==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 25-FEB-04 1SH6 . COMPND 2 MOLECULE: PLECTIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.SEVCIK,L.URBANIKOVA . 230 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 67.4 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 . 0 0.0 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 . 13 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 45.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 1 1 0 0 0 1 1 0 1 1 1 2 0 0 0 0 0 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 . 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 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 8 A E > 0 0 165 0, 0.0 4,-1.6 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 160.5 -4.2 22.5 51.7 2 9 A R H > + 0 0 123 1,-0.2 4,-2.3 2,-0.2 212,-0.1 0.862 360.0 57.9 -68.7 -36.5 -1.3 20.6 53.1 3 10 A D H > S+ 0 0 75 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.763 104.9 49.3 -61.8 -32.7 -0.7 18.6 49.9 4 11 A R H > S+ 0 0 142 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.858 113.7 48.0 -73.7 -36.2 -0.1 21.7 47.7 5 12 A V H X S+ 0 0 11 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.922 110.1 51.9 -64.3 -43.0 2.2 23.0 50.4 6 13 A Q H X S+ 0 0 15 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.959 109.8 48.9 -61.9 -47.7 4.0 19.5 50.4 7 14 A K H X S+ 0 0 54 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.906 112.5 50.5 -51.5 -46.8 4.5 19.6 46.6 8 15 A K H X S+ 0 0 57 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.954 113.1 42.2 -54.8 -49.0 5.8 23.0 47.0 9 16 A T H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.949 114.5 51.4 -69.8 -52.7 8.3 22.1 49.8 10 17 A F H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.859 106.6 55.9 -51.6 -40.1 9.4 18.9 48.1 11 18 A T H X S+ 0 0 20 -4,-2.1 4,-2.3 -5,-0.3 19,-0.2 0.913 109.3 43.6 -65.5 -44.3 10.0 20.7 44.8 12 19 A K H X S+ 0 0 70 -4,-1.7 4,-2.0 190,-0.2 -1,-0.2 0.836 112.2 53.6 -68.5 -40.0 12.4 23.2 46.3 13 20 A W H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.907 111.0 46.3 -57.1 -44.2 14.2 20.5 48.3 14 21 A V H X S+ 0 0 0 -4,-2.5 4,-3.4 1,-0.2 3,-0.4 0.957 113.1 50.3 -68.4 -41.9 14.7 18.5 45.1 15 22 A N H X S+ 0 0 14 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.852 101.5 60.1 -64.6 -38.1 15.9 21.6 43.1 16 23 A K H < S+ 0 0 55 -4,-2.0 -1,-0.2 2,-0.2 4,-0.2 0.872 114.1 39.6 -54.1 -40.7 18.4 22.6 45.8 17 24 A H H >< S+ 0 0 11 -4,-1.3 3,-1.5 -3,-0.4 4,-0.3 0.897 108.8 58.7 -79.9 -42.9 20.0 19.2 45.1 18 25 A L H >< S+ 0 0 0 -4,-3.4 3,-1.6 1,-0.3 10,-0.2 0.844 101.3 54.7 -50.3 -46.0 19.6 19.0 41.4 19 26 A I T 3< S+ 0 0 102 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.1 0.594 100.2 61.4 -74.0 -10.1 21.6 22.2 40.7 20 27 A K T < S+ 0 0 118 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.354 75.0 131.3 -91.9 4.8 24.6 20.9 