==== 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 HYDROLASE 03-APR-08 3CQL . COMPND 2 MOLECULE: ENDOCHITINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CARICA PAPAYA; . AUTHOR J.HUET,P.RUCKTOA,B.CLANTIN,M.AZARKAN,Y.LOOZE,V.VILLERET,R.WI . 486 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19888.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 60.5 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 . 12 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 17 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 1 3 2 1 1 0 2 0 4 0 0 0 2 2 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 . 6 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 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 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 G > 0 0 69 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0-147.7 -47.8 -12.0 17.4 2 2 A I G >> + 0 0 7 1,-0.3 4,-2.8 2,-0.2 3,-2.0 0.637 360.0 85.2 -70.4 -14.3 -44.4 -11.2 15.9 3 3 A E G 34 S+ 0 0 61 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.744 83.2 62.9 -58.2 -23.1 -43.1 -14.7 16.7 4 4 A K G <4 S+ 0 0 171 -3,-1.4 -1,-0.3 1,-0.1 3,-0.2 0.709 112.2 34.3 -72.5 -23.3 -44.7 -15.8 13.4 5 5 A I T <4 S+ 0 0 29 -3,-2.0 2,-0.5 1,-0.3 -2,-0.2 0.773 127.6 35.8 -99.7 -39.1 -42.3 -13.5 11.5 6 6 A I S < S- 0 0 0 -4,-2.8 -1,-0.3 4,-0.0 2,-0.1 -0.914 77.3-162.7-123.1 105.9 -39.3 -13.8 13.7 7 7 A S > - 0 0 47 -2,-0.5 4,-2.6 -3,-0.2 5,-0.2 -0.292 34.7-105.8 -77.4 165.4 -38.6 -17.2 15.2 8 8 A R H > S+ 0 0 132 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.904 122.1 51.4 -54.3 -45.1 -36.3 -18.0 18.2 9 9 A S H > S+ 0 0 88 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.887 110.6 47.8 -65.9 -38.5 -33.8 -19.5 15.8 10 10 A M H > S+ 0 0 37 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.935 111.8 49.1 -65.6 -47.3 -33.8 -16.4 13.5 11 11 A F H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.908 112.4 49.7 -54.9 -45.3 -33.4 -14.0 16.5 12 12 A D H < S+ 0 0 71 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.871 109.8 50.0 -65.5 -38.2 -30.6 -16.1 17.8 13 13 A Q H >< S+ 0 0 104 -4,-2.0 3,-0.8 -5,-0.2 -2,-0.2 0.927 114.7 45.2 -64.3 -45.9 -28.9 -16.1 14.3 14 14 A M H 3< S+ 0 0 0 -4,-2.7 2,-0.9 1,-0.3 69,-0.3 0.961 119.8 38.9 -58.1 -54.7 -29.2 -12.3 14.2 15 15 A L T >< S+ 0 0 0 -4,-3.2 3,-1.4 1,-0.2 4,-0.3 -0.399 77.7 155.5 -98.5 56.6 -28.0 -11.7 17.8 16 16 A K T < S+ 0 0 63 -2,-0.9 -1,-0.2 -3,-0.8 3,-0.2 0.701 70.8 35.9 -57.6 -28.8 -25.4 -14.4 17.5 17 17 A H T > S+ 0 0 0 64,-1.0 3,-1.7 66,-0.2 -1,-0.3 0.287 78.5 104.1-115.5 8.2 -23.1 -13.0 20.2 18 18 A R T < S+ 0 0 20 -3,-1.4 9,-0.3 1,-0.3 10,-0.3 0.805 91.4 43.8 -63.1 -26.8 -25.5 -11.6 22.8 19 19 A N T 3 S+ 0 0 54 -4,-0.3 -1,-0.3 7,-0.2 -2,-0.1 0.242 82.8 127.1-101.9 11.2 -24.7 -14.6 25.0 20 20 A N X - 0 0 2 -3,-1.7 3,-2.5 1,-0.2 6,-0.2 -0.510 67.7-129.8 -63.3 130.1 -20.9 -14.5 24.3 21 21 A P T 3 S+ 0 0 63 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.726 107.3 66.3 -56.4 -19.3 -19.1 -14.5 27.7 22 22 A A T 3 S+ 0 0 5 -5,-0.1 435,-0.2 3,-0.0 436,-0.1 0.629 84.5 87.3 -74.7 -14.9 -17.2 -11.5 26.3 23 23 A a S X S- 0 0 4 -3,-2.5 3,-2.0 -6,-0.2 63,-0.1 -0.767 72.7-143.8 -92.6 126.1 -20.4 -9.3 26.2 24 24 A P T 3 S+ 0 0 73 0, 0.0 62,-0.2 0, 0.0 -1,-0.1 0.807 100.9 52.9 -53.2 -32.3 -21.3 -7.4 29.4 25 25 A A T >> S+ 0 0 5 60,-2.5 3,-2.6 2,-0.1 4,-0.7 0.255 77.4 153.5 -90.7 12.3 -25.0 -8.0 28.8 26 26 A K T <4 S+ 0 0 117 -3,-2.0 -7,-0.2 1,-0.3 -8,-0.1 -0.126 70.8 8.0 -44.6 129.0 -24.7 -11.7 28.5 27 27 A G T 34 S+ 0 0 30 -9,-0.3 -1,-0.3 2,-0.2 -8,-0.1 0.232 107.7 93.3 85.6 -13.9 -27.9 -13.5 29.4 28 28 A F T <4 S+ 0 0 28 -3,-2.6 2,-0.9 -10,-0.3 -2,-0.1 0.944 71.1 61.5 -79.5 -49.9 -29.9 -10.3 29.8 29 29 A Y S < S+ 0 0 2 -4,-0.7 2,-0.3 55,-0.2 -2,-0.2 -0.690 71.8 176.4 -86.7 105.8 -31.5 -9.9 26.3 30 30 A T > - 0 0 36 -2,-0.9 4,-2.2 1,-0.1 5,-0.1 -0.834 41.9-129.2-111.9 151.8 -33.8 -12.9 25.7 31 31 A Y H > S+ 0 0 16 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.916 112.9 55.9 -56.4 -43.2 -36.1 -13.8 22.9 32 32 A D H > S+ 0 0 97 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.901 107.9 47.3 -59.1 -42.4 -38.8 -14.5 25.5 33 33 A A H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.883 111.4 51.5 -64.9 -42.0 -38.4 -10.9 26.9 34 34 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.954 113.9 42.9 -57.8 -51.2 -38.5 -9.4 23.4 35 35 A I H X S+ 0 0 21 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.906 114.8 50.5 -62.4 -45.5 -41.7 -11.3 22.5 36 36 A A H >X S+ 0 0 42 -4,-2.6 3,-0.6 -5,-0.2 4,-0.5 0.934 111.7 47.8 -58.5 -49.8 -43.3 -10.6 25.9 37 37 A A H >< S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.2 4,-0.3 0.889 105.4 58.8 -59.5 -39.0 -42.5 -6.9 25.6 38 38 A A H >< S+ 0 0 7 -4,-2.1 3,-1.9 1,-0.3 6,-0.3 0.787 91.0 70.6 -65.2 -28.0 -43.9 -6.7 22.0 39 39 A K H << S+ 0 0 162 