REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2yue_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSSGSSGPLQ FHSVHGDNIR ISRDGTLARR FESFCRAITF SARPVRINER DATA SEQUENCE ICVKFAEISN NWNGGIRFGF TSNDPVTLEG TLPKYACPDL TNRPGFWAKA DATA SEQUENCE LHEQYCEKDN ILYYYVNGAG DVIYGINNEE KGVILTGIDT RSLLWTVIDI DATA SEQUENCE YGNCTGIEFL DSRIYMYQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.947 3.960 -0.022 0.000 0.244 1 G C 0.000 174.896 174.900 -0.007 0.000 0.946 1 G CA 0.000 45.086 45.100 -0.024 0.000 0.502 2 S N -0.573 115.125 115.700 -0.004 0.000 3.769 2 S HA -0.168 4.304 4.470 0.003 0.000 0.656 2 S C -0.431 174.174 174.600 0.008 0.000 1.960 2 S CA 0.064 58.266 58.200 0.004 0.000 2.104 2 S CB 0.725 63.929 63.200 0.008 0.000 0.328 2 S HN 0.124 8.429 8.310 -0.008 0.000 1.640 3 S N -0.815 114.893 115.700 0.013 0.000 3.538 3 S HA -0.215 4.266 4.470 0.019 0.000 0.640 3 S C -0.907 173.702 174.600 0.014 0.000 2.388 3 S CA 1.295 59.505 58.200 0.018 0.000 2.560 3 S CB 0.068 63.283 63.200 0.026 0.000 0.328 3 S HN 0.364 8.682 8.310 0.013 0.000 1.791 4 G N -1.289 107.521 108.800 0.018 0.000 3.453 4 G HA2 0.119 4.086 3.960 0.012 0.000 0.165 4 G HA3 0.119 4.087 3.960 0.014 0.000 0.165 4 G C -1.689 173.222 174.900 0.019 0.000 1.220 4 G CA 0.032 45.141 45.100 0.015 0.000 1.305 4 G HN -0.131 8.172 8.290 0.022 0.000 0.695 5 S N 0.020 115.731 115.700 0.019 0.000 3.791 5 S HA -0.099 4.382 4.470 0.019 0.000 0.393 5 S C -0.952 173.660 174.600 0.021 0.000 0.936 5 S CA -0.138 58.074 58.200 0.021 0.000 1.234 5 S CB -0.278 62.938 63.200 0.025 0.000 0.891 5 S HN -0.045 8.275 8.310 0.017 0.000 0.519 6 S N -0.293 115.418 115.700 0.018 0.000 2.562 6 S HA -0.164 4.319 4.470 0.021 0.000 0.281 6 S C 0.727 175.339 174.600 0.020 0.000 1.333 6 S CA 1.154 59.366 58.200 0.020 0.000 1.052 6 S CB 0.641 63.852 63.200 0.019 0.000 0.884 6 S HN -0.103 8.216 8.310 0.017 0.000 0.506 7 G N 2.742 111.556 108.800 0.023 0.000 3.532 7 G HA2 -0.165 3.807 3.960 0.020 0.000 0.196 7 G HA3 -0.165 3.806 3.960 0.019 0.000 0.196 7 G C -2.522 172.393 174.900 0.025 0.000 2.074 7 G CA -0.197 44.915 45.100 0.021 0.000 1.323 7 G HN 0.198 8.503 8.290 0.026 0.000 0.439 8 P HA 0.057 4.621 4.420 0.033 -0.124 0.273 8 P C -1.114 176.207 177.300 0.035 0.000 1.250 8 P CA -0.760 62.360 63.100 0.033 0.000 0.793 8 P CB 0.922 32.644 31.700 0.037 0.000 1.011 9 L N 0.299 121.549 121.223 0.045 0.000 2.326 9 L HA 0.110 4.468 4.340 0.031 0.000 0.278 9 L C -1.113 175.745 176.870 -0.021 0.000 1.092 9 L CA 0.065 54.930 54.840 0.042 0.000 0.810 9 L CB 1.141 43.269 42.059 0.114 0.000 1.153 9 L HN -0.202 8.206 8.230 0.053 -0.146 0.439 10 Q N -0.792 118.931 119.800 -0.128 0.000 