==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-NOV-09 2WXU . COMPND 2 MOLECULE: PHOSPHOLIPASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR S.G.VACHIERI,C.E.NAYLOR,A.K.BASAK . 361 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 13.9 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 1 1 0 0 2 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 3 0 1 0 1 2 1 1 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 2 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 W 0 0 3 0, 0.0 2,-0.1 0, 0.0 144,-0.1 0.000 360.0 360.0 360.0 155.1 18.6 69.1 28.7 2 2 A D + 0 0 48 142,-0.4 9,-2.2 139,-0.1 2,-0.3 -0.428 360.0 165.1 -68.9 150.8 20.8 66.6 27.0 3 3 A G - 0 0 8 7,-0.2 2,-0.3 6,-0.2 6,-0.2 -0.960 27.6-132.0-160.2 153.6 21.5 63.3 28.7 4 4 A K B >> -A 8 0A 134 4,-3.2 3,-2.3 -2,-0.3 4,-0.8 -0.868 26.7-117.4-112.3 151.3 23.0 59.9 27.7 5 5 A I T 34 S+ 0 0 103 -2,-0.3 48,-0.1 1,-0.3 49,-0.1 0.708 111.6 66.1 -59.8 -21.2 21.5 56.5 28.5 6 6 A D T 34 S- 0 0 93 2,-0.1 -1,-0.3 47,-0.1 44,-0.1 0.292 123.9-100.2 -83.2 10.7 24.6 55.6 30.6 7 7 A G T <4 S+ 0 0 3 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.884 84.8 118.7 74.8 39.3 23.6 58.4 33.1 8 8 A T B < +A 4 0A 63 -4,-0.8 -4,-3.2 42,-0.1 -1,-0.3 -0.860 37.1 54.5-127.2 168.1 26.0 61.0 31.9 9 9 A G S >> S- 0 0 7 -2,-0.3 4,-2.6 -6,-0.2 3,-0.7 -0.491 101.3 -31.4 103.5-175.4 25.5 64.5 30.4 10 10 A T H 3> S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 -7,-0.2 0.872 134.0 50.1 -48.2 -49.0 23.8 67.7 31.4 11 11 A H H 3> S+ 0 0 2 -9,-2.2 4,-1.7 -3,-0.2 -1,-0.3 0.881 112.1 48.0 -60.3 -40.0 21.0 65.9 33.3 12 12 A A H <> S+ 0 0 5 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.879 109.5 53.0 -68.2 -39.6 23.4 63.8 35.2 13 13 A M H X S+ 0 0 13 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.912 106.6 54.2 -58.4 -44.4 25.5 66.9 36.1 14 14 A I H X S+ 0 0 2 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.923 113.3 39.6 -59.5 -47.5 22.4 68.6 37.4 15 15 A V H X S+ 0 0 2 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.889 115.7 52.2 -71.0 -35.9 21.5 65.9 39.9 16 16 A T H X S+ 0 0 37 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.921 113.2 44.2 -65.4 -42.3 25.1 65.2 40.8 17 17 A Q H X S+ 0 0 24 -4,-3.0 4,-3.2 1,-0.2 5,-0.3 0.861 105.6 63.6 -67.6 -36.4 25.5 68.9 41.6 18 18 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.904 106.2 44.0 -51.9 -45.6 22.2 68.9 43.4 19 19 A V H X S+ 0 0 3 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.934 113.7 49.0 -67.1 -47.7 23.6 66.5 45.9 20 20 A S H X S+ 0 0 36 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.907 111.7 50.8 -58.3 -43.3 26.9 68.4 46.3 21 21 A I H X S+ 0 0 0 -4,-3.2 4,-2.2 2,-0.2 138,-0.3 0.938 111.1 47.3 -59.0 -49.7 25.0 71.6 46.8 22 22 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.917 110.9 52.7 -60.1 -43.3 22.8 70.1 49.5 23 23 A