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.794 93.4 57.1 -57.1 -29.4 -47.3 -7.9 23.3 40 40 A S T << S+ 0 0 59 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.575 111.2 43.3 -78.1 -9.9 -47.6 -4.5 24.9 41 41 A F S X S+ 0 0 29 -3,-1.9 3,-1.9 -4,-0.3 -1,-0.3 -0.635 74.6 174.3-131.5 70.3 -47.2 -2.9 21.5 42 42 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.714 71.6 57.4 -62.9 -24.9 -49.4 -5.1 19.4 43 43 A S T > S+ 0 0 49 2,-0.1 3,-1.5 3,-0.1 4,-0.4 0.620 79.9 106.0 -79.7 -13.4 -49.2 -3.1 16.1 44 44 A F T < S- 0 0 2 -3,-1.9 -42,-0.1 -6,-0.3 -3,-0.1 -0.527 99.9 -2.6 -62.9 125.2 -45.3 -3.4 16.1 45 45 A G T 3 S+ 0 0 0 -2,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.597 123.0 78.9 69.6 11.7 -44.4 -6.0 13.4 46 46 A T < + 0 0 49 -3,-1.5 2,-0.5 6,-0.1 -2,-0.2 0.122 67.9 102.8-131.9 15.4 -48.1 -6.7 12.6 47 47 A T S S- 0 0 42 -4,-0.4 9,-0.1 2,-0.1 2,-0.1 -0.901 80.1 -15.5-109.2 122.9 -48.8 -3.6 10.5 48 48 A G S S- 0 0 45 -2,-0.5 126,-0.1 4,-0.1 125,-0.0 -0.419 104.6 -13.6 90.6-164.5 -49.0 -3.9 6.7 49 49 A S > - 0 0 67 124,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.171 69.4-104.9 -67.8 166.6 -47.8 -6.6 4.3 50 50 A T H > S+ 0 0 90 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.899 124.2 56.6 -59.3 -39.3 -45.5 -9.4 5.4 51 51 A D H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 109.4 45.2 -57.4 -45.4 -42.7 -7.6 3.5 52 52 A V H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.898 111.5 51.7 -66.9 -41.4 -43.4 -4.5 5.6 53 53 A R H X S+ 0 0 82 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.919 110.7 48.2 -63.1 -43.7 -43.6 -6.4 8.9 54 54 A K H X S+ 0 0 62 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.928 111.8 50.0 -61.9 -45.0 -40.3 -8.1 8.2 55 55 A R H X S+ 0 0 37 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.879 109.1 52.3 -61.7 -37.9 -38.7 -4.8 7.3 56 56 A E H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.931 111.1 46.0 -64.0 -46.0 -40.0 -3.2 10.5 57 57 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.932 114.3 48.5 -61.2 -44.4 -38.5 -6.0 12.6 58 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.887 112.9 48.8 -62.5 -39.9 -35.2 -5.7 10.7 59 59 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.931 113.5 45.3 -66.2 -47.3 -35.2 -1.9 11.2 60 60 A F H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.3 0.940 117.6 43.4 -60.6 -51.3 -36.0 -2.1 14.9 61 61 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 -2,-0.2 0.863 113.3 54.4 -64.4 -34.7 -33.4 -4.9 15.5 62 62 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.938 112.5 40.6 -62.0 -48.9 -30.9 -3.0 13.3 63 63 A Q H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.945 117.5 46.8 -69.1 -48.7 -31.1 0.2 15.2 64 64 A T H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 20,-0.4 0.867 109.3 56.8 -61.7 -35.9 -31.1 -1.3 18.6 65 65 A S H < S+ 0 0 0 -4,-2.2 19,-0.4 -5,-0.3 3,-0.4 0.934 108.0 47.0 -61.6 -44.6 -28.2 -3.6 17.6 66 66 A H H >< S+ 0 0 22 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.932 108.9 54.6 -59.2 -43.8 -26.2 -0.5 16.7 67 67 A E H 3< S+ 0 0 40 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.803 121.4 30.4 -61.3 -26.8 -27.1 1.1 20.0 68 68 A T T 3< S+ 0 0 1 -4,-1.4 18,-1.8 -3,-0.4 17,-1.8 0.177 90.4 146.6-117.9 16.4 -25.8 -1.9 21.9 69 69 A T < - 0 0 24 -3,-1.4 14,-0.2 -4,-0.3 -3,-0.1 -0.226 32.3-178.7 -70.0 139.6 -23.1 -3.1 19.6 70 70 A G + 0 0 1 12,-2.5 385,-0.2 9,-0.1 -1,-0.1 0.164 47.3 134.6-105.8 12.6 -19.8 -4.8 20.7 71 71 A G - 0 0 26 11,-0.3 9,-0.1 8,-0.3 3,-0.0 -0.108 32.8-178.2 -63.8 155.7 -18.7 -5.0 17.1 72 72 A W > - 0 0 30 4,-0.1 3,-2.2 383,-0.0 -2,-0.1 -0.939 43.6-101.4-144.5 159.9 -15.4 -4.2 15.6 73 73 A P T 3 S+ 0 0 78 0, 0.0 7,-0.1 0, 0.0 -2,-0.0 0.838 120.4 38.7 -55.9 -36.1 -14.4 -4.4 12.0 74 74 A S T 3 S+ 0 0 33 4,-0.1 260,-0.4 5,-0.1 3,-0.1 0.111 86.4 138.2-100.5 21.3 -12.5 -7.7 12.2 75 75 A A X - 0 0 0 -3,-2.2 3,-2.2 1,-0.1 5,-0.1 -0.302 66.8 -90.0 -64.0 148.6 -14.9 -9.3 14.7 76 76 A P T 3 S+ 0 0 5 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 -0.343 116.7 13.9 -55.7 138.1 -15.9 -13.0 14.2 77 77 A D T 3 S- 0 0 70 -3,-0.1 3,-0.2 3,-0.1 -2,-0.1 0.515 130.7 -77.9 69.2 6.5 -19.1 -13.2 12.0 78 78 A G X - 0 0 20 -3,-2.2 3,-1.6 1,-0.2 -4,-0.1 0.085 53.1 -74.9 86.8 159.9 -18.5 -9.5 11.0 79 79 A P G > S+ 0 0 12 0, 0.0 3,-0.9 0, 0.0 -8,-0.3 0.715 126.0 65.6 -65.0 -17.2 -19.3 -6.3 13.0 80 80 A Y G 3 S+ 0 0 75 1,-0.2 3,-0.1 -3,-0.2 -2,-0.1 0.232 90.7 63.8 -94.0 16.2 -23.0 -6.8 12.3 81 81 A A G < S+ 0 0 0 -3,-1.6 -64,-1.0 -5,-0.2 -1,-0.2 0.314 86.1 76.3-110.4 5.8 -23.2 -9.9 14.3 82 82 A W X + 0 0 3 -3,-0.9 -12,-2.5 -66,-0.1 3,-0.6 0.022 60.9 134.8-112.4 24.3 -22.4 -8.2 17.6 83 83 A G T 3 + 0 0 0 -69,-0.3 -66,-0.2 -14,-0.2 -18,-0.2 -0.273 62.8 29.2 -63.6 155.7 -25.6 -6.4 18.5 84 84 A Y T 3 S+ 0 0 0 -19,-0.4 -55,-0.2 -20,-0.4 -1,-0.2 0.800 77.7 126.7 64.9 34.6 -27.0 -6.5 22.0 85 