==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-MAY-09 3HBE . COMPND 2 MOLECULE: CLASS IV CHITINASE CHIA4-PA2; . SOURCE 2 ORGANISM_SCIENTIFIC: PICEA ABIES; . AUTHOR W.UBHAYASEKERA,S.L.MOWBRAY . 204 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9090.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 68.1 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 . 4 2.0 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 . 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 . 8 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 42.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.9 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 0 0 0 2 1 1 0 0 1 0 0 0 1 1 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 48 X S >> 0 0 112 0, 0.0 3,-1.3 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 8.3 -6.3 -20.4 10.7 2 49 X V H >> + 0 0 0 1,-0.3 4,-2.8 2,-0.2 3,-1.3 0.861 360.0 64.9 -57.2 -36.3 -7.5 -18.6 7.6 3 50 X G H 34 S+ 0 0 30 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.727 94.4 61.0 -62.9 -21.9 -10.6 -17.4 9.4 4 51 X G H <4 S+ 0 0 75 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.800 113.6 34.3 -71.7 -31.1 -8.4 -15.3 11.7 5 52 X I H << S+ 0 0 32 -3,-1.3 2,-0.7 -4,-0.6 -2,-0.2 0.863 123.3 43.7 -90.2 -42.1 -7.1 -13.4 8.7 6 53 X I S < S- 0 0 0 -4,-2.8 -1,-0.3 4,-0.1 2,-0.1 -0.904 80.4-167.0-108.7 101.7 -10.3 -13.3 6.6 7 54 X S > - 0 0 49 -2,-0.7 4,-2.6 -3,-0.2 5,-0.2 -0.349 36.6-106.6 -82.0 169.6 -13.3 -12.5 8.9 8 55 X Q H > S+ 0 0 79 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.911 123.1 53.7 -58.0 -43.1 -17.0 -12.8 8.1 9 56 X S H > S+ 0 0 93 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.908 108.6 48.0 -58.8 -43.0 -17.1 -9.0 7.9 10 57 X F H > S+ 0 0 23 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.935 112.5 48.5 -66.2 -44.1 -14.2 -8.9 5.4 11 58 X F H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.923 109.4 52.2 -62.2 -44.3 -15.8 -11.6 3.2 12 59 X N H X S+ 0 0 86 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.851 105.0 57.7 -60.6 -34.2 -19.2 -9.8 3.3 13 60 X G H X S+ 0 0 51 -4,-1.8 4,-0.6 -5,-0.2 -1,-0.2 0.924 111.3 41.3 -57.8 -47.3 -17.4 -6.7 2.1 14 61 X L H >< S+ 0 0 10 -4,-1.7 3,-0.6 1,-0.2 4,-0.3 0.923 120.5 41.6 -66.9 -47.7 -16.2 -8.5 -0.9 15 62 X A H >< S+ 0 0 19 -4,-2.8 3,-0.9 1,-0.2 -1,-0.2 0.718 103.0 70.9 -72.7 -22.5 -19.4 -10.3 -1.7 16 63 X G H 3< S+ 0 0 43 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.705 84.1 