E H < S+ 0 0 71 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.915 112.5 44.7 -57.0 -46.9 25.9 68.7 51.2 24 24 A N H < S+ 0 0 79 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.841 117.8 43.7 -64.9 -33.5 27.5 72.1 51.2 25 25 A D H < S+ 0 0 2 -4,-2.2 138,-2.3 -5,-0.2 139,-0.3 0.634 80.5 118.9 -91.9 -15.5 24.4 73.9 52.4 26 26 A L < - 0 0 23 -4,-1.8 136,-0.1 136,-0.2 2,-0.0 -0.308 59.2-137.6 -59.4 120.4 23.3 71.5 55.1 27 27 A S > - 0 0 11 -2,-0.1 3,-1.2 1,-0.1 -1,-0.1 -0.297 18.1-111.8 -76.4 166.0 23.3 73.3 58.4 28 28 A K T 3 S+ 0 0 94 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.1 0.834 111.7 61.9 -65.8 -32.3 24.6 71.7 61.7 29 29 A N T 3 S+ 0 0 111 2,-0.0 -1,-0.2 3,-0.0 3,-0.1 0.447 73.3 124.2 -79.4 0.6 21.1 71.5 63.3 30 30 A E S < S- 0 0 11 -3,-1.2 5,-0.1 1,-0.1 134,-0.0 -0.358 73.0 -97.1 -61.8 140.0 19.7 69.1 60.6 31 31 A P >> - 0 0 47 0, 0.0 4,-1.4 0, 0.0 3,-0.6 -0.158 23.2-122.0 -56.3 149.6 18.3 65.9 62.1 32 32 A E H 3> S+ 0 0 132 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.849 111.6 63.6 -58.6 -34.9 20.5 62.8 62.1 33 33 A S H 3> S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.867 101.8 49.6 -60.4 -35.7 17.8 61.0 60.1 34 34 A V H <> S+ 0 0 0 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.909 111.1 47.9 -69.6 -43.5 18.4 63.4 57.2 35 35 A R H X S+ 0 0 69 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.890 112.2 50.9 -62.6 -40.8 22.1 63.0 57.2 36 36 A K H X S+ 0 0 68 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.900 111.6 46.5 -65.5 -41.1 21.7 59.2 57.3 37 37 A N H X S+ 0 0 20 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.866 108.3 56.6 -71.4 -32.7 19.3 59.2 54.4 38 38 A L H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.894 105.2 51.9 -62.8 -39.5 21.6 61.5 52.4 39 39 A E H X S+ 0 0 94 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.909 109.0 49.8 -64.9 -38.6 24.4 59.0 52.8 40 40 A I H X S+ 0 0 31 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.914 109.1 52.9 -63.0 -40.5 22.1 56.3 51.5 41 41 A L H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.922 108.3 49.9 -58.7 -44.3 21.3 58.7 48.6 42 42 A K H >< S+ 0 0 68 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.817 102.1 61.5 -67.4 -29.9 25.0 59.0 47.9 43 43 A E H 3< S+ 0 0 145 -4,-1.8 -1,-0.3 1,-0.3 3,-0.2 0.762 109.4 44.3 -62.0 -24.5 25.4 55.2 47.9 44 44 A N T S+ 0 0 38 -3,-1.3 4,-2.6 1,-0.2 5,-0.2 0.863 71.0 60.9 -57.3 -38.4 24.5 58.1 42.9 46 46 A H H > S+ 0 0 113 1,-0.2 4,-2.7 -3,-0.2 -1,-0.2 0.917 107.1 45.5 -51.6 -51.4 24.6 55.7 39.8 47 47 A E H > S+ 0 0 27 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.820 110.0 53.2 -63.1 -40.4 20.8 55.3 40.0 48 48 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 -7,-0.2 -1,-0.2 0.928 113.4 44.0 -64.2 -43.4 20.2 59.0 40.5 49 49 A Q H X S+ 0 0 46 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.920 