==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-APR-03 1P6E . COMPND 2 MOLECULE: PHOSPHOLIPASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR N.M.ANTIKAINEN,A.F.MONZINGO,C.L.FRANKLIN,J.D.ROBERTUS, . 245 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10786.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 73.9 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 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 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 52.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 2 0 0 1 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 1 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 W 0 0 3 0, 0.0 146,-0.1 0, 0.0 145,-0.1 0.000 360.0 360.0 360.0 165.0 45.4 24.0 8.1 2 2 A S + 0 0 3 144,-0.4 12,-2.2 1,-0.1 13,-0.2 -0.159 360.0 171.8 -68.5 164.7 46.4 20.9 6.1 3 3 A A + 0 0 0 9,-0.2 9,-0.3 8,-0.2 52,-0.1 -0.178 23.8 144.5-169.0 50.8 45.5 17.4 7.0 4 4 A E + 0 0 86 7,-2.4 2,-0.4 1,-0.1 8,-0.2 0.738 65.9 44.3 -71.1 -28.2 46.6 15.4 4.0 5 5 A D S S- 0 0 45 3,-0.3 10,-0.2 6,-0.3 -1,-0.1 -0.982 70.3-143.0-127.5 132.6 47.7 12.4 5.9 6 6 A K S S+ 0 0 70 -2,-0.4 46,-0.1 1,-0.2 -1,-0.1 0.819 99.3 15.1 -57.8 -35.7 46.0 10.6 8.7 7 7 A H S S+ 0 0 85 45,-0.0 2,-0.5 1,-0.0 -1,-0.2 0.395 105.7 85.8-126.8 6.5 49.1 9.7 10.6 8 8 A K > - 0 0 129 -3,-0.1 3,-0.5 1,-0.1 -3,-0.3 -0.938 52.5-158.8-114.7 128.5 52.0 11.8 9.3 9 9 A E G > S+ 0 0 52 -2,-0.5 3,-1.4 1,-0.2 7,-0.2 0.758 82.1 82.7 -71.3 -26.7 52.8 15.4 10.5 10 10 A G G 3 S+ 0 0 54 1,-0.3 -1,-0.2 2,-0.0 3,-0.1 0.867 112.6 14.5 -44.7 -47.4 54.8 16.1 7.4 11 11 A V G < S+ 0 0 64 -3,-0.5 -7,-2.4 1,-0.1 -6,-0.3 0.042 116.9 78.5-118.6 23.4 51.6 17.0 5.5 12 12 A N <> + 0 0 0 -3,-1.4 4,-2.1 -9,-0.3 3,-0.4 -0.679 43.8 172.1-135.1 82.4 49.2 17.3 8.4 13 13 A S H > S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.871 81.2 60.7 -55.5 -38.8 49.5 20.6 10.2 14 14 A H H > S+ 0 0 3 -12,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.912 107.7 42.4 -55.9 -46.7 46.4 19.8 12.2 15 15 A L H > S+ 0 0 0 -3,-0.4 4,-2.8 -13,-0.2 -1,-0.2 0.872 112.8 55.2 -67.5 -37.6 48.0 16.7 13.7 16 16 A W H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.911 105.3 51.8 -62.3 -42.9 51.2 18.6 14.2 17 17 A I H X S+ 0 0 2 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.873 113.4 45.4 -63.0 -35.3 49.4 21.3 16.2 18 18 A V H X S+ 0 0 3 -4,-1.4 4,-2.4 -5,-0.2 -2,-0.2 0.922 111.0 50.7 -75.1 -44.6 47.9 18.6 18.5 19 19 A N H X S+ 0 0 18 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.868 112.7 48.0 -60.8 -37.4 51.1 16.6 19.0 20 20 A R H X S+ 0 0 32 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.858 109.6 52.5 -71.7 -35.6 52.9 19.8 20.0 21 21 A A H X S+ 0 0 0 -4,-1.4 4,-1.5 -5,-0.2 -2,-0.2 