-0.3 0.957 112.8 45.9 -65.2 -49.7 87.8 -7.8 10.3 276 135 B A H X S+ 0 0 40 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.926 118.3 41.0 -62.3 -48.0 84.2 -8.1 11.2 277 136 B Q H X S+ 0 0 111 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.891 113.7 53.3 -67.8 -40.5 84.6 -10.9 13.7 278 137 B A H < S+ 0 0 24 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.901 119.5 31.7 -65.4 -43.4 87.8 -9.5 15.3 279 138 B L H < S+ 0 0 27 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.549 108.1 70.8 -93.6 -9.2 86.4 -6.0 16.0 280 139 B A H < 0 0 81 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.861 360.0 360.0 -72.8 -36.2 82.8 -7.3 16.7 281 140 B G < 0 0 124 -4,-1.3 -4,-0.1 -5,-0.1 -3,-0.1 -0.297 360.0 360.0 164.1 360.0 83.9 -9.0 19.9