114.0 48.6 -66.9 -44.5 22.2 59.8 37.4 50 50 A L H >X S+ 0 0 36 -4,-2.7 4,-2.2 1,-0.2 3,-0.9 0.915 112.8 49.1 -61.6 -42.9 20.6 57.0 35.3 51 51 A G H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.902 103.9 60.0 -62.9 -38.1 17.2 58.1 36.4 52 52 A S H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.694 118.6 29.4 -65.7 -17.9 18.0 61.7 35.5 53 53 A T H X< S+ 0 0 0 -3,-0.9 3,-1.3 -4,-0.8 4,-0.3 0.643 97.5 88.0-111.0 -21.8 18.7 60.7 31.9 54 54 A Y G >X S+ 0 0 75 -4,-2.2 3,-2.9 1,-0.3 4,-0.9 0.807 72.7 67.3 -56.6 -42.3 16.4 57.7 31.4 55 55 A P G 34 S+ 0 0 3 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.795 97.2 57.0 -57.0 -26.0 13.1 59.3 30.2 56 56 A D G <4 S+ 0 0 34 -3,-1.3 -2,-0.2 1,-0.2 -51,-0.1 0.652 115.7 37.4 -70.0 -15.8 14.8 60.5 26.9 57 57 A Y T <4 S+ 0 0 94 -3,-2.9 2,-0.3 -4,-0.3 -1,-0.2 0.340 81.1 127.3-121.0 0.4 15.6 56.8 26.2 58 58 A D >< - 0 0 40 -4,-0.9 3,-2.2 -3,-0.4 237,-0.0 -0.481 56.2-144.2 -62.6 119.8 12.5 55.1 27.5 59 59 A K T 3 S+ 0 0 178 -2,-0.3 -1,-0.2 1,-0.3 236,-0.1 0.752 100.6 56.0 -58.6 -22.8 11.3 52.9 24.6 60 60 A N T 3 S+ 0 0 13 234,-0.1 -1,-0.3 236,-0.1 229,-0.1 0.317 79.0 136.1 -91.9 6.7 7.8 53.7 25.8 61 61 A A < - 0 0 33 -3,-2.2 228,-0.3 1,-0.1 -5,-0.1 -0.120 63.3 -97.7 -55.6 152.2 8.2 57.5 25.5 62 62 A Y > - 0 0 18 226,-0.1 3,-1.8 1,-0.1 226,-0.2 -0.329 41.0-100.0 -68.7 158.9 5.4 59.5 24.0 63 63 A D T 3 S+ 0 0 63 224,-0.8 225,-0.1 1,-0.3 -1,-0.1 0.873 118.3 16.2 -50.0 -55.0 5.8 60.4 20.3 64 64 A L T 3 S- 0 0 104 69,-0.0 -1,-0.3 71,-0.0 4,-0.1 -0.059 109.0-108.3-110.0 30.2 6.9 64.0 20.7 65 65 A Y X + 0 0 92 -3,-1.8 3,-2.4 1,-0.1 4,-0.1 0.837 57.3 167.9 46.1 41.0 7.9 63.6 24.4 66 66 A Q G > + 0 0 91 1,-0.3 3,-1.7 221,-0.2 20,-0.3 0.805 68.6 59.9 -52.3 -37.6 4.8 65.8 25.2 67 67 A D G 3 S+ 0 0 7 1,-0.3 -1,-0.3 18,-0.2 22,-0.3 0.533 92.0 68.2 -75.3 -5.7 5.0 65.0 28.9 68 68 A H G < S+ 0 0 3 -3,-2.4 2,-0.3 -4,-0.1 -1,-0.3 0.414 96.2 72.4 -86.2 1.0 8.5 66.5 29.0 69 69 A F < + 0 0 18 -3,-1.7 17,-2.2 -4,-0.1 2,-0.3 -0.812 54.1 171.9-117.4 156.4 6.9 69.9 28.4 70 70 A W - 0 0 27 58,-0.8 61,-0.2 -2,-0.3 15,-0.0 -0.843 25.2-144.1-164.9 125.4 4.8 72.2 30.6 71 71 A D > - 0 0 35 -2,-0.3 3,-1.4 1,-0.1 59,-0.1 -0.838 11.4-161.3 -91.7 112.6 3.5 75.7 30.1 72 72 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.1 0, 0.0 118,-0.1 0.585 86.0 64.6 -70.1 -10.5 3.6 77.3 33.6 73 73 A D T 3 0 0 90 56,-0.3 -2,-0.0 117,-0.0 113,-0.0 0.388 360.0 360.0 -96.1 0.8 1.1 80.0 32.5 74 74 A I < 0 0 165 -3,-1.4 -4,-0.0 0, 0.0 0, 0.0 0.008 360.0 360.0 -85.2 360.0 -1.7 77.5 32.0 75 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 76 84 A W >> 0 0 218 0, 0.0 3,-1.4 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 139.5 -13.7 64.9 28.2 77 85 A Y T 34 + 0 0 74 1,-0.3 225,-0.7 2,-0.2 5,-0.1 0.523 360.0 74.4 -73.9 -8.5 -11.9 64.0 31.4 78 86 A L T 34 S+ 0 0 43 1,-0.2 203,-0.3 