85 A a < + 0 0 0 -17,-1.8 -60,-2.5 -3,-0.6 2,-0.3 0.774 64.9 48.7 -89.6 -31.1 -23.6 -6.8 23.6 86 86 A F - 0 0 13 -18,-1.8 3,-0.1 -62,-0.2 -2,-0.1 -0.803 48.7-175.4-115.2 154.4 -24.0 -3.9 26.0 87 87 A L S S+ 0 0 24 -2,-0.3 28,-2.0 1,-0.2 2,-0.4 0.694 74.1 44.5-112.5 -37.2 -26.8 -2.8 28.4 88 88 A K B S-A 114 0A 95 26,-0.2 -1,-0.2 -20,-0.1 26,-0.2 -0.897 94.4 -93.6-117.6 143.5 -25.5 0.6 29.6 89 89 A E - 0 0 41 24,-2.6 2,-0.5 -2,-0.4 23,-0.1 -0.237 43.9-122.0 -50.7 132.5 -23.9 3.5 27.7 90 90 A R S S- 0 0 106 1,-0.2 -1,-0.1 361,-0.0 361,-0.1 -0.675 81.1 -14.2 -82.9 126.9 -20.2 3.2 27.7 91 91 A N S S- 0 0 92 -2,-0.5 -1,-0.2 1,-0.1 -2,-0.0 0.902 80.1-157.0 53.0 53.2 -18.3 6.2 29.2 92 92 A P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 20,-0.1 -0.373 9.7-149.5 -62.6 142.9 -21.3 8.7 29.3 93 93 A S S S+ 0 0 115 -2,-0.0 2,-0.3 1,-0.0 -2,-0.0 0.569 72.8 11.1 -90.5 -14.3 -20.1 12.4 29.3 94 94 A S S S- 0 0 56 2,-0.0 18,-0.1 1,-0.0 16,-0.0 -0.920 76.6-103.1-149.9 178.0 -23.1 13.8 31.3 95 95 A N - 0 0 81 -2,-0.3 16,-3.2 2,-0.1 26,-0.1 0.387 54.7-124.6 -85.3 1.7 -26.1 12.8 33.3 96 96 A Y + 0 0 35 1,-0.2 26,-1.3 14,-0.2 2,-0.5 0.922 54.8 156.4 53.8 50.7 -28.4 13.6 30.3 97 97 A b + 0 0 53 24,-0.2 -1,-0.2 25,-0.1 -2,-0.1 -0.943 14.1 172.7-112.9 121.9 -30.4 16.1 32.3 98 98 A A - 0 0 20 -2,-0.5 7,-0.3 2,-0.0 24,-0.0 -0.896 43.7 -85.3-122.4 153.0 -32.3 18.8 30.4 99 99 A P + 0 0 133 0, 0.0 24,-0.1 0, 0.0 -1,-0.0 -0.350 54.8 163.6 -55.4 134.1 -34.9 21.4 31.7 100 100 A S - 0 0 23 1,-0.1 -2,-0.0 5,-0.1 5,-0.0 -0.756 31.2-163.8-159.1 107.5 -38.4 19.9 31.7 101 101 A P S S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.920 99.0 37.7 -49.7 -48.4 -41.4 21.3 33.6 102 102 A R S S+ 0 0 192 1,-0.2 -2,-0.0 21,-0.0 21,-0.0 0.812 129.7 28.0 -77.9 -33.8 -43.2 17.9 33.2 103 103 A Y S S- 0 0 22 34,-0.0 -1,-0.2 3,-0.0 23,-0.2 -0.483 78.9-177.0-130.0 61.4 -40.3 15.5 33.7 104 104 A P - 0 0 74 0, 0.0 2,-0.1 0, 0.0 -7,-0.0 -0.280 38.1 -94.1 -66.2 148.5 -37.7 17.2 35.9 105 105 A b - 0 0 32 -7,-0.3 33,-0.1 1,-0.1 -8,-0.1 -0.368 37.3-124.4 -57.6 130.8 -34.5 15.4 36.6 106 106 A A > - 0 0 23 31,-0.5 3,-2.2 -3,-0.1 -1,-0.1 -0.692 36.5-101.8 -78.5 123.4 -34.6 13.4 39.8 107 107 A P T 3 S+ 0 0 129 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.166 104.7 14.2 -48.0 132.9 -31.7 14.5 42.1 108 108 A G T 3 S+ 0 0 86 1,-0.3 2,-0.2 -3,-0.0 -2,-0.0 0.385 102.8 114.6 83.7 -2.4 -28.8 12.1 42.0 109 109 A K < - 