==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-APR-06 2CKS . COMPND 2 MOLECULE: ENDOGLUCANASE E-5; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOBIFIDA FUSCA; . AUTHOR G.I.BERGLUND,P.J.GUALFETTI,C.REQUADT,L.S.GROSS,T.BERGFORS, . 611 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 456 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.6 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 42 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 5 4 0 0 0 2 0 2 0 2 3 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 6 3 3 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 PARALLEL BRIDGES PER LADDER . 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 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 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 1 126 A G 0 0 88 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.3 10.2 -5.7 -22.5 2 127 A T > - 0 0 38 1,-0.1 4,-2.2 91,-0.0 5,-0.2 -0.310 360.0-100.6 -72.7 164.8 9.6 -3.8 -19.2 3 128 A P H > S+ 0 0 17 0, 0.0 4,-2.3 0, 0.0 5,-0.4 0.935 125.8 50.9 -51.1 -46.7 10.6 -5.4 -15.9 4 129 A V H > S+ 0 0 26 88,-1.8 4,-1.9 1,-0.2 89,-0.1 0.888 112.1 46.7 -62.2 -38.5 7.0 -6.4 -15.3 5 130 A E H 4 S+ 0 0 139 87,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.854 114.0 48.2 -70.0 -33.9 6.8 -8.0 -18.8 6 131 A R H < S+ 0 0 127 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.820 125.9 24.0 -79.4 -32.3 10.1 -9.8 -18.4 7 132 A Y H < S- 0 0 53 -4,-2.3 13,-2.3 -5,-0.2 -3,-0.2 0.641 87.4-176.5-109.8 -21.2 9.6 -11.3 -14.9 8 133 A G < + 0 0 9 -4,-1.9 2,-1.5 -5,-0.4 -1,-0.2 -0.244 58.7 11.0 66.6-141.5 5.8 -11.5 -14.7 9 134 A K S S- 0 0 71 -4,-0.1 121,-0.1 121,-0.0 -1,-0.1 -0.556 80.4-153.1 -79.1 89.3 4.0 -12.6 -11.6 10 135 A V + 0 0 5 -2,-1.5 2,-0.3 119,-0.6 9,-0.2 -0.309 20.7 171.2 -67.5 145.9 6.8 -12.7 -9.1 11 136 A Q E -A 18 0A 61 7,-1.8 7,-2.8 8,-0.2 2,-0.2 -0.982 39.3 -92.0-148.4 154.7 6.5 -15.2 -6.2 12 137 A V E -A 17 0A 35 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.520 36.0-170.7 -68.7 136.1 8.7 -16.5 -3.4 13 138 A a E > -A 16 0A 43 3,-2.8 3,-2.4 -2,-0.2 2,-0.3 -0.978 61.5 -50.6-126.3 113.2 10.6 -19.6 -4.3 14 139 A G T 3 S- 0 0 72 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.428 124.6 -18.9 60.1-117.6 12.3 -21.2 -1.3 15 140 A T T 3 S+ 0 0 63 -2,-0.3 211,-0.3 209,-0.2 2,-0.3 0.167 127.5 66.3-106.3 14.9 14.3 -18.4 0.2 16 141 A Q E < S-A 13 0A 61 -3,-2.4 -3,-2.8 209,-0.2 2,-0.5 -0.857 82.3-107.6-130.9 163.8 14.3 -16.0 -2.8 17 142 A L E -A 12 0A 7 241,-0.4 8,-2.5 8,-0.3 2,-0.3 -0.838 45.0-167.5 -88.6 132.9 11.9 -13.9 -4.9 18 