==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 20-SEP-07 2RCI . COMPND 2 MOLECULE: TYPE-2BA CYTOLYTIC DELTA-ENDOTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THURINGIENSIS SEROVAR . AUTHOR O.DYM,ISRAEL STRUCTURAL PROTEOMICS CENTER (ISPC) . 188 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 27.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 1 0.5 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 . 10 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 25.0 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+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 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 2 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 41 A T 0 0 103 0, 0.0 112,-0.1 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 105.9 13.4 24.4 12.9 2 42 A N + 0 0 37 112,-0.1 2,-0.3 2,-0.1 128,-0.2 0.359 360.0 76.6-100.7 9.6 15.6 26.3 10.5 3 43 A F S S- 0 0 3 126,-0.1 2,-0.9 129,-0.0 128,-0.3 -0.868 82.5-121.1-114.9 148.4 17.2 28.6 13.1 4 44 A N E -a 131 0A 33 126,-2.6 128,-2.6 -2,-0.3 2,-0.4 -0.834 45.2-145.5 -80.3 107.3 19.9 28.0 15.7 5 45 A E E -a 132 0A 57 -2,-0.9 2,-0.5 126,-0.2 128,-0.2 -0.661 22.6-176.2 -90.1 131.5 17.6 29.0 18.6 6 46 A I E -a 133 0A 30 126,-3.0 128,-2.2 -2,-0.4 2,-0.6 -0.954 7.7-162.8-129.8 111.1 19.1 30.8 21.6 7 47 A F E +a 134 0A 79 -2,-0.5 2,-0.2 126,-0.2 128,-0.2 -0.823 17.2 171.4 -98.7 121.6 16.7 31.4 24.5 8 48 A Y E +a 135 0A 60 126,-2.8 128,-2.7 -2,-0.6 2,-0.3 -0.689 44.4 112.2-122.7 76.3 17.8 34.0 27.0 9 49 A V S S- 0 0 28 126,-0.2 128,-0.1 -2,-0.2 5,-0.1 -0.953 73.1 -94.4-141.4 157.6 14.5 34.2 29.0 10 50 A E > - 0 0 86 -2,-0.3 3,-2.1 126,-0.1 4,-0.3 -0.487 42.7-114.3 -67.5 147.2 13.1 33.3 32.4 11 51 A P G > S+ 0 0 106 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.831 114.4 63.3 -55.7 -34.4 11.4 29.9 32.5 12 52 A Q G 3 S+ 0 0 128 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.655 106.4 45.8 -65.7 -15.7 8.0 31.4 33.1 13 53 A Y G <> S+ 0 0 40 -3,-2.1 4,-1.8 1,-0.1 3,-0.3 0.321 79.5 101.5-109.8 5.1 8.3 33.1 29.7 14 54 A I H <> S+ 0 0 72 -3,-1.7 4,-2.6 -4,-0.3 5,-0.2 0.859 76.9 61.2 -55.7 -39.4 9.5 30.1 27.7 15 55 A A H > S+ 0 0 68 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.931 105.9 45.5 -52.1 -51.6 5.9 29.6 26.3 16 56 A Q H > S+ 0 0 1 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.900 111.8 52.1 -62.6 -43.9 6.0 33.1 24.7 17 57 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.906 110.3 48.6 -56.9 -43.0 9.5 32.5 23.3 18 58 A I H X S+ 0 0 79 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.925 