42.7 21 28 A H < - 0 0 2 -3,-1.6 6,-0.1 -4,-0.3 25,-0.1 -0.229 60.7-134.9 -46.3 142.0 25.0 17.9 40.3 22 29 A W S S+ 0 0 130 1,-0.1 2,-0.6 4,-0.1 -1,-0.1 0.730 88.2 73.2 -74.8 -24.7 28.6 17.5 39.2 23 30 A R S >> S- 0 0 71 1,-0.1 3,-1.3 2,-0.0 4,-0.7 -0.819 77.4-142.7 -97.3 124.5 27.6 17.0 35.6 24 31 A A G >4 S+ 0 0 64 -2,-0.6 3,-1.9 1,-0.3 -1,-0.1 0.899 98.3 54.8 -46.9 -48.8 26.3 20.2 33.7 25 32 A E G 34 S+ 0 0 125 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.829 106.9 50.9 -63.6 -23.4 23.6 18.5 31.7 26 33 A A G <4 S+ 0 0 0 -3,-1.3 2,-1.9 1,-0.1 -1,-0.3 0.609 78.9 103.4 -89.5 -12.0 22.1 17.1 34.9 27 34 A Q << + 0 0 89 -3,-1.9 -8,-0.2 -4,-0.7 2,-0.2 -0.514 58.0 152.7 -71.5 83.7 21.9 20.4 36.6 28 35 A R - 0 0 91 -2,-1.9 2,-0.4 -10,-0.2 -7,-0.1 -0.544 40.5-136.4-116.4 170.2 18.2 20.9 36.0 29 36 A H - 0 0 137 -2,-0.2 2,-0.4 -11,-0.1 13,-0.0 -0.996 16.2-138.9-128.7 128.9 15.3 22.7 37.6 30 37 A I + 0 0 1 -2,-0.4 3,-0.1 -19,-0.2 -15,-0.1 -0.817 18.7 178.7 -87.0 137.6 11.8 21.3 38.1 31 38 A S S S+ 0 0 107 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.740 78.8 22.2 -96.8 -43.0 8.6 23.4 37.5 32 39 A D >> - 0 0 48 1,-0.1 4,-2.7 -21,-0.0 3,-2.0 -0.927 63.1-154.0-132.7 122.3 6.0 20.8 38.3 33 40 A L T 34 S+ 0 0 1 -2,-0.4 4,-0.4 1,-0.3 -1,-0.1 0.665 95.0 58.1 -63.9 -22.2 6.8 17.8 40.4 34 41 A Y T 34 S+ 0 0 41 1,-0.1 -1,-0.3 2,-0.1 66,-0.0 0.426 120.2 26.5 -96.3 -3.2 4.0 15.7 38.8 35 42 A E T X4 S+ 0 0 94 -3,-2.0 3,-1.1 3,-0.0 4,-0.3 0.640 112.2 60.3-107.8 -41.0 5.5 16.1 35.4 36 43 A D T 3< S+ 0 0 50 -4,-2.7 6,-0.3 1,-0.3 -3,-0.1 0.382 104.8 48.2 -89.6 2.1 9.2 16.7 35.7 37 44 A L T > S+ 0 0 4 -4,-0.4 3,-1.3 -5,-0.2 -1,-0.3 0.347 86.0 92.7-101.9 -12.7 10.1 13.4 37.4 38 45 A R T < S+ 0 0 60 -3,-1.1 32,-0.2 1,-0.2 -2,-0.1 0.835 81.5 52.2 -55.8 -35.9 8.2 11.2 35.0 39 46 A D T 3 S- 0 0 61 -4,-0.3 -1,-0.2 30,-0.1 30,-0.2 0.459 105.1-127.8 -83.7 0.0 11.0 10.5 32.7 40 47 A G S <> S+ 0 0 0 -3,-1.3 4,-2.0 29,-0.2 5,-0.2 0.237 79.1 109.6 75.7 -15.4 13.2 9.3 35.6 41 48 A H H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.875 80.1 43.3 -61.0 -43.1 16.2 11.6 34.7 42 49 A N H > S+ 0 0 9 -6,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.821 110.3 56.7 -78.2 -26.6 15.9 14.0 37.6 43 50 A L H > S+ 0 0 1 -6,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.911 109.1 46.9 -63.5 -40.6 15.2 11.2 40.0 44 51 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.920 113.0 49.6 -67.3 -43.4 18.5 9.5 39.1 45 52 A S H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.861 107.8 52.7 -59.7 -41.8 20.2 12.9 39.4 46 53 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.908 111.4 46.0 -64.5 -43.7 18.8 13.5 42.7 47 54 A L H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 6,-0.4 0.919 110.0 56.0 -66.0 -37.9 20.0 10.1 44.0 48 55 A E H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 5,-0.4 0.958 