143 A a E -AB 11 24A 3 -7,-2.8 -7,-1.8 -2,-0.5 2,-0.1 -0.806 21.5-114.4-119.1 158.8 11.5 -15.5 -8.3 19 144 A D > - 0 0 19 4,-2.7 3,-1.7 -2,-0.3 -11,-0.2 -0.216 54.2 -83.7 -76.6-179.2 10.0 -14.6 -11.7 20 145 A E T 3 S+ 0 0 111 -13,-2.3 -12,-0.1 1,-0.3 -13,-0.1 0.481 128.8 53.4 -75.3 1.0 7.0 -16.5 -12.9 21 146 A H T 3 S- 0 0 145 2,-0.2 -1,-0.3 -14,-0.2 -13,-0.1 0.102 122.3 -97.4-117.9 18.9 9.2 -19.4 -14.3 22 147 A G S < S+ 0 0 49 -3,-1.7 -2,-0.1 1,-0.2 -12,-0.0 0.534 78.4 136.2 82.5 8.7 11.1 -20.1 -11.1 23 148 A N - 0 0 90 -16,-0.1 -4,-2.7 1,-0.0 -1,-0.2 -0.798 60.5-115.5 -86.9 122.9 14.2 -18.1 -11.8 24 149 A P B -B 18 0A 50 0, 0.0 2,-0.4 0, 0.0 -6,-0.3 -0.316 37.9-165.1 -54.5 136.1 15.5 -16.0 -8.9 25 150 A V - 0 0 6 -8,-2.5 2,-0.6 233,-0.2 -8,-0.3 -0.975 18.7-147.1-131.1 142.2 15.2 -12.3 -9.7 26 151 A Q - 0 0 26 -2,-0.4 2,-0.6 233,-0.1 233,-0.1 -0.942 15.6-160.4-108.6 109.0 16.7 -9.2 -8.1 27 152 A L - 0 0 0 -2,-0.6 234,-1.8 231,-0.2 2,-0.4 -0.821 13.1-174.9 -92.4 122.1 14.4 -6.2 -8.4 28 153 A R E +c 261 0B 40 -2,-0.6 29,-3.3 232,-0.2 30,-0.7 -0.949 22.5 106.0-121.9 139.6 16.2 -2.9 -7.9 29 154 A G E -cd 262 58B 0 232,-2.2 234,-2.1 -2,-0.4 2,-0.3 -0.800 54.0 -59.4-173.6-147.7 14.8 0.6 -7.8 30 155 A M E -cd 263 59B 0 28,-1.4 30,-2.2 232,-0.3 2,-0.4 -0.929 24.6-138.0-131.0 147.7 13.8 3.6 -5.7 31 156 A S E -cd 264 60B 0 232,-3.0 235,-2.7 -2,-0.3 234,-0.6 -0.864 24.0-130.6 -95.6 136.7 11.6 4.5 -2.8 32 157 A T - 0 0 1 28,-2.9 235,-0.2 -2,-0.4 2,-0.1 -0.369 24.9-117.0 -66.5 163.5 9.6 7.7 -2.8 33 158 A H - 0 0 10 233,-0.5 29,-0.4 1,-0.2 2,-0.1 -0.292 64.4 -48.8 -84.6-174.4 9.9 9.9 0.2 34 159 A G >> - 0 0 0 1,-0.2 4,-2.4 -2,-0.1 3,-1.7 -0.391 49.2-141.2 -64.0 130.0 6.7 10.4 2.1 35 160 A I H 3> S+ 0 0 6 27,-1.8 4,-0.6 1,-0.3 -1,-0.2 0.693 98.6 67.2 -68.9 -15.5 3.9 11.4 -0.3 36 161 A Q H 34 S+ 0 0 36 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.670 117.4 24.0 -72.8 -17.8 2.5 13.9 2.3 37 162 A W H <4 S+ 0 0 93 -3,-1.7 -2,-0.2 2,-0.0 3,-0.2 0.674 133.3 32.0-113.6 -32.8 5.7 16.0 1.8 38 163 A F H >< + 0 0 27 -4,-2.4 3,-1.2 1,-0.1 -5,-0.2 -0.109 69.5 122.2-128.5 34.5 7.1 15.1 -1.7 39 164 A D G >< S+ 0 0 61 -4,-0.6 3,-1.8 1,-0.2 -1,-0.1 0.838 72.2 65.4 -62.0 -34.6 4.0 14.4 -3.8 40 165 A H G 3 S+ 0 0 100 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.605 92.3 62.8 -66.6 -13.0 5.2 17.1 -6.1 41 166 A b G < S+ 0 0 0 -3,-1.2 2,-0.7 1,-0.1 -1,-0.3 0.435 88.8 78.0 -86.0 -3.2 8.3 15.0 -7.0 42 167 A L < + 0 0 5 -3,-1.8 2,-0.2 -4,-0.1 -1,-0.1 -0.849 64.7 136.4-114.5 92.8 6.1 12.3 -8.4 43 168 A T S > S- 0 0 49 -2,-0.7 4,-2.5 1,-0.1 5,-0.3 -0.775 