111.3 50.0 -64.3 -44.7 8.4 29.2 21.8 19 59 A R H X S+ 0 0 93 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.946 114.6 43.1 -58.9 -50.7 5.3 30.8 20.2 20 60 A L H X S+ 0 0 1 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.868 113.1 51.1 -68.3 -39.3 7.3 33.7 18.6 21 61 A T H X S+ 0 0 1 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.2 0.940 111.2 49.9 -60.7 -47.1 10.1 31.4 17.4 22 62 A N H >< S+ 0 0 102 -4,-2.8 3,-0.9 -5,-0.2 4,-0.4 0.891 106.7 56.0 -55.3 -41.2 7.5 29.2 15.8 23 63 A T H >< S+ 0 0 54 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.888 102.9 54.6 -63.5 -40.8 5.9 32.2 14.2 24 64 A F H >< S+ 0 0 0 -4,-1.7 3,-1.9 1,-0.3 -1,-0.2 0.612 83.9 81.7 -73.7 -12.1 9.2 33.2 12.5 25 65 A Q G X< S+ 0 0 43 -3,-0.9 3,-1.9 -4,-0.8 -1,-0.3 0.840 81.1 72.0 -52.1 -31.8 9.6 29.8 10.8 26 66 A G G < S+ 0 0 41 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.632 85.2 64.0 -61.1 -17.4 7.1 31.4 8.3 27 67 A A G < S+ 0 0 1 -3,-1.9 9,-3.2 -4,-0.1 2,-0.5 0.456 80.1 101.3 -86.2 -1.3 9.9 33.7 7.0 28 68 A I B < S-G 35 0B 20 -3,-1.9 7,-0.2 7,-0.2 6,-0.1 -0.736 77.7-123.8 -86.2 123.9 12.0 30.7 5.7 29 69 A D > - 0 0 55 5,-2.9 4,-1.3 -2,-0.5 -2,-0.1 -0.514 18.1-136.3 -63.0 131.2 11.8 30.0 1.9 30 70 A P T 4 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.727 95.9 32.6 -67.2 -19.1 10.7 26.4 1.5 31 71 A L T 4 S+ 0 0 157 3,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.874 128.9 28.0-103.5 -52.4 13.2 25.7 -1.2 32 72 A T T 4 S- 0 0 73 2,-0.1 3,-0.1 84,-0.0 -4,-0.0 0.706 90.4-139.0 -81.1 -23.8 16.4 27.7 -0.7 33 73 A L < + 0 0 53 -4,-1.3 2,-0.1 1,-0.2 83,-0.0 0.654 53.1 145.5 64.4 19.1 15.8 27.7 3.1 34 74 A N - 0 0 23 1,-0.1 -5,-2.9 -6,-0.1 2,-0.4 -0.350 57.0-104.5 -72.9 165.3 17.0 31.3 3.0 35 75 A F B -G 28 0B 1 -7,-0.2 2,-0.8 -3,-0.1 -7,-0.2 -0.813 27.7-143.0 -91.9 129.6 15.4 33.9 5.4 36 76 A N > - 0 0 61 -9,-3.2 4,-2.6 -2,-0.4 5,-0.2 -0.875 10.7-167.1-100.0 108.4 12.9 36.2 3.6 37 77 A F H > S+ 0 0 29 -2,-0.8 4,-2.7 2,-0.2 5,-0.2 0.892 88.3 52.1 -58.4 -45.5 13.2 39.8 5.1 38 78 A E H > S+ 0 0 136 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.929 112.8 45.2 -60.9 -46.6 10.0 41.0 3.5 39 79 A K H > S+ 0 0 101 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.888 110.0 54.2 -64.6 -41.1 8.1 38.0 4.9 40 80 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 -13,-0.2 -2,-0.2 0.917 109.7 48.5 -59.7 -41.1 9.7 38.4 8.4 41 81 A L H X S+ 0 0 56 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.883 109.3 52.0 -65.8 -37.7 8.5 42.1 8.4 42 82 A Q H X S+ 0 0 115 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.944 