2.857 10 Q HA 0.250 4.392 4.340 -0.329 0.000 0.319 10 Q C -1.200 174.538 176.000 -0.435 0.000 0.963 10 Q CA -2.297 53.356 55.803 -0.250 0.000 0.770 10 Q CB 3.516 32.224 28.738 -0.050 0.000 1.492 10 Q HN -0.246 7.972 8.270 -0.087 0.000 0.493 11 F N -1.117 118.741 119.950 -0.153 0.000 2.382 11 F HA 0.126 4.505 4.527 -0.246 0.000 0.331 11 F C 0.421 176.222 175.800 0.002 0.000 1.121 11 F CA 0.480 58.406 58.000 -0.123 0.000 1.183 11 F CB 1.217 40.191 39.000 -0.042 0.000 1.207 11 F HN 0.288 8.579 8.300 -0.015 0.000 0.555 12 H N 2.688 121.877 119.070 0.199 0.000 2.488 12 H HA 0.183 4.786 4.556 0.078 0.000 0.347 12 H C 0.215 175.577 175.328 0.055 0.000 1.174 12 H CA -0.303 55.809 56.048 0.107 0.000 1.307 12 H CB 2.255 32.073 29.762 0.093 0.000 1.517 12 H HN -0.333 8.205 8.280 0.429 0.000 0.554 13 S N 2.110 117.755 115.700 -0.091 0.000 2.374 13 S HA -0.239 4.170 4.470 -0.103 0.000 0.227 13 S C 0.073 174.507 174.600 -0.277 0.000 1.037 13 S CA 2.348 60.477 58.200 -0.119 0.000 1.024 13 S CB 0.400 63.507 63.200 -0.155 0.000 0.861 13 S HN 0.275 8.208 8.310 -0.628 0.000 0.456 14 V N 0.857 120.767 119.914 -0.008 0.000 2.493 14 V HA -0.176 3.754 4.120 -0.318 0.000 0.292 14 V C -2.268 173.775 176.094 -0.086 0.000 1.016 14 V CA 0.849 63.039 62.300 -0.183 0.000 1.097 14 V CB -0.050 31.639 31.823 -0.222 0.000 0.947 14 V HN -0.866 7.593 8.190 0.455 0.005 0.479 15 H N 3.459 122.564 119.070 0.058 0.000 3.014 15 H HA 0.775 5.607 4.556 0.144 -0.190 0.337 15 H C -0.824 174.524 175.328 0.033 0.000 1.320 15 H CA -2.772 53.320 56.048 0.073 0.000 1.128 15 H CB 2.256 32.035 29.762 0.029 0.000 1.862 15 H HN -0.688 7.383 8.280 -0.348 0.000 0.536 16 G N -1.449 107.490 108.800 0.231 0.000 2.720 16 G HA2 -0.257 3.761 3.960 0.097 0.000 0.237 16 G HA3 -0.257 3.743 3.960 0.066 0.000 0.237 16 G C -0.686 174.258 174.900 0.074 0.000 1.239 16 G CA -0.291 44.876 45.100 0.111 0.000 0.847 16 G HN -0.046 8.377 8.290 0.222 0.000 0.593 17 D N -0.098 120.310 120.400 0.013 0.000 2.116 17 D HA -0.303 4.342 4.640 0.009 0.000 0.193 17 D C 1.076 177.339 176.300 -0.062 0.000 0.998 17 D CA 3.253 57.242 54.000 -0.019 0.000 0.836 17 D CB 0.333 41.105 40.800 -0.047 0.000 0.951 17 D HN 0.440 8.807 8.370 -0.004 0.000 0.449 18 N N -0.004 118.659 118.700 -0.062 0.000 3.271 18 N HA 0.162 4.883 4.740 -0.032 0.000 0.303 18 N C -1.639 173.839 175.510 -0.054 0.000 1.415 18 N CA -0.636 52.391 53.050 -0.039 0.000 1.159 18 N CB -0.156 38.316 38.487 -0.024 0.000 1.432 18 N HN -0.543 7.802 8.380 -0.059 0.000 0.521 19 I N 0.557 121.009 120.570 -0.196 0.000 2.497 19 I HA 0.140 4.240 4.170 -0.117 0.000 0.284 19 I C -1.462 174.357 176.117 -0.496 0.000 1.060 19 I CA -1.657 