0.898 108.7 50.7 -65.5 -39.3 50.1 20.8 22.3 22 22 A I H X S+ 0 0 4 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.873 106.7 54.7 -65.5 -36.5 50.4 17.3 23.9 23 23 A D H X S+ 0 0 52 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.866 103.8 55.6 -64.3 -34.8 54.2 18.0 24.3 24 24 A I H X S+ 0 0 0 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.896 107.8 48.6 -64.0 -38.6 53.3 21.2 26.1 25 25 A M H < S+ 0 0 0 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.865 111.5 49.5 -68.5 -36.2 51.2 19.1 28.6 26 26 A S H < S+ 0 0 50 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.900 109.6 51.7 -68.6 -40.2 54.1 16.6 29.0 27 27 A R H < S+ 0 0 119 -4,-2.6 2,-0.5 133,-0.2 134,-0.3 0.766 91.4 90.3 -68.5 -25.3 56.6 19.5 29.6 28 28 A N < + 0 0 9 -4,-1.3 134,-0.0 -5,-0.2 6,-0.0 -0.617 46.3 170.2 -77.3 123.3 54.3 20.9 32.3 29 29 A T + 0 0 128 -2,-0.5 -1,-0.1 2,-0.1 -4,-0.0 0.266 68.2 55.9-115.4 9.5 55.2 19.5 35.7 30 30 A T S S+ 0 0 128 3,-0.0 -2,-0.1 0, 0.0 -1,-0.1 0.697 121.0 11.2-112.4 -26.5 53.1 21.7 38.0 31 31 A L S S+ 0 0 72 -6,-0.1 2,-0.2 1,-0.0 -2,-0.1 0.748 99.6 86.4-121.7 -40.4 49.6 21.4 36.8 32 32 A V - 0 0 12 -7,-0.2 2,-0.8 1,-0.1 -1,-0.0 -0.485 64.4-137.4 -76.4 133.1 49.1 18.6 34.2 33 33 A K >> - 0 0 140 -2,-0.2 3,-2.4 1,-0.1 4,-0.5 -0.806 13.5-149.1 -86.2 113.0 48.4 15.0 35.3 34 34 A Q H 3> S+ 0 0 78 -2,-0.8 4,-2.0 1,-0.3 -1,-0.1 0.635 91.0 77.1 -59.1 -15.8 50.6 12.9 33.0 35 35 A D H 3> S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.798 90.6 57.6 -64.1 -26.4 48.1 10.1 33.1 36 36 A R H <> S+ 0 0 27 -3,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.874 104.2 48.8 -72.6 -37.8 46.1 12.3 30.7 37 37 A V H X S+ 0 0 12 -4,-0.5 4,-1.7 1,-0.2 -2,-0.2 0.882 108.9 54.8 -68.2 -37.1 48.9 12.4 28.2 38 38 A A H X S+ 0 0 55 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.898 107.2 50.4 -61.2 -42.0 49.2 8.6 28.5 39 39 A Q H X S+ 0 0 26 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.863 106.3 54.5 -64.7 -39.1 45.5 8.3 27.6 40 40 A L H < S+ 0 0 0 -4,-1.6 7,-0.2 1,-0.2 -1,-0.2 0.880 112.5 42.9 -63.6 -39.8 45.8 10.4 24.5 41 41 A N H >< S+ 0 0 74 -4,-1.7 3,-1.4 1,-0.2 4,-0.3 0.826 107.5 60.6 -76.1 -30.6 48.6 8.2 23.2 42 42 A E H 3< S+ 0 0 129 -4,-1.9 3,-0.2 1,-0.3 -2,-0.2 0.876 118.2 30.3 -63.7 -35.9 46.7 5.1 24.1 43 43 A W T 3X S+ 0 0 58 -4,-1.6 4,-2.2 1,-0.2 3,-0.4 -0.050 82.8 126.8-112.1 30.3 43.9 6.1 21.9 44 44 A R H <> + 0 0 53 -3,-1.4 4,-3.2 1,-0.2 5,-0.3 0.839 68.7 58.8 -55.4 -38.4 46.1 8.0 19.4 45 45 A T H > S+ 0 0 78 -4,-0.3 4,-1.7 -3,-0.2 -1,-0.2 0.910 109.8 41.8 -60.3 -44.4 44.6 6.1 16.5 46 46 A E H > S+ 0 0 26 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.860 114.7 53.3 -70.6 -35.4 41.1 7.2 17.2 47 47 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 -7,-0.2 3,-0.2 0.978 111.6 43.0 -61.7 -57.1 42.4 10.7 17.9 48 48 A E H X S+ 0 0 16 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.832 109.9 58.6 -59.7 -34.1 44.2 11.0 14.6 49 49 A N H X S+ 0 0 51 -4,-1.7 4,-2.7 -5,-0.3 -1,-0.2 0.931 108.2 46.1 -60.8 -45.4 41.2 9.5 12.8 50 50 A G H X S+ 0 0 0 -4,-2.0 4,-1.3 -3,-0.2 -2,-0.2 0.916 109.6 52.8 -63.5 -44.9 39.0 12.2 14.1 51 51 A I H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.846 117.0 40.0 -59.6 -34.9 41.4 15.0 13.2 52 52 A Y H >X S+ 0 0 54 -4,-1.9 3,-1.6 -5,-0.2 4,-0.6 0.845 105.1 63.9 -82.8 -39.5 41.6 13.7 9.6 53 53 A A H >X S+ 0 0 4 -4,-2.7 4,-1.3 1,-0.3 3,-1.0 0.807 86.1 74.1 -57.2 -33.8 37.9 12.8 9.1 54 54 A A H 3< S+ 0 0 0 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.770 103.7 39.0 -53.3 -28.1 36.8 16.4 9.5 55 55 A N H <4 S+ 0 0 22 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.567 118.1 43.6-100.7 -9.7 38.2 17.1 6.0 56 56 A Y H << S+ 0 0 96 -3,-1.0 2,-0.3 -4,-0.6 -2,-0.2 0.485 106.0 32.7-119.2 1.0 37.2 14.0 4.0 57 57 A E S X S- 0 0 94 -4,-1.3 4,-2.0 6,-0.0 5,-0.2 -0.992 78.1 -56.6-155.5 161.1 33.7 13.0 4.8 58 58 A N T 4 S+ 0 0 76 -2,-0.3 -3,-0.0 1,-0.3 -2,-0.0 -0.493 104.5 14.8 -78.6 152.6 30.1 14.0 5.7 59 59 A P T >4 S+ 0 0 76 0, 0.0 3,-2.0 0, 0.0 -1,-0.3 -0.987 124.2 57.1 -84.6 -10.1 28.8 15.6 7.8 60 60 A Y T 34 S+ 0 0 27 1,-0.3 -2,-0.2 2,-0.1 8,-0.2 0.800 114.0 36.9 -47.3 -43.7 32.1 17.0 8.9 61 61 A Y T >X>S- 0 0 50 -4,-2.0 5,-2.2 -8,-0.2 4,-1.3 0.208 102.5-128.1-101.8 18.0 33.1 18.5 5.6 62 62 A D G X45S- 0 0 38 -3,-2.0 3,-0.9 1,-0.2 5,-0.3 0.847 71.0 -46.5 39.8 60.5 29.6 19.6 4.6 63 63 A N G 345S- 0 0 117 1,-0.2 -1,-0.2 2,-0.1 -5,-0.0 0.831 111.4 -53.6 56.5 36.9 29.5 18.1 1.1 64 64 A S G <45S+ 0 0 72 -3,-0.8 -1,-0.2 1,-0.0 -2,-0.2 0.719 122.3 99.9 72.9 23.4 32.9 19.4 0.2 65 65 A T T <<5S- 0 0 49 -4,-1.3 -3,-0.2 -3,-0.9 -2,-0.1 0.515 71.3-148.9-110.2 -13.1 32.2 23.0 1.0 66 66 A F > < + 0 0 64 -5,-2.2 3,-2.1 1,-0.1 -4,-0.2 0.731 40.6 153.3 49.6 28.6 33.9 22.9 4.4 67 67 A A G > + 0 0 2 -5,-0.3 3,-1.3 1,-0.3 19,-0.3 0.834 66.4 57.6 -54.8 -36.6 31.4 25.5 5.7 68 68 A S G 3 S+ 0 0 2 1,-0.3 -1,-0.3 -8,-0.2 21,-0.2 0.553 92.9 70.0 -74.3 -5.4 31.7 24.2 9.3 69 69 A H G < S+ 0 0 0 -3,-2.1 2,-0.3 16,-0.1 -1,-0.3 0.308 92.3 72.4 -92.1 7.6 35.5 24.8 9.2 70 70 A F < + 0 0 9 -3,-1.3 16,-2.4 14,-0.3 2,-0.2 -0.919 49.4 169.0-125.2 151.4 35.0 28.6 9.2 71 71 A Y - 0 0 8 57,-2.3 7,-0.2 -2,-0.3 3,-0.1 -0.745 18.5-158.0-162.6 109.0 33.8 31.1 11.8 72 72 A D B >> -A 77 0A 14 5,-3.0 4,-1.9 -2,-0.2 5,-0.7 -0.812 11.4-155.5 -88.9 114.7 34.0 34.9 11.6 73 73 A P T 45S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 108,-0.1 0.743 86.3 63.6 -63.4 -22.9 33.9 36.1 15.2 74 74 A D T 45S+ 0 0 129 