111.4 48.2 -60.2 -45.3 5.0 41.0 7.3 43 83 A I H >X S+ 0 0 23 -4,-2.8 3,-0.8 2,-0.2 4,-0.6 0.945 110.5 50.0 -61.0 -49.0 5.0 38.5 10.2 44 84 A A H >< S+ 0 0 6 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.907 107.9 55.6 -53.7 -44.2 6.3 41.2 12.7 45 85 A N H 3< S+ 0 0 139 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.762 105.2 52.8 -59.0 -31.1 3.4 43.5 11.4 46 86 A G H << S+ 0 0 62 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.560 84.9 107.4 -84.4 -8.3 0.8 40.9 12.2 47 87 A L X< - 0 0 25 -3,-1.3 3,-0.7 -4,-0.6 2,-0.1 -0.524 69.8-123.0 -78.7 136.0 1.9 40.4 15.8 48 88 A P T 3 S+ 0 0 81 0, 0.0 137,-0.2 0, 0.0 3,-0.1 -0.405 88.5 5.5 -71.7 150.6 -0.3 41.8 18.6 49 89 A N T 3 S+ 0 0 130 1,-0.2 136,-2.2 135,-0.1 2,-0.3 0.856 107.3 126.2 51.9 41.0 1.1 44.3 21.2 50 90 A A E < -B 184 0A 37 -3,-0.7 2,-0.3 134,-0.2 134,-0.2 -0.896 38.6-176.4-134.0 156.2 4.3 44.4 19.2 51 91 A G E -B 183 0A 32 132,-2.3 132,-3.0 -2,-0.3 2,-0.5 -0.990 28.8-117.0-150.2 155.7 6.8 46.8 17.6 52 92 A V E -B 182 0A 67 -2,-0.3 130,-0.3 130,-0.2 3,-0.1 -0.796 24.4-179.6 -95.8 124.8 10.0 46.6 15.5 53 93 A T E - 0 0 49 128,-2.4 2,-0.3 -2,-0.5 129,-0.1 0.416 65.0 -1.5-102.6 -4.3 13.0 48.2 17.2 54 94 A G E -B 181 0A 17 127,-0.9 127,-2.5 28,-0.1 2,-0.3 -0.878 55.9-174.8-179.3 150.4 15.6 47.6 14.5 55 95 A T E -B 180 0A 72 -2,-0.3 2,-0.3 125,-0.2 125,-0.2 -0.974 3.1-175.1-147.0 159.6 16.3 46.1 11.1 56 96 A I E +B 179 0A 24 123,-2.2 123,-2.5 -2,-0.3 2,-0.1 -0.954 9.6 167.4-151.5 146.4 19.1 45.5 8.7 57 97 A N E +B 178 0A 70 -2,-0.3 2,-0.3 121,-0.2 121,-0.2 -0.513 48.5 78.5-158.8 77.4 19.1 44.0 5.2 58 98 A Q E S-B 177 0A 114 119,-2.0 119,-2.6 -2,-0.1 2,-0.2 -0.983 82.7 -67.0-170.7 170.0 22.4 44.6 3.5 59 99 A S E +B 176 0A 56 -2,-0.3 117,-0.3 117,-0.3 3,-0.1 -0.468 39.0 176.9 -70.6 140.4 26.0 43.5 3.1 60 100 A V E + 0 0 26 115,-3.2 2,-0.3 1,-0.4 116,-0.2 0.575 65.3 32.2-124.2 -19.4 28.1 44.0 6.2 61 101 A I E +B 175 0A 4 114,-1.5 114,-2.6 4,-0.0 -1,-0.4 -0.992 50.3 156.2-138.6 137.4 31.5 42.6 5.3 62 102 A H E +B 174 0A 98 -2,-0.3 2,-0.3 112,-0.2 112,-0.2 -0.445 51.9 63.6-155.9 75.4 33.2 42.4 1.9 63 103 A Q E S-B 173 0A 88 110,-1.8 110,-2.7 108,-0.1 2,-0.4 -0.976 90.2 -65.2-171.0 172.7 37.0 42.1 2.4 64 104 A T E +B 172 0A 88 -2,-0.3 2,-0.3 108,-0.3 108,-0.2 -0.677 67.6 158.8 -72.4 129.8 39.9 40.2 3.6 65 105 A I E -B 171 0A 9 106,-2.1 106,-1.8 -2,-0.4 2,-0.3 -0.990 47.1-106.2-155.6 148.3 39.4 40.1 7.4 66 106 A E E > -B 170 0A 66 -2,-0.3 4,-2.3 104,-0.2 3,-0.4 -0.647 34.3-125.9 -76.6 140.2 40.5 38.1 10.4 67 107 A V H > S+ 0 0 0 102,-3.0 