65.5 -75.4 -22.6 -21.6 -7.3 -0.9 17 64 X G T << S+ 0 0 74 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.1 0.699 77.8 104.8 -71.9 -21.4 -20.7 -5.2 -4.0 18 65 X A S < S- 0 0 8 -3,-0.9 51,-0.1 -4,-0.3 52,-0.1 -0.346 83.8-103.8 -62.2 138.8 -22.3 -7.8 -6.4 19 66 X A > - 0 0 56 1,-0.1 3,-2.3 2,-0.1 6,-0.2 -0.306 27.6-117.5 -60.1 147.1 -25.7 -6.7 -7.8 20 67 X S T 3 S+ 0 0 110 1,-0.3 -1,-0.1 -3,-0.1 5,-0.1 0.835 114.9 60.8 -59.3 -30.2 -28.6 -8.5 -6.2 21 68 X S T 3 S+ 0 0 108 3,-0.1 -1,-0.3 2,-0.0 2,-0.3 0.477 79.0 113.3 -77.0 -3.2 -29.4 -10.0 -9.6 22 69 X a X - 0 0 14 -3,-2.3 3,-1.2 1,-0.1 50,-0.1 -0.529 68.3-139.2 -68.0 133.5 -26.0 -11.8 -9.7 23 70 X E T 3 S+ 0 0 76 -2,-0.3 49,-0.2 1,-0.2 -1,-0.1 0.800 101.6 60.6 -60.8 -28.4 -26.2 -15.6 -9.5 24 71 X G T >> S+ 0 0 1 47,-2.9 4,-2.6 3,-0.1 3,-1.7 0.675 76.1 107.0 -73.0 -18.2 -23.2 -15.6 -7.2 25 72 X K T <4 S+ 0 0 93 -3,-1.2 4,-0.1 46,-0.4 46,-0.1 -0.505 98.2 2.9 -73.1 111.0 -24.9 -13.5 -4.5 26 73 X G T 34 S+ 0 0 68 -2,-0.7 -1,-0.3 2,-0.5 3,-0.1 0.307 123.6 76.1 93.7 -6.7 -25.8 -15.8 -1.6 27 74 X F T <4 S+ 0 0 25 -3,-1.7 2,-1.0 1,-0.2 -2,-0.2 0.804 84.4 60.9 -94.2 -48.5 -24.0 -18.7 -3.5 28 75 X Y S < S+ 0 0 6 -4,-2.6 -2,-0.5 42,-0.2 2,-0.3 -0.745 82.7 172.9 -80.4 103.8 -20.5 -17.6 -2.8 29 76 X T > - 0 0 35 -2,-1.0 4,-2.3 -3,-0.1 5,-0.1 -0.831 47.3-124.0-121.2 154.0 -20.5 -17.7 1.1 30 77 X Y H > S+ 0 0 35 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.867 112.3 58.1 -61.2 -37.5 -18.0 -17.3 3.9 31 78 X N H > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 108.5 45.0 -59.2 -45.6 -19.0 -20.8 5.2 32 79 X A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.892 113.0 51.2 -65.4 -43.0 -18.1 -22.4 1.9 33 80 X F H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.942 111.1 46.1 -60.7 -48.2 -14.8 -20.4 1.6 34 81 X I H X S+ 0 0 33 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.928 112.3 51.5 -65.5 -41.3 -13.6 -21.4 5.2 35 82 X A H X S+ 0 0 43 -4,-2.2 4,-0.8 -5,-0.3 -1,-0.2 0.923 113.9 44.9 -55.0 -45.1 -14.6 -25.0 4.6 36 83 X A H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.2 4,-0.4 0.919 111.4 52.1 -66.4 -44.4 -12.6 -25.0 1.3 37 84 X A H >< S+ 0 0 3 -4,-2.9 3,-1.1 1,-0.3 6,-0.3 0.888 108.5 50.1 -60.1 -42.9 -9.6 -23.2 2.8 38 85 X N H 3< S+ 0 0 103 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.709 99.5 68.6 -71.1 -19.0 -9.2 -25.6 5.7 39 86 X A T << S+ 0 0 53 -4,-0.8 2,-0.5 -3,-0.7 -1,-0.2 0.595 94.5 58.0 -76.0 -16.3 -9.3 -28.6 3.2 40 87 X