59.485 61.300 -0.263 0.000 1.071 19 I CB 1.159 39.027 38.000 -0.220 0.000 1.216 19 I HN -0.712 7.274 8.210 -0.280 0.056 0.442 20 R N 7.638 127.983 120.500 -0.259 0.000 2.233 20 R HA 0.312 4.403 4.340 -0.416 0.000 0.334 20 R C -1.773 174.433 176.300 -0.157 0.000 1.037 20 R CA -1.857 54.093 56.100 -0.250 0.000 0.920 20 R CB 0.383 30.660 30.300 -0.039 0.000 1.137 20 R HN 0.678 8.893 8.270 -0.092 0.000 0.492 21 I N 6.142 126.616 120.570 -0.161 0.000 2.310 21 I HA 0.214 4.419 4.170 -0.130 -0.112 0.287 21 I C -0.770 175.357 176.117 0.017 0.000 1.073 21 I CA -0.403 60.849 61.300 -0.081 0.000 1.216 21 I CB -0.319 37.655 38.000 -0.042 0.000 1.415 21 I HN 0.220 8.303 8.210 -0.212 0.000 0.480 22 S N 6.057 121.780 115.700 0.038 0.000 2.582 22 S HA 0.243 4.761 4.470 0.080 0.000 0.287 22 S C -1.957 172.691 174.600 0.081 0.000 1.146 22 S CA -0.222 58.017 58.200 0.064 0.000 0.941 22 S CB 2.326 65.551 63.200 0.043 0.000 1.115 22 S HN -0.163 8.163 8.310 0.027 0.000 0.458 23 R N 3.473 124.029 120.500 0.093 0.000 2.747 23 R HA 0.066 4.456 4.340 0.084 0.000 0.272 23 R C -0.355 175.995 176.300 0.083 0.000 1.032 23 R CA -0.622 55.535 56.100 0.095 0.000 0.896 23 R CB 1.772 32.145 30.300 0.122 0.000 1.253 23 R HN 0.110 8.436 8.270 0.095 0.000 0.461 24 D N -0.507 119.938 120.400 0.076 0.000 2.221 24 D HA -0.110 4.564 4.640 0.056 0.000 0.204 24 D C 0.031 176.371 176.300 0.067 0.000 0.982 24 D CA 1.868 55.907 54.000 0.064 0.000 0.857 24 D CB 0.448 41.283 40.800 0.058 0.000 0.934 24 D HN 0.340 8.757 8.370 0.078 0.000 0.475 25 G N -3.864 104.986 108.800 0.083 0.000 2.714 25 G HA2 0.098 4.099 3.960 0.069 0.000 0.204 25 G HA3 0.098 4.107 3.960 0.082 0.000 0.204 25 G C -0.851 174.112 174.900 0.105 0.000 1.197 25 G CA -0.141 45.009 45.100 0.083 0.000 0.642 25 G HN -0.492 7.817 8.290 0.095 0.037 0.849 26 T N 0.226 114.865 114.554 0.142 0.000 4.349 26 T HA 0.060 4.535 4.350 0.208 0.000 0.404 26 T C -2.165 172.716 174.700 0.301 0.000 0.993 26 T CA 0.627 62.847 62.100 0.201 0.000 1.025 26 T CB 0.500 69.457 68.868 0.147 0.000 1.219 26 T HN -0.302 8.023 8.240 0.141 0.000 0.451 27 L N 5.559 127.009 121.223 0.378 0.000 2.653 27 L HA 0.204 5.038 4.340 0.658 -0.099 0.257 27 L C -3.202 173.774 176.870 0.177 0.000 0.969 27 L CA -0.182 54.904 54.840 0.411 0.000 0.869 27 L CB 4.229 46.433 42.059 0.241 0.000 1.439 27 L HN -0.274 8.153 8.230 0.327 0.000 0.414 28 A N 1.166 123.936 122.820 -0.082 0.000 2.311 28 A HA 0.548 4.652 4.320 -0.361 0.000 0.306 28 A C -2.300 175.196 177.584 -0.148 0.000 1.189 28 A CA -1.298 50.451 52.037 -0.480 0.000 0.791 28 A CB 2.221 20.325 19.000 -1.494 0.000 1.172 28 A HN 0.895 9.045 8.150 0.183 0.111 0.481 29 R N 