4,-2.5 99,-0.3 5,-0.2 0.900 109.4 53.1 -56.2 -47.7 37.6 36.1 11.6 68 108 A S H > S+ 0 0 29 99,-2.7 4,-2.1 101,-0.3 -1,-0.2 0.894 109.1 49.1 -53.0 -42.5 37.8 37.5 15.2 69 109 A V H > S+ 0 0 67 -3,-0.4 4,-2.3 98,-0.3 -1,-0.2 0.897 110.7 51.1 -66.5 -39.9 37.7 41.1 13.8 70 110 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.921 108.9 50.8 -60.4 -45.6 34.6 40.2 11.7 71 111 A I H X S+ 0 0 10 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.895 110.0 50.2 -59.4 -45.6 32.9 38.7 14.8 72 112 A S H X S+ 0 0 72 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.896 110.5 50.1 -59.7 -45.6 33.6 41.9 16.8 73 113 A Q H X S+ 0 0 78 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.921 111.0 48.3 -57.5 -45.3 32.1 44.0 13.9 74 114 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.881 106.4 57.3 -69.9 -34.6 29.0 41.8 13.8 75 115 A K H X S+ 0 0 59 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.925 108.1 47.9 -56.3 -43.7 28.6 42.1 17.6 76 116 A E H X S+ 0 0 99 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.887 109.9 51.8 -67.5 -35.7 28.5 45.9 17.2 77 117 A I H X S+ 0 0 39 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.943 109.6 49.8 -65.2 -44.6 25.9 45.6 14.4 78 118 A I H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.909 105.6 57.0 -59.0 -44.6 23.7 43.4 16.6 79 119 A R H X S+ 0 0 99 -4,-2.5 4,-0.8 1,-0.2 5,-0.4 0.934 111.8 43.4 -48.2 -47.0 24.0 46.0 19.4 80 120 A S H >< S+ 0 0 96 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.929 113.0 49.8 -65.3 -45.6 22.6 48.5 16.9 81 121 A V H 3< S+ 0 0 8 -4,-2.7 100,-0.3 1,-0.2 -1,-0.2 0.766 99.1 67.1 -70.8 -26.5 19.9 46.3 15.5 82 122 A L H 3< S- 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.856 79.9-161.2 -61.3 -36.7 18.6 45.3 19.0 83 123 A G << + 0 0 46 -3,-0.8 2,-0.3 -4,-0.8 -3,-0.1 0.707 64.0 87.0 56.1 21.8 17.4 48.9 19.6 84 124 A L S S- 0 0 47 -5,-0.4 2,-0.7 2,-0.0 -1,-0.2 -0.957 81.2-124.1-140.2 146.1 17.4 48.0 23.3 85 125 A V - 0 0 109 -2,-0.3 2,-0.7 54,-0.2 -6,-0.0 -0.872 24.8-171.7 -97.2 111.8 20.3 48.3 25.7 86 126 A I - 0 0 6 -2,-0.7 6,-0.1 1,-0.1 -2,-0.0 -0.927 5.9-172.1-105.4 114.1 21.0 44.9 27.4 87 127 A N + 0 0 123 -2,-0.7 -1,-0.1 4,-0.0 2,-0.1 0.729 46.1 116.5 -76.8 -24.2 23.6 45.4 30.1 88 128 A S > - 0 0 16 1,-0.2 4,-2.1 2,-0.1 5,-0.1 -0.239 51.4-158.9 -59.4 117.3 24.1 41.6 30.9 89 129 A A H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.856 96.1 54.2 -58.5 -37.1 27.6 40.3 30.2 90 130 A N H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.890 105.2 51.3 -70.1 -39.9 26.1 36.8 30.0 91 131 A F