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0 0 36 -6,-2.3 -2,-0.0 -9,-0.1 0, 0.0 -0.603 60.1-166.4 -80.8 131.9 9.4 -5.8 33.5 421 177 B Q - 0 0 150 -2,-0.3 11,-0.0 11,-0.1 2,-0.0 -0.970 27.2-116.0-113.9 127.6 8.9 -3.3 36.2 422 178 B P - 0 0 10 0, 0.0 10,-0.1 0, 0.0 2,-0.0 -0.361 24.6-129.9 -66.1 143.3 6.4 -0.5 35.6 423 179 B S > - 0 0 58 8,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.223 33.2 -96.9 -73.8 175.1 7.6 3.1 35.4 424 180 B A H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.864 129.2 52.7 -63.8 -32.9 5.9 5.9 37.4 425 181 B A H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.910 108.7 50.6 -68.2 -39.7 3.9 6.7 34.2 426 182 B D H >>S+ 0 0 11 2,-0.2 5,-2.5 1,-0.2 4,-0.7 0.931 110.0 48.0 -62.3 -47.4 2.8 3.1 34.0 427 183 B T H <5S+ 0 0 74 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.858 112.4 49.4 -65.8 -34.8 1.6 2.9 37.7 428 184 B A H <5S+ 0 0 92 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.898 113.6 47.4 -64.8 -39.3 -0.3 6.2 37.3 429 185 B A H <5S- 0 0 7 -4,-2.0 55,-1.6 -5,-0.2 -2,-0.2 0.469 115.9-113.7 -81.2 -7.4 -1.9 4.8 34.1 430 186 B G T <5 + 0 0 29 -4,-0.7 2,-1.5 -3,-0.4 -3,-0.2 0.612 66.4 146.2 81.9 12.8 -2.8 1.4 35.7 431 187 B R < + 0 0 20 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.677 24.3 161.2 -84.7 88.0 -0.4 -0.5 33.5 432 188 B L - 0 0 64 -2,-1.5 5,-0.5 -3,-0.1 4,-0.1 -0.777 49.1 -75.7-111.4 152.1 0.6 -3.2 36.0 433 189 B P S S+ 0 0 56 0, 0.0 2,-0.3 0, 0.0 43,-0.1 -0.198 87.3 76.5 -50.7 132.5 2.2 -6.6 35.4 434 190 B G S > S- 0 0 14 1,-0.1 4,-1.0 41,-0.1 3,-0.3 -0.883 95.3 -60.4 153.2-175.6 -0.3 -9.1 34.1 435 191 B Y H > S+ 0 0 1 41,-0.6 4,-2.0 39,-0.3 43,-0.2 0.830 121.0 64.6 -67.1 -34.8 -2.2 -10.3 31.0 436 192 B G H > S+ 0 0 0 41,-2.6 4,-2.1 40,-0.3 -1,-0.2 0.896 100.6 49.1 -56.2 -45.1 -4.0 -6.9 30.7 437 193 B V H > S+ 0 0 0 -5,-0.5 4,-2.4 40,-0.4 -1,-0.2 0.843 107.0 56.8 -69.0 -26.5 -0.8 -5.0 29.9 438 194 B I H X S+ 0 0 0 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.915 106.1 49.7 -68.7 -41.7 0.1 -7.7 27.3 439 195 B T H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.918 109.4 53.9 -57.4 -41.4 -3.3 -6.9 25.6 440 196 B N H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.912 108.0 47.9 -60.4 -45.2 -2.2 -3.2 25.8 441 197 B I H < S+ 0 0 7 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.927 115.9 45.5 -60.6 -42.1 1.1 -4.0 24.1 442 198 B I H < S- 0 0 21 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.914 