112.4 40.9 -56.9 -53.1 23.5 10.8 42.4 49 56 A V H < S+ 0 0 21 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 115.5 49.4 -67.1 -38.0 24.0 14.1 44.3 50 57 A L H < S+ 0 0 39 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.796 126.2 27.0 -72.3 -31.2 22.6 12.8 47.6 51 58 A S H < S- 0 0 31 -4,-2.1 -2,-0.2 -3,-0.2 -1,-0.2 0.695 94.4-131.6 -97.3 -21.3 24.7 9.7 47.6 52 59 A G < + 0 0 52 -4,-2.5 2,-0.2 1,-0.3 -3,-0.2 0.418 65.2 130.7 66.8 4.2 27.7 10.8 45.5 53 60 A D - 0 0 70 -6,-0.4 2,-0.4 -5,-0.4 -1,-0.3 -0.572 60.1-126.0 -82.0 155.5 27.3 7.5 43.5 54 61 A S - 0 0 96 -2,-0.2 -9,-0.0 -3,-0.1 -1,-0.0 -0.867 30.6-162.9-105.4 128.1 27.2 7.4 39.6 55 62 A L - 0 0 30 -2,-0.4 18,-0.0 -11,-0.1 17,-0.0 -0.890 22.3-105.1-116.6 150.1 24.1 5.7 38.4 56 63 A P - 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.294 39.1-167.6 -63.7 157.5 23.4 4.2 35.0 57 64 A R - 0 0 39 15,-0.0 2,-0.6 -13,-0.0 -17,-0.0 -0.960 21.0-132.5-149.4 143.6 21.0 6.2 32.8 58 65 A E - 0 0 82 -2,-0.3 11,-0.1 7,-0.2 -17,-0.0 -0.859 18.6-161.0-100.0 115.1 19.1 5.5 29.6 59 66 A K + 0 0 148 -2,-0.6 -1,-0.1 -18,-0.0 6,-0.0 0.688 51.9 88.1 -65.5 -38.1 19.4 8.5 27.0 60 67 A G S S- 0 0 44 1,-0.1 -2,-0.0 5,-0.0 0, 0.0 0.572 74.8-115.0 -52.0-153.4 16.5 8.2 24.4 61 68 A R + 0 0 94 5,-0.0 5,-0.1 0, 0.0 -1,-0.1 0.711 64.2 123.0-109.1 -41.6 12.9 9.6 24.4 62 69 A M > - 0 0 135 3,-0.1 4,-1.1 2,-0.1 3,-0.4 0.421 68.9-115.3 -31.4 158.1 10.6 6.6 24.5 63 70 A R H >> S+ 0 0 104 1,-0.2 4,-1.6 2,-0.2 3,-1.0 0.954 117.7 48.5 -60.8 -54.6 7.9 5.7 26.9 64 71 A F H 3> S+ 0 0 147 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.604 101.9 64.2 -69.4 -13.5 9.7 2.6 28.2 65 72 A H H 3> S+ 0 0 47 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.827 101.9 52.7 -69.8 -35.9 13.0 4.7 28.6 66 73 A K H <>S+ 0 0 2 -4,-1.7 5,-2.3 2,-0.2 3,-0.6 0.890 111.8 50.7 -71.3 -42.2 16.8 2.6 46.8 78 85 A R H ><5S+ 0 0 91 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.927 105.0 58.3 -63.3 -41.6 15.7 -1.0 47.2 79 86 A H H 3<5S+ 0 0 161 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.742 105.6 52.8 -59.3 -20.4 19.4 -2.0 47.1 80 87 A R T <<5S- 0 0 86 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.103 125.7-101.9 -99.7 24.8 19.9 0.3 50.1 81 88 A Q T < 5 + 0 0 154 -3,-2.3 2,-0.6 1,-0.2 -3,-0.2 0.781 67.2 154.7 63.1 29.8 17.1 -1.3 52.1 82 89 A V < - 0 0 16 -5,-2.3 2,-0.7 -8,-0.1 -1,-0.2 -0.813 42.6-134.3 -92.2 125.3 14.5 1.4 51.4 83 90 A K - 0 0 183 -2,-0.6 2,-0.9 -3,-0.1 3,-0.1 -0.736 16.2-166.9 -83.2 110.5 11.1 -0.1 51.8 84 91 A L > - 0 0 13 -2,-0.7 3,-0.7 1,-0.3 -1,-0.1 -0.880 20.2-145.5-101.3 90.2 9.1 1.2 48.7 85 92 A V T 3 - 0 0 144 -2,-0.9 -1,-0.3 1,-0.3 2,-0.1 0.677 69.2 -40.3 -47.4 -54.2 6.0 0.0 50.3 86 93 A N T 3 S+ 0 0 119 -3,-0.1 2,-0.5 2,-0.0 -1,-0.3 -0.654 80.9 151.8-161.9 109.6 4.7 -0.8 46.8 87 94 A I < - 0 0 17 -3,-0.7 2,-0.3 -2,-0.1 -3,-0.1 -0.995 