H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.965 112.3 46.8 -56.8 -50.3 23.5 37.9 27.4 92 132 A W H X S+ 0 0 18 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.836 108.0 57.0 -63.4 -30.8 26.3 39.3 25.3 93 133 A N H X S+ 0 0 114 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.910 106.3 49.9 -59.3 -46.5 28.3 36.1 25.9 94 134 A S H X S+ 0 0 39 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.912 112.5 47.9 -56.2 -45.6 25.4 34.1 24.3 95 135 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.955 113.0 45.9 -63.3 -50.3 25.4 36.5 21.4 96 136 A V H X S+ 0 0 42 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.879 111.3 52.3 -66.2 -38.2 29.2 36.3 20.8 97 137 A S H X S+ 0 0 62 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.914 111.1 48.6 -59.5 -45.2 29.2 32.5 21.1 98 138 A A H < S+ 0 0 5 -4,-2.0 4,-0.4 -5,-0.2 -2,-0.2 0.916 112.3 47.3 -62.6 -44.0 26.4 32.3 18.5 99 139 A I H >X S+ 0 0 0 -4,-2.6 3,-1.2 2,-0.2 4,-0.7 0.917 111.6 52.2 -62.4 -42.5 28.3 34.7 16.1 100 140 A T H >X S+ 0 0 28 -4,-2.8 4,-2.1 1,-0.3 3,-1.1 0.915 107.3 51.6 -60.0 -43.3 31.5 32.7 16.6 101 141 A N H 3< S+ 0 0 40 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.553 97.8 68.4 -72.7 -3.2 29.7 29.5 15.7 102 142 A T H <4 S+ 0 0 0 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.795 118.8 19.3 -79.2 -27.4 28.4 31.1 12.5 103 143 A F H << S+ 0 0 0 -3,-1.1 2,-0.2 -4,-0.7 -2,-0.2 0.572 128.1 36.6-118.1 -22.3 32.0 31.2 11.1 104 144 A T S < S+ 0 0 8 -4,-2.1 62,-0.1 -5,-0.2 60,-0.1 -0.772 95.9 43.8-133.2 176.2 33.9 28.6 13.2 105 145 A N S > S+ 0 0 91 60,-0.6 4,-0.5 -2,-0.2 -1,-0.2 0.870 70.5 144.4 50.0 37.3 33.4 25.2 14.8 106 146 A L T >4 + 0 0 0 56,-0.4 3,-0.5 59,-0.2 4,-0.5 0.801 50.5 72.9 -76.8 -29.1 31.6 24.4 11.5 107 147 A E G >4 S+ 0 0 90 56,-1.4 3,-1.4 1,-0.2 4,-0.2 0.940 100.6 42.0 -53.3 -54.0 32.8 20.7 11.4 108 148 A P G 34 S+ 0 0 86 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.745 118.0 48.8 -62.2 -21.2 30.3 19.6 14.3 109 149 A Q G X< S+ 0 0 15 -3,-0.5 3,-2.4 -4,-0.5 -2,-0.2 0.388 76.6 113.7 -96.5 3.6 27.5 21.7 12.8 110 150 A V T < S+ 0 0 31 -3,-1.4 -1,-0.2 -4,-0.5 7,-0.2 0.779 84.9 31.4 -55.7 -36.8 28.0 20.4 9.2 111 151 A D T 3 S+ 0 0 150 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.234 89.6 126.0-105.6 12.3 24.6 18.6 9.0 112 152 A E X - 0 0 87 -3,-2.4 3,-1.3 1,-0.1 -108,-0.1 -0.375 66.6-123.4 -75.1 152.7 22.6 20.9 11.2 113 153 A N T 3 S+ 0 0 100 1,-0.3 -1,-0.1 -110,-0.1 -109,-0.1 0.789 105.3 63.9 -66.6 -28.1 19.3 22.4 9.9 114 154 A W T 3 S+ 0 0 40 -111,-0.1 16,-1.8 15,-0.1 2,-0.4 0.488 95.3 66.1 -78.6 -6.6 20.4 25.9 