3.246 123.705 120.500 -0.069 0.000 2.803 29 R HA 0.663 5.165 4.340 0.048 -0.134 0.276 29 R C -1.533 174.787 176.300 0.034 0.000 0.978 29 R CA -2.717 53.398 56.100 0.025 0.000 0.939 29 R CB 4.123 34.464 30.300 0.069 0.000 1.179 29 R HN 0.597 8.814 8.270 -0.088 0.000 0.472 30 R N 0.754 121.299 120.500 0.076 0.000 2.441 30 R HA 0.048 4.424 4.340 0.059 0.000 0.284 30 R C -1.397 174.994 176.300 0.152 0.000 1.070 30 R CA 0.112 56.267 56.100 0.092 0.000 1.047 30 R CB 0.585 30.946 30.300 0.102 0.000 1.016 30 R HN 0.016 8.340 8.270 0.090 0.000 0.477 31 F N 4.752 124.668 119.950 -0.057 0.000 2.188 31 F HA -0.047 4.456 4.527 -0.039 0.000 0.289 31 F C -0.331 175.442 175.800 -0.045 0.000 1.082 31 F CA 0.893 58.860 58.000 -0.055 0.000 1.282 31 F CB 1.359 40.308 39.000 -0.085 0.000 1.060 31 F HN 0.093 8.513 8.300 0.200 0.000 0.493 32 E N -4.279 115.953 120.200 0.054 0.000 2.357 32 E HA -0.016 4.290 4.350 -0.072 0.000 0.264 32 E C -1.662 174.846 176.600 -0.154 0.000 1.164 32 E CA -0.924 55.431 56.400 -0.075 0.000 0.893 32 E CB 1.386 31.016 29.700 -0.116 0.000 1.619 32 E HN -0.790 7.641 8.360 0.120 0.000 0.464 33 S N -2.067 113.424 115.700 -0.348 0.000 3.585 33 S HA -0.202 3.681 4.470 -0.977 0.000 0.638 33 S C -1.215 172.988 174.600 -0.662 0.000 2.340 33 S CA 1.023 58.840 58.200 -0.639 0.000 2.517 33 S CB 0.133 63.109 63.200 -0.374 0.000 0.329 33 S HN 0.244 8.352 8.310 -0.336 0.000 1.795 34 F N -2.465 117.314 119.950 -0.285 0.000 2.423 34 F HA 0.220 4.512 4.527 -0.393 0.000 0.269 34 F C 0.339 175.805 175.800 -0.557 0.000 0.880 34 F CA 0.313 58.084 58.000 -0.382 0.000 1.134 34 F CB 1.071 39.852 39.000 -0.366 0.000 1.143 34 F HN 0.080 8.024 8.300 -0.593 0.000 0.802 35 C N -0.821 118.226 119.300 -0.422 0.000 2.713 35 C HA 0.040 3.727 4.460 -1.288 0.000 0.330 35 C C -0.221 174.543 174.990 -0.376 0.000 1.416 35 C CA 0.287 58.919 59.018 -0.643 0.000 2.351 35 C CB 0.992 28.510 27.740 -0.369 0.000 2.388 35 C HN -0.256 7.849 8.230 -0.208 0.000 0.729 36 R N -3.798 116.532 120.500 -0.283 0.000 2.331 36 R HA -0.432 3.933 4.340 -0.101 -0.086 0.335 36 R C -1.662 174.585 176.300 -0.088 0.000 1.089 36 R CA 0.921 56.935 56.100 -0.143 0.000 0.921 36 R CB -2.269 27.957 30.300 -0.124 0.000 2.657 36 R HN -0.092 7.995 8.270 -0.306 0.000 0.496 37 A N 0.449 123.258 122.820 -0.018 0.000 3.426 37 A HA 0.246 4.588 4.320 0.036 0.000 0.222 37 A C -2.330 175.325 177.584 0.119 0.000 1.090 37 A CA 0.123 52.188 52.037 0.047 0.000 1.026 37 A CB 1.021 20.056 19.000 0.059 0.000 1.342 37 A HN 0.295 8.445 8.150 -0.001 0.000 0.695 38 I N 0.117 120.776 120.570 0.148 0.000 2.498 38 I HA 0.233 4.514 4.170 0.186 0.000 0.301 38 I C -0.953 175.333 176.117 