25.4-152.7-132.1 136.5 5.4 1.5 43.9 88 95 A R >> - 0 0 156 -2,-0.5 4,-1.1 1,-0.1 3,-0.9 -0.716 31.6-111.6-104.3 167.7 5.7 0.5 40.4 89 96 A N H 3> S+ 0 0 44 -2,-0.3 4,-2.9 1,-0.3 3,-0.5 0.894 116.9 61.3 -57.1 -42.1 7.7 2.2 37.7 90 97 A D H 3> S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.771 92.8 60.7 -50.7 -44.0 4.3 3.2 36.2 91 98 A D H <4>S+ 0 0 38 -3,-0.9 5,-2.7 2,-0.2 4,-0.4 0.925 113.4 37.0 -55.7 -41.3 3.1 5.2 39.1 92 99 A I H ><5S+ 0 0 2 -4,-1.1 3,-0.8 -3,-0.5 -2,-0.2 0.901 115.6 52.8 -83.9 -42.3 6.0 7.6 38.7 93 100 A A H 3<5S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.848 111.5 47.5 -63.1 -33.6 6.1 7.5 35.0 94 101 A D T 3<5S- 0 0 83 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.566 114.7-116.9 -83.2 -6.5 2.4 8.4 34.9 95 102 A G T < 5 - 0 0 9 -3,-0.8 -3,-0.2 -4,-0.4 -2,-0.1 0.812 40.0-176.9 84.4 27.8 2.8 11.2 37.4 96 103 A N >< - 0 0 64 -5,-2.7 4,-2.3 -6,-0.2 5,-0.2 -0.420 16.5-148.8 -62.3 120.2 0.6 9.8 40.2 97 104 A P H > S+ 0 0 56 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.942 89.4 47.7 -57.6 -48.7 0.6 12.6 43.0 98 105 A K H > S+ 0 0 169 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.870 118.6 40.8 -63.9 -44.6 0.3 10.6 46.1 99 106 A L H > S+ 0 0 43 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.764 113.4 52.7 -74.4 -33.7 3.0 8.2 45.1 100 107 A T H X S+ 0 0 4 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.921 114.3 44.2 -62.9 -47.8 5.3 10.9 43.6 101 108 A L H X S+ 0 0 4 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.900 113.2 51.8 -61.2 -45.0 5.0 12.8 46.9 102 109 A G H X S+ 0 0 29 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.845 108.0 51.4 -58.1 -36.6 5.5 9.6 48.8 103 110 A L H X S+ 0 0 4 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.927 110.7 47.8 -75.9 -37.8 8.7 8.7 46.9 104 111 A I H X S+ 0 0 1 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.908 111.1 50.8 -69.8 -39.7 10.2 12.1 47.6 105 112 A W H X S+ 0 0 43 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.869 107.5 53.6 -60.6 -45.3 9.3 11.9 51.2 106 113 A T H X S+ 0 0 36 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.861 109.6 47.8 -55.4 -41.5 10.9 8.5 51.4 107 114 A I H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 5,-0.4 0.940 111.1 51.0 -67.2 -45.3 14.0 9.9 49.9 108 115 A I H X>S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-2.2 0.932 112.4 46.9 -58.6 -46.1 14.0 12.9 52.3 109 116 A L H <>S+ 0 0 62 -4,-2.8 5,-2.6 3,-0.2 -1,-0.2 0.940 114.2 47.4 -57.7 -45.2 13.6 10.6 55.3 110 117 A H H <5S+ 0 0 49 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.891 125.0 25.8 -68.0 -45.6 16.3 8.3 54.1 111 118 A F H <5S+ 0 0 35 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.749 135.4 17.9 -92.6 -29.2 18.9 10.8 53.3 112 119 A Q T ><5S+ 0 0 10 -4,-2.5 3,-0.5 -5,-0.4 -3,-0.2 0.820 122.1 40.0-117.1 -39.3 18.2 13.7 55.5 113 120 