Y S X S- 0 0 19 -3,-1.1 3,-2.1 -4,-0.4 -1,-0.2 -0.885 87.3-132.2-124.9 97.4 -5.9 -27.8 1.7 41 88 X S T 3 S+ 0 0 122 -2,-0.5 3,-0.1 1,-0.2 -3,-0.1 -0.153 89.2 21.4 -49.0 130.6 -3.0 -27.7 4.1 42 89 X G T >> S+ 0 0 12 1,-0.3 3,-1.4 -4,-0.1 4,-0.6 0.162 81.4 136.5 98.4 -19.7 -0.8 -24.6 3.8 43 90 X F T <4 S- 0 0 1 -3,-2.1 -1,-0.3 -6,-0.3 -41,-0.2 -0.529 91.7 -17.4 -69.8 114.1 -3.4 -22.4 2.0 44 91 X G T 34 S+ 0 0 1 -2,-0.5 -1,-0.3 -3,-0.1 -39,-0.1 0.643 127.6 84.6 63.0 17.6 -3.1 -19.0 3.7 45 92 X T T <4 + 0 0 56 -3,-1.4 2,-0.5 6,-0.1 -2,-0.2 0.141 63.7 103.1-130.6 14.2 -1.3 -20.6 6.6 46 93 X T S < S- 0 0 47 -4,-0.6 9,-0.2 5,-0.1 2,-0.1 -0.890 78.1 -12.4-104.4 127.0 2.2 -20.6 5.1 47 94 X G S S- 0 0 50 -2,-0.5 108,-0.0 4,-0.1 5,-0.0 -0.346 100.7 -19.2 89.9-168.0 4.8 -18.0 6.2 48 95 X S S > S- 0 0 69 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.125 73.8 -94.0 -69.5 171.0 4.7 -14.8 8.3 49 96 X N H > S+ 0 0 105 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.892 128.5 49.7 -54.4 -40.4 1.4 -12.9 8.8 50 97 X D H > S+ 0 0 74 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.876 109.7 50.6 -68.7 -37.4 2.3 -10.7 5.8 51 98 X V H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.918 112.6 46.6 -65.3 -43.7 2.9 -13.7 3.6 52 99 X K H X S+ 0 0 44 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.912 112.7 49.7 -63.6 -44.0 -0.4 -15.2 4.6 53 100 X K H X S+ 0 0 59 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.911 111.6 48.5 -62.7 -42.1 -2.2 -12.0 4.1 54 101 X R H X S+ 0 0 58 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.897 110.3 51.3 -67.8 -37.3 -0.7 -11.5 0.6 55 102 X E H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.952 113.7 43.8 -62.4 -48.0 -1.5 -15.1 -0.4 56 103 X L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.904 113.9 50.4 -65.3 -39.6 -5.2 -14.7 0.7 57 104 X A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.896 111.4 49.9 -60.2 -40.8 -5.3 -11.2 -1.0 58 105 X A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.924 111.0 48.8 -66.3 -44.3 -3.8 -12.8 -4.2 59 106 X F H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.963 115.2 43.6 -57.1 -53.2 -6.4 -15.6 -4.1 60 107 X F H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.849 109.8 55.9 -66.4 -32.5 -9.3 -13.2 -3.6 61 108 X A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.934 111.6 43.4 -64.1 -46.3 -8.0 -10.7 -6.2 62 109 X N H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.903 115.0 50.6 -64.3 -40.2 -7.9 -13.5 -8.9 63 110 X V H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 7,-0.4 0.932 109.4 50.2 -61.5 -45.9 -11.4 -14.7 -7.7 64 111 X M H X>S+ 0 0 13 -4,-3.2 5,-3.0 1,-0.2 4,-0.6 0.922 113.2 46.9 -61.1 -41.0 -12.9 -11.2 -7.9 65 112 X H H ><5S+ 0 0 40 -4,-2.2 3,-1.1 -5,-0.2 -2,-0.2 0.958 112.8 47.6 -62.2 -50.4 -11.5 -10.8 -11.4 66 113 X E H 3<5S+ 0 0 50 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.740 121.0 36.8 -64.9 -29.8 -12.7 -14.3 -12.6 67 114 X T H 3X>S- 0 0 0 -4,-1.9 5,-2.5 35,-0.2 4,-1.9 0.281 110.0-112.7-108.9 7.1 -16.2 -13.8 -11.2 68 115 X G T <<5S- 0 0 43 -3,-1.1 -3,-0.2 -4,-0.6 -4,-0.1 0.916 89.8 -33.6 59.4 43.1 -16.8 -10.1 -11.8 69 116 X G T 4 - 0 0 38 31,-0.4 3,-2.1 -2,-0.2 -1,-0.1 -0.798 29.5-113.2 -86.9 123.8 -19.3 -37.1 -21.1 93 140 X S T 3 S+ 0 0 122 -2,-0.6 3,-0.1 1,-0.3 -1,-0.0 -0.280 100.8 20.5 -55.4 133.3 -21.6 -36.5 -24.1 94 141 X G T 3 S+ 0 0 77 1,-0.3 2,-0.3 -3,-0.0 -1,-0.3 0.327 100.4 111.2 90.7 -8.3 -24.0 -33.7 -23.4 95 142 X K < - 0 0 54 -3,-2.1 2,-0.4 28,-0.1 -1,-0.3 -0.705 55.1-145.2 -99.8 152.6 -22.0 -32.1 -20.6 96 143 X S - 0 0 18 -2,-0.3 -14,-0.2 -3,-0.1 -15,-0.1 -0.954 10.1-164.4-118.2 136.3 -20.2 -28.8 -20.6 97 144 X Y + 0 0 0 -16,-3.3 10,-2.2 -2,-0.4 3,-0.1 -0.160 41.1 146.8-107.1 34.9 -16.9 -28.1 -18.8 98 145 X H - 0 0 24 8,-0.2 -17,-0.1 1,-0.2 -2,-0.1 -0.166 63.2 -63.3 -63.4 165.2 -17.3 -24.3 -19.2 99 146 X G + 0 0 0 5,-0.1 -24,-2.6 7,-0.1 2,-0.3 -0.247 62.6 172.9 -58.5 130.2 -16.0 -22.1 -16.4 100 147 X R B > +AB 74 105A 10 5,-1.0 5,-1.8 -26,-0.2 3,-0.3 -0.998 35.8 3.2-137.5 143.3 -17.7 -22.6 -13.0 101 148 X G T > 5S- 0 0 0 -28,-1.9 3,-1.8 -2,-0.3 36,-0.1 -0.153 103.4 -32.3 84.9-175.3 -17.0 -21.2 -9.6 102 149 X P T 3 5S+ 0 0 0 0, 0.0 -36,-0.2 0, 0.0 -1,-0.2 0.752 141.3 27.8 -58.2 -31.2 -14.5 -18.8 -8.0 103 150 X L T 3 5S- 0 0 18 -3,-0.3 -2,-0.1 33,-0.3 3,-0.1 0.158 110.3-114.4-116.2 17.6 -11.6 -19.5 -10.3 104 151 X Q T < 5 - 0 0 24 -3,-1.8 -3,-0.2 1,-0.2 -5,-0.1 0.916 32.0-146.9 55.1 52.0 -13.8 -20.6 -13.3 105 152 X L B < -B 100 0A 8 -5,-1.8 -5,-1.0 -6,-0.1 2,-0.3 -0.279 26.1-178.8 -48.1 128.2 -12.7 -24.2 -13.5 106 153 X S + 0 0 25 -7,-0.2 4,-0.3 -3,-0.1 -8,-0.2 -0.967 27.3 37.8-139.7 151.4 -12.7 -25.3 -17.1 107 154 X W S >> S- 0 0 72 -10,-2.2 4,-2.4 -2,-0.3 3,-0.7 0.514 74.7 -99.0 85.4 138.9 -12.0 -28.4 -19.3 108 155 X N H 3> S+ 0 0 0 -26,-1.4 4,-2.8 1,-0.2 5,-0.2 0.835 120.4 56.8 -49.9 -41.4 -12.8 -32.1 -18.8 109 156 X Y H 3> S+ 0 0 71 