223,-0.1 -1,-0.3 0.626 114.8 19.6 -78.1 -11.7 -14.7 62.2 33.1 79 87 A A T <4 S+ 0 0 44 -3,-1.4 204,-2.5 1,-0.2 2,-0.3 0.306 120.3 57.2-142.2 3.2 -14.3 59.2 30.9 80 88 A Y B < S-b 283 0B 117 -4,-0.6 222,-0.4 202,-0.3 -1,-0.2 -0.997 83.1-105.8-138.5 146.0 -10.8 59.4 29.5 81 89 A S - 0 0 14 202,-2.1 220,-0.2 -2,-0.3 -2,-0.1 -0.267 35.9-128.2 -63.0 155.7 -7.4 59.6 31.1 82 90 A I B -F 300 0C 41 218,-2.5 218,-0.7 -5,-0.1 -1,-0.1 -0.868 27.4-101.0-109.8 148.3 -5.7 63.0 30.9 83 91 A P - 0 0 82 0, 0.0 2,-0.1 0, 0.0 216,-0.1 -0.247 32.0-118.4 -69.0 148.4 -2.1 63.5 29.6 84 92 A D - 0 0 7 214,-0.2 2,-0.3 4,-0.1 -16,-0.1 -0.454 26.3-161.9 -75.7 158.3 0.9 64.0 31.9 85 93 A T > - 0 0 44 -2,-0.1 4,-2.1 -17,-0.1 -15,-0.2 -0.812 39.3 -95.1-128.5 171.4 3.0 67.2 31.8 86 94 A G H > S+ 0 0 0 -17,-2.2 4,-1.3 -20,-0.3 -16,-0.2 0.899 126.6 50.4 -54.7 -40.5 6.5 67.8 33.0 87 95 A E H > S+ 0 0 7 -18,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.914 110.0 47.8 -66.4 -44.3 5.0 69.1 36.3 88 96 A S H > S+ 0 0 12 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.832 107.1 57.4 -69.4 -29.9 2.7 66.1 36.9 89 97 A Q H X S+ 0 0 5 -4,-2.1 4,-2.5 -22,-0.3 5,-0.3 0.819 100.6 57.4 -70.8 -32.4 5.6 63.7 36.2 90 98 A I H X S+ 0 0 0 -4,-1.3 4,-2.0 -5,-0.2 -1,-0.2 0.940 110.2 44.7 -57.2 -46.3 7.6 65.3 39.0 91 99 A R H X S+ 0 0 38 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.863 113.0 50.7 -67.7 -37.2 4.8 64.5 41.3 92 100 A K H X S+ 0 0 9 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.965 114.9 40.2 -68.0 -52.6 4.3 60.9 40.0 93 101 A F H X S+ 0 0 8 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.824 112.3 57.4 -68.3 -31.2 8.0 59.9 40.3 94 102 A S H X S+ 0 0 5 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.915 108.6 47.1 -63.3 -42.1 8.3 61.7 43.6 95 103 A A H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 248,-0.3 0.935 112.5 48.1 -64.4 -45.9 5.5 59.6 45.0 96 104 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.911 111.8 52.2 -60.9 -39.9 7.0 56.4 43.6 97 105 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.928 109.3 46.3 -63.6 -47.6 10.3 57.4 45.1 98 106 A R H X S+ 0 0 22 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.870 112.0 53.8 -62.9 -37.2 9.1 58.0 48.6 99 107 A Y H X S+ 0 0 43 -4,-2.2 4,-1.0 -5,-0.2 -2,-0.2 0.939 111.2 43.0 -62.3 -49.0 7.1 54.7 48.5 100 108 A E H <>S+ 0 0 4 -4,-2.3 5,-2.5 1,-0.2 3,-0.4 0.881 111.6 55.6 -67.5 -35.3 10.1 52.7 47.6 101 109 A W H ><5S+ 0 0 7 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.910 100.8 58.7 -61.9 -42.7 12.3 54.5 50.1 102 110 A Q H 3<5S+ 0 0 136 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.808 108.2 45.5 -59.7 -32.1 9.9 53.6 52.9 103 111 A R T 3<5S- 0 0 123 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.309 119.9-107.3 -97.0 12.4 10.3 49.9 52.3 104 112 A G T < 5S+ 0 0 34 -3,-1.8 2,-1.7 1,-0.2 3,-0.2 