A I G > - 0 0 11 -2,-0.5 3,-1.6 112,-0.0 16,-0.0 -0.969 33.2-102.1-121.1 140.7 20.3 13.3 70.2 119 126 A S T 3 S+ 0 0 102 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.235 102.7 12.6 -57.1 125.3 21.9 12.5 73.6 120 127 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.2 -2,-0.0 2,-0.1 0.631 90.1 144.3 85.2 13.5 19.6 10.8 76.1 121 128 A Q < - 0 0 41 -3,-1.6 2,-0.2 1,-0.1 -1,-0.2 -0.345 55.0 -96.8 -67.9 161.4 16.9 9.9 73.6 122 129 A S > - 0 0 55 1,-0.1 3,-1.4 4,-0.1 -1,-0.1 -0.599 26.2-120.5 -79.8 149.6 14.9 6.7 73.8 123 130 A E T 3 S+ 0 0 176 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.820 109.2 34.1 -52.7 -52.3 15.9 3.5 71.8 124 131 A D T 3 S+ 0 0 151 2,-0.0 2,-0.4 3,-0.0 -1,-0.3 -0.373 81.9 121.8-115.1 51.4 12.6 3.2 69.9 125 132 A M < - 0 0 36 -3,-1.4 -4,-0.0 1,-0.1 2,-0.0 -0.857 68.4-113.0 -75.7 146.0 11.7 6.8 69.5 126 133 A T > - 0 0 76 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.273 23.7-103.6 -70.7 163.9 11.3 7.4 65.8 127 134 A A H > S+ 0 0 26 2,-0.2 4,-0.9 1,-0.2 5,-0.1 0.867 127.9 48.4 -56.2 -33.5 13.5 9.7 63.8 128 135 A K H > S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.854 109.3 52.6 -70.7 -35.1 10.7 12.3 63.9 129 136 A E H > S+ 0 0 79 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.930 108.7 51.8 -66.3 -35.0 10.4 11.7 67.6 130 137 A K H X S+ 0 0 31 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.740 108.3 49.9 -69.5 -27.9 14.1 12.4 67.8 131 138 A L H X S+ 0 0 0 -4,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.851 107.7 54.4 -75.8 -39.9 13.9 15.6 65.9 132 139 A L H X S+ 0 0 21 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.838 106.4 50.8 -59.2 -33.3 11.1 16.8 68.1 133 140 A L H X S+ 0 0 36 -4,-1.2 4,-2.8 1,-0.2 5,-0.3 0.922 109.5 51.3 -81.8 -43.0 13.3 16.2 71.2 134 141 A W H X S+ 0 0 12 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.936 109.7 49.7 -50.9 -45.5 16.0 18.2 69.7 135 142 A S H X S+ 0 0 1 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.956 112.5 47.1 -64.4 -50.2 13.6 21.0 69.0 136 143 A Q H >< S+ 0 0 69 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.910 112.8 48.7 -48.2 -54.4 12.3 21.0 72.5 137 144 A R H >< S+ 0 0 83 -4,-2.8 3,-0.9 1,-0.3 4,-0.2 0.861 105.1 60.1 -59.7 -38.4 15.8 20.9 74.0 138 145 A M H 3< S+ 0 0 14 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.760 118.6 29.1 -60.4 -25.6 16.7 23.8 71.6 139 146 A V T << S+ 0 0 3 -4,-1.0 3,-0.5 -3,-0.9 6,-0.3 0.174 79.5 123.8-121.4 24.0 14.0 25.9 73.3 140 147 A E S < S+ 0 0 141 -3,-0.9 4,-0.2 1,-0.2 -2,-0.1 0.806 82.0 38.2 -55.9 -35.7 13.9 24.5 76.9 141 148 A G S S+ 0 0 62 -4,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.724 83.6 110.2 -91.2 -25.7 14.6 27.8 78.6 142 149 A Y S > S- 0 0 46 -3,-0.5 2,-1.0 1,-0.2 3,-0.8 -0.304 90.2 -87.0 -62.5 144.2 12.7 30.3 76.4 143 150 A Q T 3 S- 0 0 90 1,-0.3 -1,-0.2 0, 0.0 -2,-0.1 -0.358 88.9 -37.3 -73.5 90.2 9.7 31.5 78.4 144 151 A G T 3 S+ 0 0 69 -2,-1.0 2,-0.6 1,-0.3 -1,-0.3 0.688 88.5 140.2 70.1 22.6 6.8 29.1 78.0 145 152 A L < - 0 0 21 -3,-0.8 2,-0.3 -6,-0.3 -1,-0.3 -0.877 34.1-162.0 -88.7 123.4 7.1 28.1 74.3 146 153 A R - 0 0 171 -2,-0.6 2,-0.5 7,-0.0 13,-0.1 -0.802 18.3-154.5 -91.7 147.8 6.4 24.4 73.9 147 154 A C + 0 0 2 -2,-0.3 -11,-0.2 1,-0.1 3,-0.1 -0.876 35.2 149.8-109.6 96.9 7.3 22.3 71.0 148 155 A D - 0 0 98 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.719 64.5 -1.9 -89.7 -25.7 4.6 19.6 71.2 149 156 A N - 0 0 43 -3,-0.1 -1,-0.1 -17,-0.0 0, 0.0 -0.863 68.5-103.6-154.4 179.0 4.3 18.7 67.5 150 157 A F S S+ 0 0 0 -2,-0.3 68,-0.3 3,-0.1 69,-0.2 -0.027 106.3 43.8-108.8 25.3 5.5 19.5 64.0 151 158 A T S > S+ 0 0 30 67,-0.1 3,-2.2 68,-0.0 4,-0.4 0.300 115.9 18.2-122.9 -89.7 2.4 21.4 63.0 152 159 A T G > S+ 0 0 39 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.849 115.3 66.7 -66.4 -32.6 0.5 24.0 65.2 153 160 A S G 3 S+ 0 0 21 1,-0.3 6,-0.4 2,-0.1 -1,-0.3 0.637 103.0 45.4 -62.1 -17.6 3.4 24.5 67.4 154 161 A W G X S+ 0 0 0 -3,-2.2 3,-1.6 1,-0.1 -1,-0.3 0.466 85.3 98.4 -99.5 -13.4 5.4 26.1 64.6 155 162 A R T < S+ 0 0 87 -3,-1.6 -2,-0.1 -4,-0.4 31,-0.1 0.875 81.3 44.8 -50.1 -50.2 2.6 28.3 63.3 156 163 A D T 3 S- 0 0 38 -4,-0.4 -1,-0.3 1,-0.1 29,-0.1 0.361 104.5-118.9 -80.5 2.2 3.5 31.7 64.9 157 164 A G S <> S+ 0 0 0 -3,-1.6 4,-2.2 28,-0.1 5,-0.3 0.239 81.4 116.2 85.0 -12.3 7.2 31.6 64.2 158 165 A R H > S+ 0 0 81 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.950 73.7 50.9 -60.0 -52.6 8.3 31.7 67.8 159 166 A L H > S+ 0 0 2 -6,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.913 110.7 48.6 -46.8 -47.4 10.0 28.3 67.7 160 167 A F H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.868 113.3 46.4 -68.2 -41.1 12.0 29.0 64.6 161 168 A N H X S+ 0 0 0 -4,-2.2 4,-3.5 -3,-0.2 -1,-0.2 0.938 111.4 51.2 -64.7 -46.2 13.2 32.3 65.9 162 169 A A H < S+ 0 0 0 -4,-3.2 -2,-0.2 -5,-0.3 -1,-0.2 0.890 110.1 50.9 -58.4 -40.0 14.1 30.9 69.2 163 170 A I H < S+ 0 0 0 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.927 110.4 46.9 -62.0 -43.5 16.0 28.2 67.5 164 171 A I H >X S+ 0 0 1 -4,-1.9 2,-2.5 1,-0.2 3,-1.7 0.922 99.8 71.3 -69.2 -42.8 18.0 30.6 65.4 165 172 A H T 3< S+ 0 0 45 -4,-3.5 -1,-0.2 1,-0.2 -4,-0.0 -0.535 77.5 83.4 -59.6 64.4 18.6 32.7 68.5 166 173 A R T 34 S+ 0 0 99 -2,-2.5 -1,-0.2 -27,-0.0 -2,-0.1 0.238 114.9 4.6-149.2 -7.8 21.0 30.0 69.8 167 174 A H T <4 S+ 0 0 78 -3,-1.7 -2,-0.2 -4,-0.1 -3,-0.1 0.193 135.4 50.4-151.7 21.1 23.9 31.2 67.9 168 175 A K >X + 0 0 86 -4,-1.3 3,-1.6 2,-0.1 4,-1.4 -0.251 61.7 141.5-129.0 53.2 22.7 34.2 66.3 169 176 A P T 34 S+ 0 0 64 0, 0.0 3,-0.3 0, 0.0 5,-0.1 0.893 75.2 58.4 -49.8 -35.8 21.4 35.7 69.5 170 177 A M T 34 S+ 0 0 185 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.1 0.822 102.5 52.1 -62.1 -32.8 22.7 38.9 68.0 171 