0.282 0.000 0.984 38 I CA -0.716 60.712 61.300 0.213 0.000 1.204 38 I CB 2.366 40.526 38.000 0.266 0.000 1.362 38 I HN -0.233 8.054 8.210 0.128 0.000 0.471 39 T N 0.175 114.900 114.554 0.284 0.000 2.900 39 T HA 0.514 5.136 4.350 0.454 0.000 0.303 39 T C -1.569 173.336 174.700 0.343 0.000 1.142 39 T CA -1.889 60.436 62.100 0.374 0.000 1.007 39 T CB 3.061 72.105 68.868 0.294 0.000 1.156 39 T HN 0.485 8.837 8.240 0.187 0.000 0.490 40 F N 0.010 120.079 119.950 0.199 0.000 2.740 40 F HA 0.651 5.410 4.527 0.190 -0.117 0.357 40 F C -0.464 175.431 175.800 0.158 0.000 1.141 40 F CA -2.006 56.091 58.000 0.160 0.000 1.044 40 F CB 4.391 43.413 39.000 0.036 0.000 1.430 40 F HN -0.228 8.430 8.300 0.595 0.000 0.518 41 S N 0.896 116.819 115.700 0.372 0.000 2.562 41 S HA 0.129 4.596 4.470 -0.006 0.000 0.275 41 S C 0.019 174.846 174.600 0.378 0.000 1.281 41 S CA -1.068 57.282 58.200 0.251 0.000 1.045 41 S CB 1.925 65.320 63.200 0.326 0.000 0.962 41 S HN -0.186 8.408 8.310 0.475 0.000 0.503 42 A N 3.906 126.870 122.820 0.241 0.000 1.930 42 A HA -0.049 4.519 4.320 0.413 0.000 0.217 42 A C -0.215 177.598 177.584 0.382 0.000 1.175 42 A CA 1.980 54.190 52.037 0.288 0.000 0.627 42 A CB 0.762 19.799 19.000 0.061 0.000 0.815 42 A HN 0.359 8.529 8.150 0.032 0.000 0.443 43 R N -4.737 115.948 120.500 0.309 0.000 2.795 43 R HA 0.412 4.997 4.340 0.407 0.000 0.275 43 R C -2.953 173.491 176.300 0.239 0.000 0.981 43 R CA -4.079 52.201 56.100 0.300 0.000 0.917 43 R CB 0.751 31.142 30.300 0.152 0.000 1.202 43 R HN -0.505 7.900 8.270 0.226 0.000 0.469 44 P HA 0.104 4.169 4.420 -0.819 -0.137 0.270 44 P C -0.758 176.422 177.300 -0.200 0.000 1.242 44 P CA -0.285 62.544 63.100 -0.451 0.000 0.768 44 P CB 0.323 31.609 31.700 -0.690 0.000 0.820 45 V N -1.330 118.518 119.914 -0.110 0.000 2.785 45 V HA 0.221 4.531 4.120 -0.017 -0.201 0.300 45 V C -0.657 175.396 176.094 -0.069 0.000 1.062 45 V CA -2.218 60.072 62.300 -0.016 0.000 1.029 45 V CB 1.679 33.568 31.823 0.110 0.000 1.024 45 V HN -0.383 7.752 8.190 -0.092 0.000 0.477 46 R N 3.044 123.511 120.500 -0.055 0.000 2.583 46 R HA 0.009 4.278 4.340 -0.119 0.000 0.268 46 R C 0.735 176.991 176.300 -0.072 0.000 1.101 46 R CA 0.209 56.261 56.100 -0.080 0.000 1.180 46 R CB 0.998 31.261 30.300 -0.061 0.000 1.128 46 R HN -0.280 8.251 8.270 -0.031 -0.280 0.568 47 I N 1.250 121.760 120.570 -0.100 0.000 2.052 47 I HA -0.372 3.687 4.170 -0.186 0.000 0.235 47 I C 1.200 177.327 176.117 0.016 0.000 1.046 47 I CA 2.763 64.004 61.300 -0.099 0.000 1.308 47 I CB -0.539 37.401 38.000 -0.100 0.000 1.031 47 I HN 0.267 8.414 8.210 -0.105 0.000 0.395 48 N N -2.205 116.506 118.700 0.018 0.000 2.443 48 N HA -0.239 4.684 