1,-0.2 56,-0.0 3,-0.1 107,-0.0 0.907 124.7 11.2 -69.6 -42.7 32.4 39.5 14.3 75 75 A N T 45S- 0 0 88 -3,-0.4 -1,-0.2 2,-0.2 3,-0.1 0.386 98.1-124.4-114.7 -0.3 29.1 38.2 12.9 76 76 A G T <5 + 0 0 22 -4,-1.9 2,-0.2 1,-0.2 9,-0.1 0.769 69.3 121.2 62.7 29.3 29.4 34.6 14.1 77 77 A K B < -A 72 0A 131 -5,-0.7 -5,-3.0 7,-0.0 -1,-0.2 -0.764 57.0-132.1-122.9 165.8 28.9 33.2 10.6 78 78 A T - 0 0 10 2,-0.4 4,-0.1 5,-0.3 7,-0.1 -0.398 46.9 -88.8-100.7-175.8 30.7 31.0 8.1 79 79 A Y S S+ 0 0 77 -12,-0.2 -12,-0.1 -2,-0.1 54,-0.1 0.570 110.0 67.6 -76.0 -7.5 31.1 31.9 4.4 80 80 A I S > S- 0 0 56 -13,-0.2 3,-1.9 4,-0.1 -2,-0.4 -0.957 93.5-110.3-115.6 126.3 27.8 30.3 3.4 81 81 A P T 3 S+ 0 0 100 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.242 97.5 1.5 -54.5 133.7 24.5 31.8 4.5 82 82 A F T 3 S+ 0 0 211 1,-0.2 2,-0.1 -4,-0.1 -5,-0.0 0.512 99.8 132.9 66.8 7.1 22.6 29.7 7.1 83 83 A A < - 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0 0 30 2,-0.2 -1,-0.3 -2,-0.2 -3,-0.0 0.465 58.3 -87.4 -65.0-147.1 35.5 29.9 30.6 170 170 A T S S+ 0 0 107 -4,-0.0 -1,-0.1 71,-0.0 3,-0.0 0.449 99.3 97.0-106.7 -4.5 34.4 26.3 30.9 171 171 A N >> - 0 0 60 1,-0.1 3,-1.6 2,-0.0 4,-0.8 -0.779 69.4-145.9 -88.9 116.2 32.2 26.5 27.7 172 172 A P H >> S+ 0 0 2 0, 0.0 4,-1.7 0, 0.0 3,-0.5 0.808 96.4 66.7 -50.3 -32.7 34.1 25.2 24.7 173 173 A E H 3> S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.849 94.9 56.1 -58.5 -37.3 32.4 27.7 22.5 174 174 A E H <> S+ 0 0 98 -3,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.839 105.8 51.7 -64.6 -33.8 34.2 30.6 24.3 175 175 A W H < S+ 0 0 54 -4,-2.7 3,-1.2 1,-0.2 4,-0.4 0.839 100.1 60.4 -65.5 -30.5 41.2 37.5 12.7 185 185 A Q H 3< S+ 0 0 137 -4,-1.0 3,-0.4 1,-0.3 -1,-0.2 0.856 105.9 47.4 -62.7 -35.1 43.4 40.3 14.0 186 186 A D T >< S+ 0 0 15 -4,-0.9 3,-0.6 -3,-0.4 -1,-0.3 0.374 84.2 100.6 -88.0 4.5 46.4 38.8 12.3 187 187 A Y G X> S+ 0 0 56 -3,-1.2 4,-2.7 1,-0.2 3,-2.1 0.923 77.7 52.3 -54.4 -52.2 44.4 38.4 9.0 188 188 A S G 34 S+ 0 0 79 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.1 0.766 97.4 67.6 -58.5 -28.1 45.9 41.4 7.3 189 189 A G G <4 S+ 0 0 26 -3,-0.6 -1,-0.3 -4,-0.2 30,-0.3 0.536 116.7 25.3 -71.5 -3.4 49.4 40.2 8.1 190 190 A I T <4 S+ 0 0 0 -3,-2.1 2,-0.7 1,-0.3 -2,-0.2 0.652 121.9 48.2-123.9 -46.4 48.8 37.4 5.6 191 191 A V S < S+ 0 0 7 -4,-2.7 -1,-0.3 4,-0.1 2,-0.3 -0.905 76.1 119.5-107.0 112.4 46.1 38.5 3.2 192 192 A N S > S- 0 0 43 -2,-0.7 4,-2.9 -3,-0.1 5,-0.3 -0.959 77.1 -82.4-159.5 169.6 46.8 42.0 1.7 193 193 A D H > S+ 0 0 135 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.834 125.2 51.8 -48.4 -38.4 47.4 43.7 -1.6 194 194 A N H > S+ 0 0 78 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.979 112.6 40.5 -64.6 -59.4 51.1 42.7 -1.5 195 195 