178 A L T <4 S+ 0 0 79 -3,-1.6 2,-0.4 -7,-0.1 -1,-0.2 0.737 107.2 49.9 -88.3 -19.0 20.5 38.6 64.9 172 179 A I < - 0 0 8 -4,-1.4 2,-0.7 -3,-0.3 -1,-0.1 -0.968 62.9-152.9-127.4 147.9 17.2 38.1 66.4 173 180 A D > - 0 0 76 -2,-0.4 4,-1.8 1,-0.1 3,-0.2 -0.907 5.8-163.4-111.8 103.1 15.4 40.0 69.2 174 181 A M H > S+ 0 0 27 -2,-0.7 4,-1.9 1,-0.2 -1,-0.1 0.738 87.6 63.1 -69.0 -23.0 13.0 37.7 70.9 175 182 A N H > S+ 0 0 102 2,-0.2 4,-0.8 1,-0.2 3,-0.3 0.977 103.8 43.8 -62.4 -55.5 11.2 40.6 72.4 176 183 A K H >> S+ 0 0 71 1,-0.2 3,-1.1 2,-0.2 4,-1.0 0.875 107.3 67.8 -50.3 -35.2 10.1 42.0 69.0 177 184 A V H >< S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.3 -2,-0.2 0.955 99.6 45.3 -55.4 -48.9 9.3 38.3 68.4 178 185 A Y H 3< S+ 0 0 87 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.645 116.7 47.8 -75.6 -6.7 6.5 38.3 70.9 179 186 A R H << S+ 0 0 175 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.438 97.4 87.4 -95.6 -11.6 5.3 41.6 69.5 180 187 A Q S << S- 0 0 43 -3,-1.3 2,-0.1 -4,-1.0 -3,-0.0 -0.538 80.5-106.0 -95.1 162.1 5.3 40.6 65.8 181 188 A T > - 0 0 82 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.401 38.0-103.7 -72.1 168.3 2.6 38.9 63.6 182 189 A N H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.914 121.5 51.4 -55.7 -42.1 3.0 35.2 62.7 183 190 A L H > S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.855 108.6 47.2 -69.8 -41.3 4.0 36.3 59.2 184 191 A E H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.889 112.7 51.0 -62.7 -44.5 6.7 38.8 60.2 185 192 A N H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.903 112.2 46.8 -62.9 -43.5 8.2 36.3 62.6 186 193 A L H X S+ 0 0 0 -4,-2.3 4,-3.2 -5,-0.2 5,-0.3 0.952 111.8 49.6 -65.2 -46.8 8.3 33.5 59.9 187 194 A D H X S+ 0 0 70 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.955 113.8 45.8 -57.6 -51.7 9.8 35.7 57.2 188 195 A Q H X S+ 0 0 25 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.903 112.6 49.4 -54.5 -58.7 12.5 36.9 59.5 189 196 A A H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.985 116.3 42.9 -45.8 -57.5 13.3 33.4 60.8 190 197 A F H X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.878 115.4 48.4 -64.2 -33.1 13.5 32.1 57.3 191 198 A S H X S+ 0 0 45 -4,-3.0 4,-2.4 -5,-0.3 5,-0.3 0.940 112.9 49.0 -76.8 -37.0 15.5 35.1 56.0 192 199 A V H X>S+ 0 0 21 -4,-2.9 4,-2.6 -5,-0.2 5,-0.6 0.937 108.3 52.3 -62.5 -42.0 17.9 34.9 58.8 193 200 A A H X5S+ 0 0 0 -4,-2.7 6,-2.2 -5,-0.3 4,-1.2 0.889 111.7 48.2 -66.5 -32.3 18.5 31.2 58.5 194 201 A E H X5S+ 0 0 94 -4,-1.8 4,-1.2 -5,-0.3 -2,-0.2 0.993 118.2 36.5 -69.5 -57.2 19.3 31.7 54.8 195 202 A R H <5S+ 0 0 80 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.828 131.2 25.2 -65.6 -37.1 21.8 34.6 55.1 196 203 A D H <5S+ 0 0 81 -4,-2.6 -3,-0.2 -5,-0.3 -1,-0.2 0.624 130.5 32.2-115.3 -14.8 23.5 33.7 58.3 197 204 A L H <> - 0 0 40 -2,-0.3 3,-1.4 1,-0.1 