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.856 110.9 42.9 -67.3 -34.4 -9.2 -32.8 -17.7 110 157 X N H <> S+ 0 0 28 -3,-0.7 4,-2.6 -4,-0.3 5,-0.2 0.892 114.0 49.9 -75.7 -40.2 -9.5 -30.2 -14.9 111 158 X Y H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 11,-0.2 0.912 110.5 51.5 -62.2 -43.0 -13.0 -31.2 -13.8 112 159 X G H X S+ 0 0 5 -4,-2.8 4,-2.0 10,-0.2 10,-0.3 0.956 113.8 42.2 -58.0 -52.0 -11.9 -34.9 -13.7 113 160 X A H X S+ 0 0 23 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.894 114.0 51.8 -66.0 -39.7 -8.9 -34.2 -11.5 114 161 X A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.926 109.5 50.2 -60.5 -45.5 -10.7 -31.7 -9.2 115 162 X G H X>S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 5,-1.6 0.886 107.1 54.2 -62.3 -39.4 -13.5 -34.2 -8.7 116 163 X K H <5S+ 0 0 181 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.904 114.8 40.9 -60.1 -40.8 -11.0 -36.9 -7.7 117 164 X S H <5S+ 0 0 58 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.914 122.9 37.3 -71.4 -43.8 -9.5 -34.6 -5.1 118 165 X I H <5S- 0 0 26 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.746 112.1-107.4 -88.4 -29.0 -12.7 -33.2 -3.7 119 166 X G T <5S+ 0 0 70 -4,-2.7 2,-0.3 1,-0.4 -3,-0.2 0.820 78.0 101.6 102.4 39.5 -15.0 -36.2 -3.8 120 167 X F S - 0 0 66 -2,-0.3 4,-2.4 1,-0.2 7,-0.2 -0.710 38.0-178.8 -87.9 96.4 -17.8 -36.9 -10.2 122 169 X G T 4 S+ 0 0 3 -2,-1.2 -10,-0.2 -10,-0.3 -1,-0.2 0.808 79.4 46.6 -67.1 -30.7 -16.2 -34.1 -12.2 123 170 X L T 4 S+ 0 0 22 -12,-0.2 -31,-0.4 2,-0.2 -1,-0.2 0.913 124.1 29.1 -78.1 -43.1 -16.8 -35.7 -15.6 124 171 X N T 4 S+ 0 0 69 1,-0.2 -2,-0.2 -33,-0.1 -1,-0.1 0.664 132.0 32.4 -93.5 -18.4 -20.5 -36.7 -15.1 125 172 X N >< + 0 0 64 -4,-2.4 3,-2.0 1,-0.1 4,-0.3 -0.281 62.4 144.5-134.5 53.0 -21.6 -34.0 -12.7 126 173 X P G > + 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.791 67.7 73.8 -62.3 -25.8 -19.6 -30.9 -13.6 127 174 X E G > S+ 0 0 55 1,-0.3 3,-1.7 2,-0.2 4,-0.5 0.702 75.7 78.9 -59.1 -21.5 -22.7 -28.9 -12.7 128 175 X K G X> S+ 0 0 86 -3,-2.0 4,-2.6 1,-0.3 3,-1.1 0.835 82.9 64.5 -57.6 -28.8 -22.0 -29.6 -9.0 129 176 X V G <4 S+ 0 0 0 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.768 109.1 39.1 -68.1 -22.5 -19.4 -26.8 -9.2 130 177 X G G <4 S+ 0 0 17 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.386 122.1 42.4-102.1 2.3 -22.3 -24.4 -9.9 131 178 X Q T <4 S+ 0 0 137 -3,-1.1 2,-0.6 -4,-0.5 -2,-0.2 0.657 103.7 59.5-120.8 -30.1 -24.7 -25.9 -7.4 132 179 X D X - 0 0 71 