A T H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.883 116.5 52.4 -59.2 -37.6 50.7 39.0 -0.9 196 196 A K H X S+ 0 0 49 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.967 112.7 45.1 -61.4 -51.4 47.8 39.0 -3.4 197 197 A D H X S+ 0 0 66 -4,-2.5 4,-2.4 -5,-0.3 3,-0.3 0.936 115.2 44.8 -57.8 -53.1 49.9 40.7 -6.0 198 198 A W H X S+ 0 0 41 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.841 110.1 56.0 -63.6 -33.4 53.0 38.5 -5.5 199 199 A F H < S+ 0 0 21 -4,-2.2 4,-0.4 -5,-0.3 -1,-0.2 0.843 109.9 46.2 -67.4 -33.8 51.0 35.3 -5.4 200 200 A V H >< S+ 0 0 66 -4,-1.6 3,-1.0 -3,-0.3 4,-0.3 0.934 117.5 41.4 -72.5 -47.5 49.5 36.2 -8.8 201 201 A K H >X S+ 0 0 81 -4,-2.4 3,-1.5 1,-0.3 4,-1.2 0.799 99.6 75.1 -69.1 -28.9 52.9 37.1 -10.3 202 202 A A T 3< S+ 0 0 17 -4,-2.5 7,-0.3 1,-0.3 -1,-0.3 0.789 81.8 73.3 -52.9 -28.1 54.4 34.1 -8.5 203 203 A A T <4 S+ 0 0 88 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.906 112.4 22.0 -53.2 -45.8 52.6 32.1 -11.2 204 204 A V T <4 S+ 0 0 136 -3,-1.5 2,-0.4 -4,-0.3 -1,-0.2 0.428 124.1 55.8-104.7 -0.5 55.2 33.2 -13.8 205 205 A S >X - 0 0 25 -4,-1.2 3,-1.7 1,-0.1 4,-1.5 -0.893 53.1-162.8-142.2 112.2 58.1 34.2 -11.6 206 206 A Q H 3> S+ 0 0 141 -2,-0.4 4,-1.5 1,-0.3 5,-0.2 0.773 95.5 69.2 -55.9 -25.7 59.9 32.0 -9.0 207 207 A E H 3> S+ 0 0 97 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.848 103.0 40.6 -62.6 -37.2 61.2 35.3 -7.7 208 208 A Y H <> S+ 0 0 57 -3,-1.7 4,-1.9 -7,-0.2 5,-0.3 0.818 103.5 66.2 -83.3 -32.0 57.7 36.3 -6.5 209 209 A A H X S+ 0 0 18 -4,-1.5 4,-1.3 -7,-0.3 -2,-0.2 0.905 106.7 43.8 -54.6 -42.7 56.8 32.8 -5.2 210 210 A D H X S+ 0 0 105 -4,-1.5 4,-2.0 1,-0.2 -1,-0.3 0.792 106.3 64.3 -73.1 -29.0 59.5 33.3 -2.5 211 211 A K H X S+ 0 0 84 -4,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.927 106.7 38.0 -63.4 -47.6 58.4 36.9 -1.9 212 212 A W H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.870 112.8 58.3 -73.9 -32.6 55.0 36.1 -0.5 213 213 A R H X S+ 0 0 81 -4,-1.3 4,-0.9 -5,-0.3 -2,-0.2 0.916 109.7 44.4 -59.8 -43.0 56.2 33.1 1.3 214 214 A A H >< S+ 0 0 65 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.915 110.5 55.3 -67.0 -43.6 58.7 35.3 3.2 215 215 A E H 3< S+ 0 0 81 -4,-1.9 4,-0.4 1,-0.2 -2,-0.2 0.858 111.5 42.2 -58.8 -39.3 56.1 38.0 3.9 216 216 A V H 3X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.603 93.9 85.1 -86.8 -11.4 53.6 35.6 5.5 217 217 A T H S+ 0 0 92 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.950 115.5 41.4 -54.6 -51.6 56.4 35.8 10.7 219 219 A M H > S+ 0 0 43 -4,-0.4 4,-2.5 -30,-0.3 -2,-0.2 0.823 112.6 56.5 -65.3 -31.6 52.7 36.0 11.3 220 220 A T H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.939 106.1 50.0 -64.7 -46.1 52.4 32.3 10.5 221 221 A G H X S+ 0 0 3 