4,-0.8 -0.794 28.8-118.4 -97.0 139.7 6.9 30.5 52.6 205 212 A P H >> S+ 0 0 11 0, 0.0 4,-2.0 0, 0.0 3,-1.0 0.879 116.6 55.8 -44.9 -39.5 5.6 32.4 55.6 206 213 A E H 34 S+ 0 0 110 1,-0.2 -23,-0.0 2,-0.2 -3,-0.0 0.827 98.7 59.8 -61.9 -38.6 2.1 31.9 54.1 207 214 A D H <4 S+ 0 0 6 -3,-1.4 7,-0.4 1,-0.2 -1,-0.2 0.698 112.7 38.7 -59.6 -26.0 2.5 28.1 54.0 208 215 A V H << S+ 0 0 2 -3,-1.0 2,-1.8 -4,-0.8 -2,-0.2 0.777 95.8 75.5-104.1 -35.4 3.0 28.0 57.8 209 216 A D S < S+ 0 0 57 -4,-2.0 -1,-0.2 3,-0.1 -26,-0.1 -0.562 76.1 105.9 -84.1 75.9 0.6 30.6 59.3 210 217 A V S S- 0 0 53 -2,-1.8 -55,-0.1 -3,-0.1 -3,-0.0 -0.930 88.2 -97.6-143.9 161.4 -2.5 28.5 58.9 211 218 A P S S+ 0 0 102 0, 0.0 -56,-0.1 0, 0.0 -1,-0.1 0.892 116.2 23.4 -52.1 -45.0 -4.6 26.5 61.2 212 219 A Q S S- 0 0 96 -61,-0.1 3,-0.1 -3,-0.1 -3,-0.1 -0.715 77.4-153.6-129.9 87.1 -2.8 23.2 60.4 213 220 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 -61,-0.1 -0.236 36.9 -98.2 -51.0 133.1 0.7 23.5 59.1 214 221 A D > - 0 0 15 -7,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.515 30.7-145.6 -53.4 115.5 1.7 20.5 56.9 215 222 A E H > S+ 0 0 76 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.911 91.3 48.6 -62.1 -44.4 3.7 18.1 59.1 216 223 A K H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.915 110.5 50.1 -69.9 -36.3 6.1 16.8 56.5 217 224 A S H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.939 111.4 48.6 -69.7 -38.6 7.0 20.1 55.1 218 225 A I H X S+ 0 0 3 -4,-1.9 4,-3.0 -68,-0.3 -1,-0.2 0.913 111.5 50.6 -63.6 -46.4 7.7 21.4 58.6 219 226 A I H X S+ 0 0 5 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.872 108.1 52.4 -58.0 -41.0 9.8 18.4 59.3 220 227 A T H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.917 114.0 42.3 -58.0 -48.6 11.8 18.9 56.1 221 228 A Y H X S+ 0 0 1 -4,-2.2 4,-1.5 2,-0.2 3,-0.4 0.940 115.0 49.5 -66.4 -45.2 12.6 22.5 56.9 222 229 A V H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.3 3,-0.3 0.877 106.3 57.0 -66.2 -30.7 13.3 21.8 60.6 223 230 A S H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.3 0.842 103.2 55.2 -59.1 -41.1 15.6 18.9 59.7 224 231 A S H X S+ 0 0 12 -4,-1.4 4,-1.0 -3,-0.4 -1,-0.2 0.816 107.0 49.0 -63.5 -39.2 17.5 21.4 57.6 225 232 A L H >X S+ 0 0 1 -4,-1.5 4,-1.3 -3,-0.3 3,-1.1 0.948 107.8 54.2 -55.4 -57.2 17.9 23.6 60.7 226 233 A Y H >< S+ 0 0 30 -4,-2.4 3,-0.5 1,-0.3 -2,-0.2 0.857 104.1 56.6 -45.7 -44.2 19.1 20.6 62.7 227 234 A D H 3< S+ 0 0 79 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.841 109.7 45.7 -61.9 -33.6 21.7 20.0 60.1 228 235 A A H << S+ 0 0 45 -3,-1.1 -1,-0.2 -4,-1.0 -2,-0.2 0.667 131.4 12.0 -80.6 -18.7 23.0 23.6 60.5 229 236 A M << 0 0 8 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 -0.421 360.0 360.0-163.8 71.8 23.2 23.6 64.4 230 237 A P 0 0 109 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.876 360.0 360.0 -77.1 360.0 22.7 20.3 66.2