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 -0.941 64.6-157.2-112.3 112.9 -22.8 -26.8 -4.2 133 180 X S H > S+ 0 0 33 -2,-0.6 4,-2.4 2,-0.2 5,-0.2 0.852 93.0 46.3 -54.9 -45.0 -21.1 -23.7 -2.6 134 181 X T H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.934 113.0 48.1 -70.8 -44.7 -18.5 -25.7 -0.7 135 182 X I H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.934 110.3 55.7 -56.4 -43.3 -17.6 -27.8 -3.7 136 183 X S H X S+ 0 0 0 -4,-2.8 4,-1.1 -8,-0.3 3,-0.3 0.954 111.5 40.5 -56.7 -54.3 -17.4 -24.6 -5.7 137 184 X F H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-0.4 0.878 110.6 59.4 -64.9 -34.7 -14.9 -22.9 -3.4 138 185 X K H X S+ 0 0 56 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.880 100.2 56.3 -61.6 -35.0 -13.0 -26.2 -3.0 139 186 X T H X S+ 0 0 2 -4,-2.3 4,-2.0 -3,-0.3 -1,-0.2 0.872 109.3 47.4 -62.9 -32.1 -12.4 -26.3 -6.8 140 187 X A H X S+ 0 0 1 -4,-1.1 4,-2.3 -3,-0.4 -2,-0.2 0.924 114.1 43.5 -75.1 -44.2 -10.7 -22.9 -6.5 141 188 X V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.911 114.4 52.5 -67.3 -40.8 -8.5 -23.7 -3.5 142 189 X W H X>S+ 0 0 12 -4,-2.8 4,-3.2 -5,-0.2 5,-1.0 0.931 110.2 47.5 -55.9 -48.0 -7.6 -27.0 -5.2 143 190 X F H X5S+ 0 0 38 -4,-2.0 4,-1.0 -5,-0.2 7,-0.3 0.939 113.6 48.7 -60.8 -44.7 -6.6 -25.2 -8.4 144 191 X W H <5S+ 0 0 0 -4,-2.3 7,-2.0 1,-0.2 -1,-0.2 0.863 125.4 26.8 -60.1 -41.2 -4.6 -22.7 -6.4 145 192 X M H <5S+ 0 0 31 -4,-2.5 -2,-0.2 5,-0.1 -3,-0.2 0.795 135.8 19.6 -95.4 -35.3 -2.7 -25.4 -4.3 146 193 X K H <5S+ 0 0 142 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.1 0.563 123.1 42.4-119.0 -18.8 -2.7 -28.5 -6.5 147 194 X N S < S+ 0 0 111 -2,-0.3 4,-2.9 17,-0.3 5,-0.2 0.198 84.0 108.0 -88.4 14.8 1.9 -22.7 -9.6 150 197 X C H > S+ 0 0 0 -7,-0.3 4,-2.2 2,-0.2 5,-0.2 0.941 81.3 40.5 -62.2 -51.3 -0.2 -20.0 -7.7 151 198 X H H > S+ 0 0 34 -7,-2.0 4,-1.3 -3,-0.3 -1,-0.2 0.940 117.4 48.9 -61.7 -46.4 0.6 -21.1 -4.2 152 199 X S H 4 S+ 0 0 52 -4,-0.3 3,-0.3 1,-0.2 6,-0.2 0.912 111.4 50.5 -61.8 -42.0 4.3 -21.7 -5.0 153 200 X A H ><>S+ 0 0 0 -4,-2.9 5,-2.0 1,-0.2 3,-1.5 0.947 111.4 46.0 -59.0 -51.1 4.6 -18.3 -6.7 154 201 X I H 3<5S+ 0 0 14 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.668 116.2 46.4 -74.8 -14.5 3.1 -16.3 -3.9 155 202 X T T 3<5S+ 0 0 50 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.202 110.6 52.9-108.7 15.7 5.2 -18.2 -1.3 156 203 X S T < 5S- 0 0 75 -3,-1.5 -2,-0.2 -4,-0.1 -1,-0.1 0.151 120.1 -91.5-134.2 18.8 8.6 -17.9 -3.2 157 204 X G T 5S+ 