4.740 0.138 -0.100 0.184 48 N C 0.118 175.624 175.510 -0.007 0.000 1.037 48 N CA 1.096 54.166 53.050 0.033 0.000 0.896 48 N CB 0.120 38.588 38.487 -0.032 0.000 0.959 48 N HN -0.255 8.114 8.380 -0.018 0.000 0.442 49 E N -0.017 120.183 120.200 0.000 0.000 2.603 49 E HA -0.325 4.000 4.350 -0.041 0.000 0.242 49 E C -0.801 175.813 176.600 0.024 0.000 1.083 49 E CA 0.668 57.064 56.400 -0.006 0.000 0.950 49 E CB -0.155 29.547 29.700 0.005 0.000 0.952 49 E HN -0.196 8.005 8.360 -0.006 0.156 0.498 50 R N 4.347 124.815 120.500 -0.052 0.000 2.390 50 R HA -0.030 4.353 4.340 0.072 0.000 0.291 50 R C -0.673 175.576 176.300 -0.086 0.000 1.070 50 R CA 0.515 56.583 56.100 -0.053 0.000 1.014 50 R CB 0.979 31.171 30.300 -0.179 0.000 1.007 50 R HN -0.113 8.099 8.270 -0.098 0.000 0.466 51 I N 3.964 124.439 120.570 -0.158 0.000 2.530 51 I HA 0.130 4.183 4.170 -0.194 0.000 0.297 51 I C -1.895 173.983 176.117 -0.398 0.000 1.011 51 I CA -0.403 60.718 61.300 -0.298 0.000 1.107 51 I CB 3.918 41.667 38.000 -0.418 0.000 1.285 51 I HN -0.260 7.869 8.210 -0.134 0.000 0.436 52 C N 4.674 123.715 119.300 -0.432 0.000 2.634 52 C HA 0.436 4.804 4.460 -0.358 -0.123 0.313 52 C C -1.529 173.065 174.990 -0.660 0.000 1.198 52 C CA -1.815 56.929 59.018 -0.457 0.000 1.605 52 C CB 3.357 30.824 27.740 -0.456 0.000 2.196 52 C HN 0.587 8.588 8.230 -0.381 0.000 0.486 53 V N 2.583 122.130 119.914 -0.612 0.000 2.532 53 V HA 0.201 4.122 4.120 -0.582 -0.150 0.294 53 V C -1.872 173.920 176.094 -0.504 0.000 1.036 53 V CA -0.632 61.289 62.300 -0.631 0.000 0.876 53 V CB 2.918 34.287 31.823 -0.756 0.000 1.012 53 V HN 0.877 8.659 8.190 -0.493 0.112 0.432 54 K N 7.240 127.466 120.400 -0.289 0.000 2.258 54 K HA 0.318 4.636 4.320 -0.291 -0.172 0.284 54 K C -0.777 175.777 176.600 -0.077 0.000 1.051 54 K CA -1.370 54.799 56.287 -0.196 0.000 0.923 54 K CB 1.815 34.290 32.500 -0.041 0.000 1.046 54 K HN 0.741 8.876 8.250 -0.193 0.000 0.474 55 F N 6.924 126.910 119.950 0.060 0.000 2.556 55 F HA 0.140 4.730 4.527 0.105 0.000 0.344 55 F C 0.314 176.168 175.800 0.090 0.000 1.255 55 F CA -0.374 57.676 58.000 0.083 0.000 1.091 55 F CB -2.049 36.992 39.000 0.069 0.000 1.325 55 F HN 0.474 8.676 8.300 -0.162 0.000 0.627 56 A N 5.193 128.184 122.820 0.285 0.000 1.841 56 A HA -0.184 4.240 4.320 0.173 0.000 0.214 56 A C 0.181 177.870 177.584 0.175 0.000 1.195 56 A CA 1.761 53.918 52.037 0.201 0.000 0.611 56 A CB 0.251 19.362 19.000 0.185 0.000 0.835 56 A HN -0.095 8.237 8.150 0.304 0.000 0.443 57 E N -2.916 117.391 120.200 0.178 0.000 2.212 57 E HA 0.255 4.670 4.350 0.109 0.000 0.268 57 E C -1.454 175.211 176.600 0.108 0.000 0.902 57 E CA -1.471 55.006 56.400 0.129 0.000 