10.6 115 155 A I E < -C 129 0A 10 -3,-1.3 2,-0.5 14,-0.2 14,-0.2 -0.966 64.3-167.6-115.4 138.4 23.3 25.8 8.1 116 156 A V E -C 128 0A 23 12,-2.3 12,-1.9 -2,-0.4 2,-0.2 -0.952 12.6-145.9-128.4 109.1 22.6 25.5 4.4 117 157 A W E +C 127 0A 49 -2,-0.5 10,-0.2 10,-0.2 3,-0.1 -0.578 28.5 161.0 -75.5 138.1 25.5 24.7 2.1 118 158 A R E + 0 0 87 8,-2.7 2,-0.2 1,-0.4 9,-0.1 0.363 57.4 22.3-119.0-104.3 25.3 26.3 -1.4 119 159 A N E + 0 0 72 1,-0.1 7,-2.5 6,-0.0 -1,-0.4 -0.469 56.5 174.1 -71.2 133.4 28.4 26.7 -3.6 120 160 A L E +C 125 0A 78 5,-0.2 5,-0.2 -2,-0.2 -1,-0.1 -0.343 22.3 150.0-136.5 55.8 31.2 24.3 -2.7 121 161 A S - 0 0 36 3,-1.4 38,-0.4 1,-0.1 36,-0.0 -0.124 62.3 -98.9 -85.2 179.6 33.8 24.8 -5.4 122 162 A A S S+ 0 0 89 1,-0.2 36,-0.3 36,-0.1 3,-0.1 0.779 123.1 32.3 -66.1 -24.7 37.6 24.5 -5.3 123 163 A T S S+ 0 0 110 1,-0.2 2,-0.3 34,-0.1 -1,-0.2 0.559 122.2 30.7-112.4 -11.8 38.0 28.2 -4.8 124 164 A Q - 0 0 72 32,-0.2 -3,-1.4 2,-0.0 2,-0.4 -1.000 49.6-159.9-153.9 146.3 34.9 29.3 -2.8 125 165 A T E -CD 120 155A 0 30,-2.7 30,-2.9 -2,-0.3 2,-0.4 -0.988 14.2-175.5-123.6 134.6 32.3 28.2 -0.2 126 166 A S E + D 0 154A 9 -7,-2.5 -8,-2.7 -2,-0.4 2,-0.3 -0.986 11.2 157.8-127.8 147.2 28.9 29.8 0.3 127 167 A Y E -CD 117 153A 1 26,-2.8 26,-3.1 -2,-0.4 2,-0.4 -0.985 35.3-122.9-154.6 161.7 26.3 29.1 2.9 128 168 A F E -CD 116 152A 11 -12,-1.9 -12,-2.3 -2,-0.3 2,-0.4 -0.883 25.3-172.3-101.9 147.0 23.3 30.4 4.8 129 169 A Y E -CD 115 151A 0 22,-1.9 22,-3.1 -2,-0.4 2,-0.4 -0.990 3.5-165.6-142.6 130.4 23.4 30.5 8.6 130 170 A K E + D 0 150A 0 -16,-1.8 -126,-2.6 -2,-0.4 2,-0.3 -0.965 8.6 177.5-128.4 133.5 20.4 31.3 10.7 131 171 A I E -aD 4 149A 1 18,-2.9 18,-3.3 -2,-0.4 2,-0.4 -0.942 9.4-163.5-129.6 145.8 20.1 32.3 14.4 132 172 A L E -aD 5 148A 1 -128,-2.6 -126,-3.0 -2,-0.3 2,-0.5 -0.918 6.9-164.9-136.0 114.5 17.0 33.3 16.5 133 173 A F E -aD 6 147A 0 14,-2.4 14,-2.9 -2,-0.4 2,-0.5 -0.819 5.8-166.4 -95.1 131.4 17.4 35.0 19.8 134 174 A S E -aD 7 146A 1 -128,-2.2 -126,-2.8 -2,-0.5 2,-0.4 -0.972 19.0-170.5-108.1 133.9 14.5 35.2 22.4 135 175 A I E +aD 8 145A 0 10,-2.8 10,-2.9 -2,-0.5 2,-0.3 -0.981 20.2 152.6-138.4 127.0 15.4 37.7 25.0 136 176 A Q + 0 0 8 -128,-2.7 2,-0.3 -2,-0.4 -126,-0.1 -0.914 23.3 112.8-154.4 121.0 13.8 38.7 28.3 137 177 A N S > S- 0 0 14 -2,-0.3 3,-2.0 6,-0.3 4,-0.5 -0.900 79.6 -56.1-164.4-166.1 15.4 40.1 31.4 138 178 A E G > S+ 0 0 141 1,-0.3 3,-0.9 -2,-0.3 4,-0.1 0.828 129.6 55.1 -56.2 -33.1 15.6 43.3 33.5 139 179 A D G 3 S+ 0 0 51 1,-0.2 -1,-0.3 2,-0.1 -54,-0.2 0.460 103.1 54.6 -85.3 -0.8 16.6 45.4 30.5 140 180 A T G X S- 0 0 7 -3,-2.0 3,-2.1 1,-0.2 -1,-0.2 0.404 85.1-177.4-103.7 -0.6 13.6 44.3 28.4 141 181 A G T < + 0 0 48 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.1 -0.094 68.4 1.4 45.8-123.2 11.1 45.4 31.2 142 182 A R T 3 S+ 0 0 86 -4,-0.1 44,-2.9 43,-0.1 2,-0.3 0.258 125.8 73.5 -76.1 11.5 7.5 44.6 30.3 143 183 A F E < - E 0 185A 89 -3,-2.1 2,-0.4 42,-0.3 -6,-0.3 -0.830 64.9-140.4-129.7 157.0 8.6 43.0 27.0 144 184 A M E - E 0 184A 0 40,-2.7 40,-2.3 -2,-0.3 2,-0.4 -0.973 23.9-147.8-108.7 140.7 10.2 40.1 25.2 145 185 A A E -DE 135 183A 1 -10,-2.9 -10,-2.8 -2,-0.4 2,-0.5 -0.887 7.9-163.6-106.7 137.0 12.5 40.8 22.3 146 186 A I E -DE 134 182A 1 36,-2.8 36,-2.5 -2,-0.4 -12,-0.2 -0.984 5.9-175.5-120.8 125.3 12.8 38.4 19.3 147 187 A L E -D 133 0A 2 -14,-2.9 -14,-2.4 -2,-0.5 2,-0.4 -0.842 3.0-172.0-128.0 89.1 15.8 38.8 17.0 148 188 A P E -D 132 0A 0 0, 0.0 32,-1.4 0, 0.0 2,-0.4 -0.703 12.0-172.1 -74.0 133.3 15.9 36.5 13.9 149 189 A I E -DF 131 179A 0 -18,-3.3 -18,-2.9 -2,-0.4 2,-0.4 -0.996 9.1-176.1-130.5 127.4 19.2 36.8 12.1 150 190 A A E -DF 130 178A 1 28,-2.9 28,-2.3 -2,-0.4 2,-0.4 -0.983 5.5-164.9-119.3 135.6 20.2 35.3 8.7 151 191 A F E -DF 129 177A 0 -22,-3.1 -22,-1.9 -2,-0.4 2,-0.6 -0.932 12.6-157.4-113.4 143.3 23.6 35.5 7.1 152 192 A E E -DF 128 176A 58 24,-2.3 24,-2.5 -2,-0.4 2,-0.5 -0.984 27.1-170.0-110.5 113.5 24.5 34.8 3.5 153 193 A I E +DF 127 175A 1 -26,-3.1 -26,-2.8 -2,-0.6 2,-0.4 -0.928 18.2 177.1-117.7 126.2 28.2 34.0 3.7 154 194 A T E +DF 126 174A 34 20,-2.5 20,-2.7 -2,-0.5 2,-0.3 -0.996 12.1 176.2-122.6 130.2 30.6 33.5 0.8 155 195 A V E -DF 125 173A 1 -30,-2.9 -30,-2.7 -2,-0.4 2,-1.5 -0.994 38.3-124.3-139.8 143.2 34.3 32.9 1.6 156 196 A D S S+ 0 0 88 16,-1.8 2,-0.4 -2,-0.3 -32,-0.2 -0.165 80.3 100.5 -81.1 46.2 37.4 32.2 -0.6 157 197 A V S S- 0 0 26 -2,-1.5 -2,-0.2 -32,-0.2 -34,-0.1 -0.991 76.7-116.2-132.1 132.7 38.2 29.0 1.2 158 198 A Q >> - 0 0 53 -2,-0.4 4,-2.3 -36,-0.3 3,-1.2 -0.402 34.5-110.2 -74.6 148.5 37.3 25.5 0.1 159 199 A K H 3> S+ 0 0 41 -38,-0.4 4,-2.2 1,-0.3 5,-0.2 0.828 111.9 58.0 -48.4 -45.9 34.9 23.6 2.4 160 200 A Q H 34 S+ 0 0 113 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.835 114.2 39.0 -55.8 -38.0 37.3 21.0 3.9 161 201 A Q H X4 S+ 0 0 123 -3,-1.2 3,-1.9 1,-0.2 4,-0.2 0.853 111.0 59.0 -77.5 -40.0 39.5 23.8 5.2 162 202 A L H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.3 -56,-0.4 0.828 93.2 67.7 -57.8 -33.3 36.6 26.0 6.2 163 203 A L T 3< S+ 0 0 16 -4,-2.2 -56,-1.4 1,-0.3 -1,-0.3 0.679 111.3 34.5 -62.1 -15.9 35.3 23.2 8.5 164 204 A F T < S+ 0 0 133 -3,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.251 