0 0 59 -4,-0.2 -3,-0.2 -3,-0.2 -4,-0.1 0.505 91.8 118.5 86.7 8.0 8.8 -14.2 -3.9 158 205 X Q >< - 0 0 88 -5,-2.0 4,-1.4 -6,-0.2 -4,-0.2 0.562 61.4-156.4 -81.7 -7.1 7.1 -14.1 -7.3 159 206 X G H >> - 0 0 11 -6,-0.6 4,-1.0 2,-0.2 3,-0.8 0.107 43.0 -44.8 63.9-174.5 4.5 -11.8 -5.9 160 207 X F H >> S+ 0 0 0 40,-0.4 4,-1.8 38,-0.4 3,-0.9 0.881 136.2 61.3 -55.9 -39.5 1.0 -11.2 -7.2 161 208 X G H 3> S+ 0 0 4 40,-2.6 4,-2.5 1,-0.3 -1,-0.2 0.850 98.2 57.7 -57.6 -35.8 2.3 -11.1 -10.7 162 209 X G H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 3,-0.5 0.952 111.0 49.1 -61.7 -47.7 -1.3 -14.0 -12.7 165 212 X K H 3X S+ 0 0 133 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.870 110.4 51.5 -57.9 -37.5 1.4 -15.8 -14.7 166 213 X A H 3< S+ 0 0 27 -4,-1.7 -17,-0.3 2,-0.2 -1,-0.2 0.787 117.7 37.8 -69.5 -29.8 0.4 -19.1 -13.0 167 214 X I H << S- 0 0 34 -4,-1.5 -2,-0.2 -3,-0.5 -3,-0.2 0.860 140.1 -3.9 -90.9 -45.8 -3.3 -18.6 -13.9 168 215 X N H >< + 0 0 46 -4,-3.0 3,-1.8 -5,-0.2 4,-0.3 -0.575 60.0 179.0-155.4 80.7 -3.2 -17.1 -17.4 169 216 X S G >< S+ 0 0 74 -4,-0.6 3,-1.3 1,-0.3 6,-0.2 0.725 75.2 75.5 -61.0 -24.7 0.3 -16.4 -18.6 170 217 X M G 3 S+ 0 0 136 1,-0.3 -1,-0.3 5,-0.1 -5,-0.1 0.724 88.7 60.6 -59.6 -22.8 -1.1 -15.0 -22.0 171 218 X E G < >S+ 0 0 2 -3,-1.8 5,-2.0 4,-0.2 3,-0.4 0.764 92.9 83.2 -74.6 -26.7 -2.1 -11.8 -20.1 172 219 X c T X 5S+ 0 0 7 -3,-1.3 3,-2.0 -4,-0.3 5,-0.1 -0.116 79.1 34.3 -77.2 172.3 1.4 -11.0 -19.1 173 220 X N T 3 5S- 0 0 157 31,-3.1 -1,-0.2 1,-0.3 4,-0.1 0.790 141.2 -49.1 52.9 33.1 4.2 -9.2 -21.1 174 221 X G T 3 5S+ 0 0 65 -3,-0.4 3,-0.4 2,-0.1 -1,-0.3 0.493 104.5 127.5 88.5 4.1 1.5 -7.0 -22.8 175 222 X G T < 5S- 0 0 50 -3,-2.0 -4,-0.2 1,-0.3 2,-0.2 0.974 95.3 -11.8 -54.6 -59.1 -0.8 -9.9 -23.8 176 223 X N >< + 0 0 64 -5,-2.0 4,-2.1 1,-0.1 3,-0.3 -0.710 67.3 177.8-145.5 90.9 -3.8 -8.2 -22.1 177 224 X S H > S+ 0 0 86 -3,-0.4 4,-2.8 1,-0.2 5,-0.1 0.813 82.5 58.8 -67.0 -31.2 -2.8 -5.3 -20.0 178 225 X G H > S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.890 107.2 47.2 -61.0 -42.0 -6.4 -4.4 -19.1 179 226 X E H > S+ 0 0 68 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.917 112.6 48.6 -66.9 -44.5 -6.9 -7.9 -17.6 180 227 X V H X S+ 0 0 7 -4,-2.1 4,-3.0 -9,-0.3 5,-0.2 0.945 111.6 50.5 -57.3 -47.0 -3.6 -7.7 -15.7 181 228 X S H X S+ 0 0 76 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.836 107.4 54.3 -62.6 -34.6 -4.8 -4.2 -14.4 182 229 X S H X S+ 0 0 40 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.942 