70.4 -95.8-128.2 171.2 4.9 13.3 -11.9 44 169 A D H > S+ 0 0 90 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.952 126.0 47.6 -52.1 -48.5 4.6 11.9 -15.4 45 170 A S H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 113.7 43.6 -62.0 -48.0 8.0 13.3 -16.2 46 171 A S H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.860 116.5 47.1 -70.3 -34.4 9.8 12.1 -13.0 47 172 A L H X S+ 0 0 4 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.871 109.3 53.5 -76.3 -35.6 8.3 8.6 -13.1 48 173 A D H X>S+ 0 0 38 -4,-2.4 4,-3.0 -5,-0.3 5,-0.6 0.926 109.8 50.1 -60.0 -42.3 9.0 8.2 -16.9 49 174 A A H X>S+ 0 0 4 -4,-2.0 5,-2.8 1,-0.2 4,-1.8 0.937 109.1 50.8 -61.5 -46.1 12.6 9.1 -16.1 50 175 A L H <5S+ 0 0 0 -4,-1.9 6,-2.2 3,-0.2 -1,-0.2 0.898 120.4 34.5 -58.9 -41.4 12.8 6.5 -13.3 51 176 A A H <5S+ 0 0 10 -4,-2.2 4,-0.2 4,-0.2 -2,-0.2 0.946 129.7 28.3 -79.7 -51.4 11.4 3.7 -15.5 52 177 A Y H <5S+ 0 0 110 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.777 132.4 26.5 -89.3 -32.9 12.8 4.5 -19.0 53 178 A D T < S+ 0 0 18 34,-0.2 3,-1.1 1,-0.1 4,-0.2 -0.056 95.3 70.7 -85.4-164.5 1.3 9.9 11.2 67 192 A E T 3 S- 0 0 75 1,-0.3 -1,-0.1 36,-0.2 -3,-0.1 0.891 137.2 -49.7 54.7 45.1 3.5 13.0 10.4 68 193 A D T 3 S+ 0 0 111 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.624 116.4 118.2 70.7 19.9 0.7 14.6 8.4 69 194 A G S X S- 0 0 0 -3,-1.1 3,-2.3 -4,-0.1 4,-0.5 0.344 77.3 -25.0 -92.4-141.6 0.2 11.5 6.4 70 195 A Y G > S+ 0 0 9 -6,-2.7 3,-1.8 1,-0.3 7,-0.2 0.771 124.3 63.6 -45.7 -43.9 -2.8 9.1 5.9 71 196 A E G 3 S+ 0 0 81 -6,-2.2 -1,-0.3 1,-0.3 -5,-0.1 0.746 97.6 58.5 -58.7 -26.3 -4.5 9.8 9.2 72 197 A T G < S+ 0 0 83 -3,-2.3 -1,-0.3 -7,-0.4 -2,-0.2 0.691 130.7 2.3 -76.2 -21.5 -5.1 13.4 8.1 73 198 A N <> + 0 0 84 -3,-1.8 4,-2.7 -4,-0.5 5,-0.3 -0.328 65.0 176.2-163.7 70.9 -7.1 12.5 5.0 74 199 A P H > S+ 0 0 56 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.883 84.4 48.6 -50.1 -44.5 -7.6 8.7 4.5 75 200 A R H > S+ 0 0 115 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.937 113.7 44.6 -62.5 -48.6 -9.7 9.2 1.4 76 201 A G H > S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.910 115.6 47.1 -65.2 -42.3 -7.4 11.6 -0.4 77 202 A F H X S+ 0 0 26 -4,-2.7 4,-2.1 -7,-0.2 -1,-0.2 0.903 112.2 50.1 -66.8 -40.1 -4.3 9.5 0.4 78 203 A T H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.925 110.1 50.2 -64.0 -43.3 -5.9 6.3 -0.7 79 204 A D H X S+ 0 0 78 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.891 110.6 49.7 -64.2 -37.9 -7.0 7.8 -4.0 80 205 A R H X S+ 0 0 41 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.885 108.7 52.8 -67.2 -37.2 -3.5 9.1 -4.6 81 206 A M H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.927 108.1 50.5 -64.0 -43.1 -2.0 5.7 -3.9 82 207 A H H X S+ 0 0 5 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.925 111.6 49.2 -56.4 -46.4 -4.4 4.1 -6.4 83 208 A Q H X S+ 0 0 103 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.919 112.2 46.9 -61.0 -43.2 -3.3 6.7 -8.9 84 209 A L H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.861 109.6 53.5 -70.6 -35.0 0.4 6.0 -8.3 85 210 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.930 112.4 45.0 -62.5 -45.1 -0.1 2.3 -8.4 86 211 A D H X S+ 0 0 72 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.898 112.5 51.5 -64.4 -40.7 -1.7 2.7 -11.9 87 212 A M H < S+ 0 0 34 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.923 110.7 47.6 -64.0 -43.8 1.0 5.1 -13.0 88 213 A A H ><>S+ 0 0 3 -4,-2.5 5,-2.2 1,-0.2 3,-1.5 0.922 112.0 50.3 -62.6 -42.9 3.8 2.8 -12.0 89 214 A T H ><5S+ 0 0 45 -4,-2.1 3,-1.6 1,-0.3 -2,-0.2 0.887 105.3 56.6 -62.7 -39.1 2.1 -0.1 -13.7 90 215 A A T 3<5S+ 0 0 76 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.354 108.0 49.9 -75.5 2.7 1.7 2.0 -16.9 91 216 A R T < 5S- 0 0 30 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.198 120.6-107.0-120.5 10.4 5.5 2.4 -16.9 92 217 A G T < 5S+ 0 0 7 -3,-1.6 -88,-1.8 1,-0.2 2,-0.3 0.692 72.1 139.3 77.3 21.8 6.3 -1.3 -16.5 93 218 A L < - 0 0 2 -5,-2.2 -35,-0.3 -90,-0.2 -1,-0.2 -0.754 54.0-124.8-100.9 142.8 7.4 -1.1 -12.8 94 219 A Y E -e 58 0B 0 -37,-2.6 -35,-2.1 -2,-0.3 2,-0.4 -0.473 33.6-145.7 -67.3 152.8 6.8 -3.4 -9.9 95 220 A V E -ef 59 131B 0 35,-2.7 37,-2.9 -37,-0.2 2,-0.6 -0.996 13.9-158.3-131.3 130.8 5.2 -1.4 -7.0 96 221 A I E -ef 60 132B 0 -37,-2.5 -35,-3.1 -2,-0.4 2,-0.8 -0.954 14.4-147.8-102.8 123.5 5.6 -1.8 -3.3 97 222 A V E -ef 61 133B 0 35,-2.7 37,-3.0 -2,-0.6 2,-0.8 -0.835 20.1-157.8 -90.5 109.8 2.8 -0.3 -1.3 98 223 A D E -ef 62 134B 0 -37,-2.2 -35,-2.4 -2,-0.8 2,-1.3 -0.828 17.8-158.9-104.8 105.6 4.5 0.9 1.9 99 224 A W E -e 63 0B 0 35,-2.5 38,-2.3 -2,-0.8 2,-2.0 -0.708 27.1-152.6 -74.3 93.3 2.4 1.4 5.0 100 225 A H E +e 64 0B 4 -37,-2.3 -35,-0.7 -2,-1.3 -34,-0.2 -0.409 26.2 166.3 -91.0 67.5 5.0 3.7 6.4 101 226 A I + 0 0 0 -2,-2.0 37,-1.4 -37,-0.2 4,-0.1 -0.494 14.3 137.3 -74.7 147.4 4.7 3.5 10.1 102 227 A L + 0 0 35 2,-0.5 -1,-0.2 -2,-0.2 72,-0.1 0.274 57.0 52.9-153.8 -57.5 7.6 4.9 12.1 103 228 A T S S+ 0 0 88 1,-0.2 -36,-0.2 2,-0.1 2,-0.2 -0.944 107.7 39.7-139.6 114.6 6.4 6.9 15.2 104 229 A P S S- 0 0 41 0, 0.0 -2,-0.5 0, 0.0 -1,-0.2 0.441 89.7-161.3 -60.8 150.1 4.5 5.4 16.9 105 230 A G + 0 0 8 -2,-0.2 35,-1.8 -4,-0.1 37,-0.2 0.555 62.3 92.8 -88.2 -12.6 6.7 2.4 16.4 106 231 A D > - 0 0 66 33,-0.2 3,-1.8 1,-0.2 4,-0.4 -0.764 67.5-150.3 -82.7 115.8 4.2 -0.3 17.4 107 232 A P G > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.813 92.0 70.1 -58.2 -28.1 2.5 -1.4 14.2 108 233 A H G > S+ 0 0 88 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.795 81.9 73.2 -61.8 -25.8 -0.7 -2.3 16.2 109 234 A Y G < S+ 0 0 131 -3,-1.8 -1,-0.3 1,-0.3 4,-0.2 0.818 109.6 31.9 -51.6 -32.3 -1.2 1.5 16.7 110 235 A N G <> S+ 0 0 1 -3,-1.8 4,-2.4 -4,-0.4 -1,-0.3 0.153 87.5 110.8-113.8 17.8 -2.3 1.6 13.1 111 236 A L H <> S+ 0 0 9 -3,-1.6 4,-2.5 2,-0.2 5,-0.2 0.905 76.5 49.8 -62.7 -48.3 -3.8 -1.8 12.7 112 237 A D H > S+ 0 0 131 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.932 116.0 44.0 -59.6 -45.1 -7.5 -0.8 12.3 113 238 A R H > S+ 0 0 77 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.873 111.1 55.2 -62.1 -41.8 -6.5 1.8 9.6 114 239 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.900 106.1 50.5 -63.1 -40.7 -4.1 -0.7 7.9 115 240 A K H X S+ 0 0 74 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.915 113.0 46.7 -63.8 -42.5 -6.9 -3.3 7.5 116 241 A T H X S+ 0 0 82 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.941 117.0 42.7 -63.8 -47.4 -9.2 -0.6 6.0 117 242 A F H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.952 116.6 45.3 -66.2 -51.6 -6.5 0.6 3.6 118 243 A F H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.850 108.8 56.9 -67.0 -32.5 -5.1 -2.7 2.5 119 244 A A H X S+ 0 0 18 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.936 111.6 43.7 -60.1 -44.8 -8.6 -4.2 2.0 120 245 A E H X S+ 0 0 49 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.932 116.7 45.4 -66.2 -45.0 -9.3 -1.4 -0.4 121 246 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.945 113.8 48.4 -65.4 -48.1 -6.0 -1.6 -2.2 122 247 A A H X S+ 0 0 0 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.878 113.2 47.3 -62.7 -39.5 -6.0 -5.4 -2.4 123 248 A Q H >< S+ 0 0 131 -4,-1.9 3,-0.8 -5,-0.3 4,-0.2 0.958 115.2 45.2 -65.7 -48.4 -9.6 -5.5 -3.8 124 249 A R H 3< S+ 0 0 121 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.874 124.6 32.0 -62.1 -39.7 -8.9 -2.8 -6.4 125 250 A H H >< S+ 0 0 1 -4,-2.4 3,-1.6 -5,-0.2 -1,-0.2 0.224 79.3 115.7-110.1 14.6 -5.6 -4.2 -7.6 126 251 A A T << S+ 0 0 29 -3,-0.8 -1,-0.2 -4,-0.6 38,-0.2 0.799 75.5 56.8 -54.4 -34.3 -6.2 -8.0 -7.2 127 252 A S T 3 S+ 0 0 113 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.698 89.4 92.6 -74.9 -19.6 -5.9 -8.6 -10.9 128 253 A K < - 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