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.912 111.6 48.3 -58.2 -44.1 54.9 31.5 13.2 222 222 A K H X S+ 0 0 91 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.902 112.0 49.0 -64.1 -42.0 52.9 33.6 15.7 223 223 A R H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.912 110.8 50.9 -64.7 -41.8 49.7 31.9 14.7 224 224 A L H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.914 109.2 49.6 -63.5 -43.4 51.1 28.4 15.0 225 225 A M H X S+ 0 0 64 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.912 111.9 48.1 -64.3 -40.4 52.6 29.0 18.5 226 226 A D H X S+ 0 0 25 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.930 107.8 55.8 -63.8 -44.2 49.3 30.4 19.8 227 227 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.867 107.7 49.5 -55.1 -40.4 47.4 27.4 18.3 228 228 A Q H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.908 113.6 44.6 -66.4 -44.9 49.6 25.0 20.2 229 229 A R H X S+ 0 0 42 -4,-1.9 -65,-2.1 2,-0.2 4,-1.8 0.889 116.1 45.8 -68.7 -40.3 49.1 26.9 23.6 230 230 A V H X S+ 0 0 2 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.895 112.8 50.6 -70.9 -38.8 45.4 27.3 23.1 231 231 A T H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.907 108.2 53.6 -65.1 -39.1 45.0 23.6 22.0 232 232 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.928 112.0 44.0 -60.7 -44.8 46.9 22.5 25.1 233 233 A G H X S+ 0 0 1 -4,-1.8 4,-1.7 1,-0.2 -67,-0.4 0.791 111.0 55.2 -69.8 -28.6 44.6 24.4 27.3 234 234 A Y H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.891 108.4 47.5 -69.7 -42.9 41.5 23.2 25.4 235 235 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.876 111.1 51.9 -66.1 -37.9 42.6 19.5 26.0 236 236 A Q H X S+ 0 0 2 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.868 108.1 51.8 -66.3 -37.9 43.2 20.2 29.7 237 237 A L H X S+ 0 0 6 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.912 106.4 54.5 -64.2 -43.7 39.7 21.8 30.0 238 238 A W H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.948 110.8 44.9 -55.6 -51.9 38.2 18.7 28.4 239 239 A F H X S+ 0 0 2 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.836 112.5 50.3 -63.2 -36.1 39.8 16.4 31.0 240 240 A D H < S+ 0 0 23 -4,-1.9 5,-0.4 2,-0.2 -1,-0.2 0.807 114.6 47.2 -71.5 -28.0 38.9 18.6 33.9 241 241 A T H < S+ 0 0 58 -4,-2.0 -2,-0.2 -5,-0.2 3,-0.2 0.907 130.1 17.7 -78.8 -45.6 35.3 18.7 32.6 242 242 A Y H < S+ 0 0 31 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.431 94.2 102.2-108.6 -0.5 34.8 15.0 32.0 243 243 A G S < S- 0 0 28 -4,-1.7 -1,-0.1 -5,-0.3 -4,-0.1 0.185 101.1-103.0 -71.1 19.4 37.7 13.6 34.0 244 244 A D 0 0 104 1,-0.2 -1,-0.1 -3,-0.2 -2,-0.1 0.812 360.0 360.0 65.2 35.5 35.2 12.6 36.8 245 245 A R 0 0 225 -5,-0.4 -1,-0.2 -4,-0.1 -2,-0.0 -0.799 360.0 360.0-133.1 360.0 36.0 15.5 39.2