112.6 42.2 -62.2 -50.6 -8.1 -5.6 -13.3 183 230 X R H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.931 115.9 49.2 -61.6 -49.1 -6.5 -8.3 -11.2 184 231 X V H X S+ 0 0 15 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.892 107.4 55.1 -58.3 -44.3 -3.9 -5.9 -9.8 185 232 X N H X S+ 0 0 104 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.928 110.3 46.0 -56.6 -47.3 -6.6 -3.3 -8.9 186 233 X Y H X S+ 0 0 61 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.917 111.6 52.4 -60.2 -43.8 -8.4 -5.9 -6.9 187 234 X Y H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.924 110.3 46.6 -60.5 -44.4 -5.1 -7.1 -5.2 188 235 X K H X S+ 0 0 110 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.900 113.1 49.6 -65.8 -40.7 -4.2 -3.6 -4.1 189 236 X K H X S+ 0 0 118 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.928 113.5 45.7 -62.7 -44.8 -7.7 -2.9 -2.8 190 237 X I H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.914 111.5 51.4 -69.2 -40.2 -7.7 -6.1 -0.8 191 238 X C H X>S+ 0 0 0 -4,-2.7 5,-2.2 -5,-0.2 4,-1.0 0.935 109.7 51.5 -58.2 -44.9 -4.2 -5.6 0.5 192 239 X S H <5S+ 0 0 86 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.878 109.8 48.8 -59.5 -40.5 -5.3 -2.1 1.7 193 240 X Q H <5S+ 0 0 94 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.803 114.5 45.5 -70.3 -31.1 -8.4 -3.5 3.5 194 241 X L H <5S- 0 0 28 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.566 110.7-126.1 -85.2 -10.5 -6.1 -6.1 5.1 195 242 X G T <5 + 0 0 65 -4,-1.0 2,-0.4 -3,-0.3 -3,-0.2 0.797 64.7 132.3 68.8 31.3 -3.6 -3.4 6.0 196 243 X V < - 0 0 9 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.878 64.3-110.3-112.6 143.8 -0.7 -5.3 4.3 197 244 X D - 0 0 108 -2,-0.4 -143,-0.1 1,-0.1 -9,-0.0 -0.572 26.2-130.7 -65.3 133.9 1.9 -4.0 1.9 198 245 X P - 0 0 35 0, 0.0 -38,-0.4 0, 0.0 -1,-0.1 0.702 43.0-149.0 -61.6 -20.0 1.2 -5.5 -1.6 199 246 X G - 0 0 28 -40,-0.1 3,-0.3 -39,-0.1 2,-0.1 -0.267 27.8 -41.2 83.3-169.7 4.9 -6.4 -1.8 200 247 X A S S+ 0 0 76 1,-0.2 -40,-0.4 2,-0.1 -39,-0.2 -0.422 112.6 33.2 -91.9 167.5 7.1 -6.7 -4.9 201 248 X N + 0 0 104 -42,-0.2 -40,-2.6 -2,-0.1 -39,-0.5 0.887 66.4 155.8 56.4 45.3 6.4 -8.1 -8.4 202 249 X V + 0 0 29 -3,-0.3 2,-0.1 -42,-0.2 -1,-0.1 0.830 58.6 36.3 -71.5 -33.7 2.7 -7.0 -8.2 203 250 X S 0 0 74 -43,-0.1 -42,-0.2 1,-0.1 -31,-0.1 -0.449 360.0 360.0-113.4-179.4 2.2 -6.9 -12.0 204 251 X c 0 0 47 -2,-0.1 -31,-3.1 -33,-0.1 -1,-0.1 0.352 360.0 360.0-151.2 360.0 3.3 -8.9 -15.1