84.8 134.0-122.0 10.2 38.4 23.9 10.6 165 205 A I < - 0 0 14 -3,-1.4 -60,-0.6 -4,-0.2 -59,-0.2 -0.310 40.1-152.7 -64.2 144.8 38.8 27.7 10.2 166 206 A T > - 0 0 68 -62,-0.1 3,-1.4 -61,-0.1 -99,-0.3 -0.688 30.6-101.8-117.5 171.6 39.5 29.5 13.5 167 207 A I T 3 S+ 0 0 67 1,-0.3 -99,-2.7 -2,-0.2 -98,-0.3 0.734 121.1 55.9 -67.1 -19.2 38.9 33.0 14.9 168 208 A K T 3 S+ 0 0 149 -101,-0.2 -1,-0.3 -102,-0.1 2,-0.1 0.548 90.4 93.3 -89.1 -6.8 42.6 33.8 14.3 169 209 A D < - 0 0 69 -3,-1.4 -102,-3.0 -103,-0.1 2,-0.3 -0.445 63.2-146.2 -83.8 158.4 42.5 32.9 10.6 170 210 A S E +B 66 0A 71 -104,-0.3 2,-0.3 -2,-0.1 -104,-0.2 -0.927 25.2 153.7-122.4 150.0 41.8 35.4 7.8 171 211 A A E -B 65 0A 7 -106,-1.8 -106,-2.1 -2,-0.3 2,-0.8 -0.957 51.6 -84.0-161.2 173.6 40.0 35.0 4.5 172 212 A R E -B 64 0A 118 -2,-0.3 -16,-1.8 -108,-0.2 2,-0.4 -0.808 53.3-170.8 -93.5 111.1 38.1 37.0 2.0 173 213 A Y E -BF 63 155A 0 -110,-2.7 -110,-1.8 -2,-0.8 2,-0.5 -0.885 23.9-171.8-108.0 137.4 34.5 37.2 3.3 174 214 A E E +BF 62 154A 81 -20,-2.7 -20,-2.5 -2,-0.4 2,-0.5 -0.983 20.1 178.5-120.1 113.9 31.3 38.5 1.7 175 215 A V E -BF 61 153A 0 -114,-2.6 -115,-3.2 -2,-0.5 -114,-1.5 -0.973 13.7-169.2-125.9 119.6 28.6 38.5 4.4 176 216 A K E -BF 59 152A 69 -24,-2.5 -24,-2.3 -2,-0.5 2,-0.4 -0.899 13.9-159.1-103.9 134.4 25.0 39.7 3.8 177 217 A M E -BF 58 151A 0 -119,-2.6 -119,-2.0 -2,-0.4 2,-0.4 -0.966 15.2-178.2-120.2 134.4 22.9 40.2 6.9 178 218 A K E +BF 57 150A 30 -28,-2.3 -28,-2.9 -2,-0.4 2,-0.3 -0.995 25.8 144.7-127.8 122.4 19.1 40.2 7.3 179 219 A A E -BF 56 149A 1 -123,-2.5 -123,-2.2 -2,-0.4 2,-0.3 -0.993 23.4-175.2-153.5 154.0 17.8 40.8 10.8 180 220 A L E -B 55 0A 0 -32,-1.4 2,-0.5 -2,-0.3 -125,-0.2 -0.982 16.6-143.6-146.0 152.6 15.0 42.5 12.7 181 221 A T E -B 54 0A 0 -127,-2.5 -128,-2.4 -2,-0.3 -127,-0.9 -0.985 19.4-176.1-114.0 125.7 14.2 43.0 16.4 182 222 A V E -BE 52 146A 2 -36,-2.5 -36,-2.8 -2,-0.5 2,-0.4 -0.978 8.8-158.2-117.7 131.6 10.6 42.8 17.4 183 223 A V E -BE 51 145A 18 -132,-3.0 -132,-2.3 -2,-0.4 2,-0.4 -0.908 9.6-173.6-106.2 138.0 9.4 43.5 21.0 184 224 A Q E -BE 50 144A 6 -40,-2.3 -40,-2.7 -2,-0.4 -134,-0.2 -0.989 34.6 -99.8-127.4 138.9 6.1 42.1 22.2 185 225 A A E - E 0 143A 33 -136,-2.2 -42,-0.3 -2,-0.4 2,-0.1 -0.279 55.6 -94.7 -49.6 137.3 4.4 42.8 25.6 186 226 A L - 0 0 33 -44,-2.9 -1,-0.1 1,-0.1 -173,-0.0 -0.438 40.0 -96.2 -61.9 125.4 5.0 39.9 28.0 187 227 A D 0 0 53 -2,-0.1 -1,-0.1 -3,-0.1 -171,-0.0 -0.164 360.0 360.0 10.4 99.0 2.7 37.2 28.5 188 228 A S 0 0 156 -2,-0.0 -1,-0.0 0, 0.0 0, 0.0 -0.932 360.0 360.0 -89.9 360.0 0.3 37.2 31.3