0.630 76.2 137.4 80.8 12.8 14.1 50.1 52.0 105 113 A N >< + 0 0 66 -5,-2.5 4,-2.3 1,-0.2 -1,-0.2 -0.541 22.9 160.2 -90.9 68.2 14.1 49.6 48.2 106 114 A Y H > + 0 0 79 -2,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.785 60.2 55.8 -71.3 -34.9 16.7 52.4 47.9 107 115 A K H > S+ 0 0 109 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.944 115.7 38.5 -65.5 -45.1 18.2 51.6 44.5 108 116 A Q H > S+ 0 0 68 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.865 114.0 56.0 -71.4 -38.0 14.8 51.8 42.8 109 117 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.914 109.2 47.0 -55.7 -45.2 13.7 54.7 45.0 110 118 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.864 108.1 54.8 -71.6 -34.7 16.7 56.7 43.8 111 119 A F H X S+ 0 0 35 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.955 110.0 47.5 -59.1 -48.4 16.1 55.8 40.2 112 120 A Y H X S+ 0 0 13 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.887 110.1 51.6 -60.0 -43.7 12.6 57.2 40.5 113 121 A L H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.922 108.5 53.2 -58.1 -43.4 13.9 60.4 42.2 114 122 A G H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.912 108.3 49.1 -55.9 -44.9 16.3 60.7 39.3 115 123 A E H X S+ 0 0 5 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.911 107.7 53.8 -64.2 -42.8 13.4 60.5 36.9 116 124 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.912 110.1 49.0 -53.2 -43.8 11.5 63.1 38.8 117 125 A M H X S+ 0 0 2 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.784 101.3 62.7 -72.4 -26.7 14.5 65.3 38.5 118 126 A H H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.962 108.1 43.8 -55.7 -49.3 14.8 64.7 34.7 119 127 A Y H X S+ 0 0 10 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.886 113.0 49.5 -69.2 -41.3 11.4 66.3 34.4 120 128 A F H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.945 109.2 53.6 -58.8 -47.1 12.2 69.2 36.7 121 129 A G H >< S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.920 109.4 50.0 -50.7 -46.5 15.4 69.8 34.8 122 130 A D H >< S+ 0 0 2 -4,-2.1 3,-2.0 1,-0.2 6,-0.4 0.909 107.2 50.8 -61.4 -46.8 13.4 69.9 31.6 123 131 A I H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 69,-0.2 0.683 107.3 57.9 -70.9 -9.9 10.8 72.5 32.9 124 132 A D T << S+ 0 0 0 -4,-1.2 -1,-0.3 -3,-0.6 96,-0.2 0.345 87.5 94.4 -98.2 4.8 13.8 74.6 33.9 125 133 A T S < S- 0 0 0 -3,-2.0 71,-0.1 -5,-0.1 70,-0.1 -0.329 84.4-121.1 -75.5 173.4 15.2 74.7 30.4 126 134 A P S > S+ 0 0 0 0, 0.0 4,-0.7 0, 0.0 70,-0.3 0.861 106.0 46.7 -79.3 -39.7 14.2 77.8 28.3 127 135 A Y T 4>S+ 0 0 1 2,-0.2 5,-2.6 1,-0.2 4,-0.3 0.872 105.3 55.3 -75.2 -38.6 12.6 75.8 25.5 128 136 A H T >45S+ 0 0 9 -6,-0.4 3,-1.4 1,-0.2 -58,-0.8 0.942 109.7 42.6 -65.6 -49.6 10.3 73.3 27.4 129 137 A P T 345S+ 0 0 0 0, 0.0 -56,-0.3 0, 0.0 -1,-0.2 0.733 113.4 54.7 -71.2 -17.5 8.3 75.8 29.5 130 138 A A T 3<5S- 0 0 9 -4,-0.7 -2,-0.2 2,-0.1 -3,-0.1 0.492 110.8-130.1 -83.5 -6.8 8.0 78.0 26.4 131 139 A N T < 5 + 0 0 79 -3,-1.4 2,-0.7 -4,-0.3 -3,-0.2 0.823 57.0 147.1 60.7 33.1 6.6 74.9 24.7 132 140 A V < - 0 0 17 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.887 31.6-160.3-101.9 108.8 8.9 75.3 21.8 133 141 A T > - 0 0 28 -2,-0.7 4,-2.1 -3,-0.1 7,-0.3 -0.271 33.5-104.2 -87.4 172.0 9.9 71.9 20.5 134 142 A A T 4 S+ 0 0 52 1,-0.2 7,-0.1 2,-0.2 6,-0.1 0.737 125.6 52.4 -65.8 -24.0 12.7 70.6 18.3 135 143 A V T 4 S+ 0 0 116 1,-0.1 -1,-0.2 -71,-0.1 3,-0.1 0.904 108.7 49.8 -74.2 -43.8 10.2 70.5 15.5 136 144 A D T 4 S+ 0 0 106 1,-0.2 2,-0.4 2,-0.1 -2,-0.2 0.864 124.8 14.3 -59.9 -39.5 9.2 74.1 16.1 137 145 A S >< - 0 0 19 -4,-2.1 3,-1.5 1,-0.1 4,-0.5 -0.994 52.6-144.0-150.2 134.5 12.7 75.4 16.2 138 146 A A T 3> S+ 0 0 62 -2,-0.4 4,-1.7 1,-0.3 3,-0.2 0.712 101.5 73.3 -63.9 -20.6 16.2 74.4 15.2 139 147 A G H 3> S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.737 81.2 70.6 -66.4 -23.3 17.2 76.4 18.3 140 148 A H H <> S+ 0 0 9 -3,-1.5 4,-1.7 -7,-0.3 -1,-0.2 0.969 108.9 29.7 -61.1 -58.2 15.9 73.7 20.6 141 149 A V H > S+ 0 0 80 -4,-0.5 4,-2.4 2,-0.2 5,-0.2 0.866 119.5 57.4 -68.3 -37.2 18.5 71.1 19.9 142 150 A K H X S+ 0 0 116 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.932 108.3 45.1 -62.4 -46.6 21.1 73.8 19.2 143 151 A F H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.913 113.1 49.7 -65.8 -42.7 20.8 75.4 22.6 144 152 A E H X S+ 0 0 16 -4,-1.7 4,-2.4 -5,-0.3 -142,-0.4 0.877 112.2 48.5 -67.0 -33.3 20.8 72.1 24.5 145 153 A T H X S+ 0 0 51 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.922 109.5 53.4 -67.4 -44.8 23.9 71.0 22.6 146 154 A F H X S+ 0 0 24 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.937 112.7 43.7 -50.6 -52.3 25.5 74.4 23.4 147 155 A A H X S+ 0 0 0 -4,-2.6 4,-0.5 1,-0.2 3,-0.3 0.915 110.3 55.5 -62.5 -45.2 24.8 73.9 27.1 148 156 A E H >< S+ 0 0 39 -4,-2.4 3,-0.8 1,-0.2 4,-0.3 0.902 107.7 49.3 -55.8 -43.5 25.9 70.2 27.0 149 157 A E H 3< S+ 0 0 134 -4,-2.4 -1,-0.2 1,-0.2 3,-0.2 0.829 121.6 34.2 -65.0 -33.4 29.3 71.2 25.6 150 158 A R H >< S+ 0 0 81 -4,-1.3 3,-1.1 -3,-0.3 4,-0.4 0.214 80.4 117.3-106.7 12.6 29.8 73.9 28.3 151 159 A K G X< + 0 0 39 -3,-0.8 3,-1.6 -4,-0.5 4,-0.3 0.840 69.1 62.8 -55.7 -36.0 28.1 72.2 31.2 152 160 A E G > S+ 0 0 110 -4,-0.3 3,-1.2 1,-0.3 -1,-0.3 0.891 101.2 50.1 -56.0 -42.4 31.3 72.1 33.2 153 161 A Q G < S+ 0 0 131 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.493 106.3 58.1 -80.4 -0.0 31.6 75.9 33.4 154 162 A Y G < S+ 0 0 11 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.328 76.6 120.4-108.0 5.6 28.0 76.2 34.6 155 163 A K < - 0 0 92 -3,-1.2 2,-0.3 -4,-0.3 63,-0.1 -0.366 41.7-167.0 -66.3 145.7 28.2 74.1 37.7 156 164 A I - 0 0 48 61,-0.1 -135,-0.2 62,-0.1 3,-0.1 -0.911 15.8-159.3-127.1 163.6 27.4 75.7 41.0 157 165 A N S S+ 0 0 100 -2,-0.3 2,-0.3 1,-0.2 -133,-0.2 0.277 70.6 38.2-129.0 12.2 28.1 74.3 44.5 158 166 A T - 0 0 55 -134,-0.1 -1,-0.2 1,-0.1 -136,-0.1 -0.988 61.6-136.9-155.1 152.6 25.6 76.2 46.7 159 167 A A - 0 0 9 2,-0.4 3,-0.1 -2,-0.3 -1,-0.1 0.652 64.4-102.5 -79.0 -16.7 22.1 77.5 46.7 160 168 A G S S+ 0 0 57 1,-0.3 2,-0.3 -3,-0.0 -2,-0.0 0.282 96.2 48.3 111.0 -6.2 23.5 80.7 48.2 161 169 A C S S- 0 0 48 4,-0.1 -2,-0.4 5,-0.0 -1,-0.3 -0.962 86.3 -96.5-151.8 164.8 22.3 80.0 51.8 162 170 A K > - 0 0 99 -2,-0.3 3,-1.8 -3,-0.1 6,-0.4 -0.329 42.1-103.5 -80.2 169.4 22.4 77.2 54.4 163 171 A T T 3 S+ 0 0 1 -138,-2.3 -137,-0.1 1,-0.3 -1,-0.1 0.634 118.6 63.3 -78.3 -12.1 19.4 74.9 54.9 164 172 A N T 3 S+ 0 0 82 -139,-0.3 -1,-0.3 4,-0.1 2,-0.2 0.371 97.2 85.4 -83.5 7.0 18.3 76.6 58.1 165 173 A E S <> S- 0 0 82 -3,-1.8 4,-3.0 4,-0.0 3,-0.4 -0.485 97.1 -80.5-108.9 179.1 17.7 79.7 55.9 166 174 A A H > S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.806 117.8 50.9 -49.1 -56.9 14.9 81.1 53.8 167 175 A F H > S+ 0 0 45 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.935 122.2 32.9 -49.8 -51.0 15.2 79.2 50.5 168 176 A Y H > S+ 0 0 0 -6,-0.4 4,-0.9 -3,-0.4 -2,-0.2 0.874 116.2 53.6 -79.6 -38.0 15.3 75.8 52.2 169 177 A T H >X S+ 0 0 55 -4,-3.0 3,-0.8 1,-0.2 4,-0.7 0.906 104.9 56.6 -66.1 -37.2 13.0 76.5 55.2 170 178 A D H >X S+ 0 0 76 -4,-2.7 3,-0.9 -5,-0.3 4,-0.6 0.866 99.7 61.4 -56.5 -38.3 10.3 77.7 52.8 171 179 A I H 3< S+ 0 0 3 -4,-0.9 -1,-0.2 -5,-0.3 3,-0.2 0.823 106.5 44.2 -58.1 -34.3 10.5 74.3 51.0 172 180 A L H << S+ 0 0 58 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.572 92.0 86.3 -87.7 -10.6 9.5 72.5 54.2 173 181 A K H << S+ 0 0 159 -3,-0.9 2,-0.7 -4,-0.7 -1,-0.2 0.887 78.2 63.2 -61.4 -43.7 6.6 74.9 55.2 174 182 A N < - 0 0 71 -4,-0.6 6,-0.1 -3,-0.2 -1,-0.1 -0.753 60.9-164.6 -96.0 112.5 3.8 73.3 53.1 175 183 A K S S+ 0 0 77 -2,-0.7 2,-1.4 1,-0.1 -1,-0.2 0.693 74.1 87.9 -66.0 -18.0 2.9 69.8 54.1 176 184 A D > - 0 0 36 1,-0.2 4,-2.6 2,-0.1 5,-0.2 -0.667 61.2-173.9 -84.9 89.6 1.0 69.4 50.9 177 185 A F H > S+ 0 0 3 -2,-1.4 4,-3.4 1,-0.2 5,-0.2 0.893 79.9 52.0 -54.0 -46.5 3.9 68.2 48.7 178 186 A N H > S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 112.6 44.5 -58.4 -45.0 1.8 68.3 45.5 179 187 A A H > S+ 0 0 35 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.898 116.5 47.0 -68.0 -40.3 0.7 71.9 46.0 180 188 A W H X S+ 0 0 23 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.920 111.9 50.1 -64.4 -46.0 4.2 72.9 47.0 181 189 A S H X S+ 0 0 0 -4,-3.4 4,-3.0 -5,-0.2 5,-0.3 0.913 107.4 53.8 -61.5 -43.5 5.8 71.2 44.1 182 190 A K H X S+ 0 0 58 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.931 115.6 37.7 -58.6 -47.1 3.5 72.7 41.5 183 191 A E H X S+ 0 0 102 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.857 115.8 53.1 -77.5 -32.7 4.1 76.3 42.6 184 192 A 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