143.9 -17.7 -72.1 -42.9 -0.7 -5.9 21.3 443 199 B N H >X S+ 0 0 54 -4,-2.8 4,-1.8 -5,-0.2 3,-0.8 0.010 82.1 138.4-157.9 35.7 -3.6 -3.6 20.5 444 200 B G H 3X + 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -3,-0.1 0.817 65.8 66.8 -63.9 -36.1 -4.1 -1.2 23.4 445 201 B G H 34 S+ 0 0 69 -5,-0.3 -1,-0.2 1,-0.2 -5,-0.1 0.886 116.7 27.3 -48.6 -44.3 -4.7 1.9 21.2 446 202 B L H <4 S+ 0 0 139 -3,-0.8 -1,-0.2 -6,-0.1 -2,-0.2 0.707 133.4 31.7 -91.2 -25.0 -8.0 0.3 20.1 447 203 B E H < S+ 0 0 3 -4,-1.8 3,-0.3 -8,-0.1 2,-0.2 0.668 99.6 75.9-112.0 -20.7 -8.9 -1.9 23.1 448 204 B f S < S+ 0 0 3 -4,-2.5 33,-0.2 -5,-0.2 34,-0.1 -0.657 85.0 19.0-108.4 153.8 -7.7 -0.4 26.3 449 205 B G S S+ 0 0 31 31,-2.5 -1,-0.2 -2,-0.2 32,-0.2 0.567 95.2 94.6 78.3 12.0 -8.6 2.3 28.7 450 206 B K S S- 0 0 123 1,-0.4 32,-0.2 -3,-0.3 31,-0.1 0.064 91.6-106.1-122.4 20.4 -12.2 2.5 27.4 451 207 B G S S- 0 0 9 30,-2.5 -1,-0.4 29,-0.2 29,-0.1 -0.184 71.7 -6.9 77.7-176.8 -14.0 0.3 29.9 452 208 B P + 0 0 65 0, 0.0 3,-0.0 0, 0.0 -430,-0.0 -0.128 66.2 163.3 -52.3 137.0 -15.4 -3.3 29.2 453 209 B N > - 0 0 4 1,-0.1 4,-1.8 -430,-0.0 5,-0.2 -0.978 45.0-120.4-151.1 156.0 -15.2 -4.6 25.7 454 210 B P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.794 106.2 61.9 -67.7 -27.7 -15.5 -8.1 24.1 455 211 B Q H > S+ 0 0 19 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.955 108.7 41.8 -60.5 -50.4 -12.1 -8.0 22.5 456 212 B V H > S+ 0 0 0 1,-0.2 4,-1.6 -9,-0.2 -1,-0.2 0.915 116.5 49.2 -61.9 -43.6 -10.3 -7.8 25.8 457 213 B A H X S+ 0 0 17 -4,-1.8 4,-2.2 -435,-0.2 -1,-0.2 0.861 106.5 55.1 -67.4 -36.2 -12.6 -10.3 27.5 458 214 B D H X S+ 0 0 8 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.919 105.7 53.1 -63.9 -41.4 -12.2 -12.8 24.7 459 215 B R H X S+ 0 0 1 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.910 109.1 50.7 -57.2 -41.6 -8.4 -12.7 25.1 460 216 B I H X S+ 0 0 13 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.901 104.4 56.5 -65.9 -41.3 -9.0 -13.4 28.8 461 217 B G H X S+ 0 0 6 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.916 108.7 46.1 -58.4 -45.4 -11.2 -16.4 28.2 462 218 B F H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.932 112.1 51.5 -61.9 -47.1 -8.6 -18.2 26.1 463 219 B F H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.909 110.0 49.7 -57.3 -44.0 -5.9 -17.5 28.7 464 220 B R H X S+ 0 0 150 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.935 111.2 48.7 -60.8 -47.4 -8.1 -18.9 31.4 465 221 B R H X S+ 0 0 54 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.938 114.4 45.5 -57.1 -46.7 -8.8 -22.1 29.5 466 222 B Y H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.870 110.4 52.1 -71.2 -35.7 -5.1 -22.6 28.7 467 223 B C H X>S+ 0 0 1 -4,-2.6 5,-2.3 -5,-0.2 4,-1.2 0.897 109.4 52.1 -63.8 -37.9 -3.9 -21.9 32.2 468 224 B G H <5S+ 0 0 58 -4,-2.2 3,-0.2 -5,-0.2 -2,-0.2 0.936 111.2 46.0 -61.0 -46.1 -6.4 -24.5 33.4 469 225 B I H <5S+ 0 0 39 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.883 117.1 43.5 -65.7 -40.4 -5.0 -27.0 30.9 470 226 B L H <5S- 0 0 7 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.586 112.5-122.5 -80.1 -14.1 -1.4 -26.2 31.9 471 227 B G T <5 + 0 0 58 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.848 67.2 119.2 75.6 39.6 -2.3 -26.2 35.6 472 228 B V < - 0 0 16 -5,-2.3 -1,-0.2 -6,-0.1 2,-0.1 -0.907 65.7-102.6-129.7 156.9 -1.2 -22.6 36.6 473 229 B G - 0 0 47 -2,-0.3 3,-0.1 1,-0.1 -9,-0.0 -0.468 21.1-137.2 -72.1 153.8 -2.9 -19.5 37.9 474 230 B T - 0 0 31 1,-0.2 -39,-0.3 -2,-0.1 -1,-0.1 0.687 37.5-139.2 -79.2 -19.1 -3.7 -16.7 35.5 475 231 B G - 0 0 37 -41,-0.1 -1,-0.2 -40,-0.0 3,-0.1 -0.276 26.2 -79.3 74.2-177.2 -2.5 -14.0 37.9 476 232 B N S S+ 0 0 133 1,-0.2 -41,-0.6 -43,-0.1 -40,-0.3 -0.283 97.8 66.2-107.3-164.0 -4.5 -10.8 38.2 477 233 B N + 0 0 76 -43,-0.2 -41,-2.6 -2,-0.1 -40,-0.4 0.929 60.1 157.0 50.8 52.7 -4.7 -7.6 36.3 478 234 B L + 0 0 21 -43,-0.2 2,-0.2 -42,-0.2 -39,-0.1 0.754 50.5 51.5 -83.3 -27.9 -6.2 -9.6 33.4 479 235 B D - 0 0 55 -44,-0.1 -43,-0.2 1,-0.0 -42,-0.1 -0.615 60.7-151.8-103.0 168.8 -8.0 -6.7 31.6 480 236 B f > + 0 0 0 -2,-0.2 -31,-2.5 -33,-0.2 3,-1.8 0.044 55.8 125.0-122.5 26.5 -6.9 -3.3 30.4 481 237 B Y T 3 S+ 0 0 40 1,-0.3 -30,-2.5 -33,-0.2 -1,-0.1 0.783 86.0 31.2 -56.6 -30.1 -10.3 -1.6 30.7 482 238 B N T 3 S+ 0 0 140 -32,-0.2 2,-0.5 -33,-0.1 -1,-0.3 0.107 96.9 107.5-118.5 18.3 -8.8 1.1 33.0 483 239 B Q < - 0 0 8 -3,-1.8 -53,-0.2 -53,-0.1 -33,-0.1 -0.857 68.3-127.7 -98.8 129.4 -5.3 1.2 31.5 484 240 B R - 0 0 183 -55,-1.6 -35,-0.2 -2,-0.5 3,-0.1 -0.517 40.1-102.4 -64.1 136.4 -4.2 4.1 29.4 485 241 B P - 0 0 40 0, 0.0 -1,-0.1 0, 0.0 -44,-0.1 -0.309 46.3 -88.0 -55.8 145.5 -2.7 2.8 26.1 486 242 B F 0 0 20 -46,-0.2 -77,-0.1 -49,-0.1 -41,-0.1 -0.353 360.0 360.0 -52.7 135.2 1.1 2.8 26.0 487 243 B G 0 0 119 -3,-0.1 -80,-0.0 -79,-0.1 0, 0.0 0.505 360.0 360.0 80.7 360.0 2.2 6.2 24.6