0.779 57 E CB 2.105 31.876 29.700 0.118 0.000 1.172 57 E HN -0.497 7.858 8.360 0.210 0.131 0.409 58 I N 0.627 121.234 120.570 0.061 0.000 2.647 58 I HA 0.221 4.450 4.170 -0.005 -0.062 0.295 58 I C -1.312 174.814 176.117 0.015 0.000 1.078 58 I CA -1.731 59.573 61.300 0.006 0.000 1.048 58 I CB 3.714 41.685 38.000 -0.049 0.000 1.239 58 I HN 0.164 8.409 8.210 0.060 0.000 0.421 59 S N 4.736 120.452 115.700 0.026 0.000 2.429 59 S HA 0.104 4.564 4.470 -0.015 0.000 0.302 59 S C -0.610 173.937 174.600 -0.090 0.000 1.115 59 S CA -0.978 57.232 58.200 0.016 0.000 1.095 59 S CB 1.123 64.466 63.200 0.238 0.000 0.987 59 S HN 0.221 8.635 8.310 0.023 -0.090 0.474 60 N N 6.390 124.983 118.700 -0.177 0.000 3.012 60 N HA 0.212 4.859 4.740 -0.154 0.000 0.270 60 N C -1.423 173.912 175.510 -0.293 0.000 1.469 60 N CA 0.104 53.041 53.050 -0.188 0.000 0.928 60 N CB -0.294 38.114 38.487 -0.132 0.000 1.219 60 N HN 0.543 8.810 8.380 -0.187 0.000 0.492 61 N N -0.392 118.068 118.700 -0.400 0.000 2.403 61 N HA -0.030 4.513 4.740 -0.328 0.000 0.321 61 N C -0.419 174.848 175.510 -0.405 0.000 0.721 61 N CA 0.544 53.294 53.050 -0.500 0.000 0.574 61 N CB 0.650 38.660 38.487 -0.794 0.000 2.381 61 N HN -0.057 8.118 8.380 -0.341 0.000 1.152 62 W N 0.236 121.467 121.300 -0.115 0.000 1.741 62 W HA -0.006 4.536 4.660 -0.196 0.000 0.363 62 W C -0.610 175.808 176.519 -0.169 0.000 1.564 62 W CA -0.758 56.488 57.345 -0.165 0.000 1.688 62 W CB 0.503 29.866 29.460 -0.163 0.000 1.382 62 W HN -0.103 7.644 8.180 -0.721 0.000 0.725 63 N N 0.166 118.916 118.700 0.084 0.000 2.272 63 N HA 0.062 4.776 4.740 -0.043 0.000 0.305 63 N C -0.218 175.201 175.510 -0.151 0.000 1.103 63 N CA -0.766 52.258 53.050 -0.044 0.000 0.791 63 N CB 1.287 39.750 38.487 -0.040 0.000 1.356 63 N HN -0.046 8.396 8.380 0.104 0.000 0.486 64 G N 0.512 109.231 108.800 -0.136 0.000 2.428 64 G HA2 -0.224 3.660 3.960 -0.127 0.000 0.202 64 G HA3 -0.224 3.575 3.960 -0.268 0.000 0.202 64 G C -2.072 172.741 174.900 -0.145 0.000 1.247 64 G CA -0.496 44.500 45.100 -0.172 0.000 1.020 64 G HN 0.095 8.326 8.290 -0.099 0.000 0.529 65 G N -2.003 106.712 108.800 -0.141 0.000 2.682 65 G HA2 0.512 4.423 3.960 -0.082 0.000 0.303 65 G HA3 0.512 4.440 3.960 -0.054 0.000 0.303 65 G C -1.786 173.096 174.900 -0.030 0.000 1.341 65 G CA -0.168 44.886 45.100 -0.078 0.000 0.784 65 G HN -0.008 8.182 8.290 -0.167 0.000 0.497 66 I N -5.324 115.266 120.570 0.034 0.000 3.204 66 I HA 0.688 4.995 4.170 0.113 -0.069 0.313 66 I C -1.812 174.388 176.117 0.138 0.000 1.082 66 I CA -1.374 59.992 61.300 0.111 0.000 1.033 66 I CB 2.781 40.875 38.000 0.157 0.000 1.304 66 I HN 0.299 8.526 8.210 0.028 0.000 0.536 67 R N -1.845 118.758 120.500 0.172 0.000 2.698 67 R HA 0.923 5.456 4.340 0.016 -0.184 0.275 67 R C -1.751 174.650 176.300 0.168 0.000 1.001 67 R CA -1.658 54.495 56.100 0.089 0.000 0.896 67 R CB 3.484 33.791 30.300 0.013 0.000 1.218 67 R HN -0.272 8.115 8.270 0.196 0.000 0.462 68 F N -1.681 118.198 119.950 -0.118 0.000 2.596 68 F HA 1.081 5.747 4.527 -0.135 -0.220 0.311 68 F C -1.568 174.071 175.800 -0.269 0.000 1.116 68 F CA -2.281 55.587 58.000 -0.221 0.000 0.957 68 F CB 3.514 42.273 39.000 -0.401 0.000 1.250 68 F HN 0.903 8.726 8.300 -0.612 0.110 0.444 69 G N 0.392 109.086 108.800 -0.178 0.000 2.578 69 G HA2 0.186 4.038 3.960 -0.180 0.000 0.302 69 G HA3 0.186 4.236 3.960 -0.023 -0.104 0.302 69 G C -3.268 171.524 174.900 -0.180 0.000 1.243 69 G CA 0.251 45.266 45.100 -0.141 0.000 0.843 69 G HN 0.407 8.638 8.290 -0.097 0.000 0.486 70 F N -2.712 117.404 119.950 0.277 0.000 2.654 70 F HA 1.042 5.856 4.527 0.270 -0.124 0.334 70 F C -1.092 174.954 175.800 0.410 0.000 1.078 70 F CA -1.276 56.924 58.000 0.334 0.000 0.986 70 F CB 5.343 44.492 39.000 0.248 0.000 1.362 70 F HN -0.746 7.861 8.300 0.512 0.000 0.498 71 T N -1.229 113.659 114.554 0.558 0.000 2.787 71 T HA 0.540 4.845 4.350 -0.276 -0.120 0.297 71 T C -1.085 173.738 174.700 0.205 0.000 1.221 71 T CA -1.883 60.226 62.100 0.014 0.000 1.006 71 T CB 1.717 70.375 68.868 -0.350 0.000 1.328 71 T HN 0.437 9.092 8.240 0.691 0.000 0.509 72 S N 1.350 116.974 115.700 -0.127 0.000 2.620 72 S HA 0.190 4.862 4.470 0.337 0.000 0.234 72 S C 0.321 175.055 174.600 0.225 0.000 1.064 72 S CA 0.233 58.530 58.200 0.162 0.000 0.920 72 S CB 1.279 64.533 63.200 0.090 0.000 0.826 72 S HN 0.230 8.114 8.310 -0.710 0.000 0.557 73 N N 1.051 119.756 118.700 0.009 0.000 2.340 73 N HA -0.089 4.671 4.740 0.033 0.000 0.236 73 N C -0.928 174.397 175.510 -0.309 0.000 1.296 73 N CA 1.324 54.364 53.050 -0.016 0.000 0.896 73 N CB 0.748 39.291 38.487 0.093 0.000 1.127 73 N HN -0.394 7.893 8.380 -0.155 0.000 0.442 74 D N -0.607 119.464 120.400 -0.548 0.000 2.341 74 D HA 0.224 3.542 4.640 -2.204 0.000 0.245 74 D C -0.026 175.762 176.300 -0.854 0.000 1.106 74 D CA -1.092 52.237 54.000 -1.118 0.000 0.905 74 D CB 1.728 42.073 40.800 -0.759 0.000 1.202 74 D HN 0.265 8.444 8.370 -0.320 0.000 0.426 75 P HA -0.072 3.697 4.420 -1.084 0.000 0.226 75 P C 0.284 177.080 177.300 -0.841 0.000 1.153 75 P CA 1.830 64.307 63.100 -1.038 0.000 0.777 75 P CB 0.059 31.041 31.700 -1.197 0.000 0.794 76 V N -5.588 113.960 119.914 -0.609 0.000 2.719 76 V HA -0.108 3.935 4.120 -0.129 0.000 0.252 76 V C 0.865 176.820 176.094 -0.232 0.000 1.065 76 V CA 2.185 64.333 62.300 -0.254 0.000 1.086 76 V CB -0.626 31.140 31.823 -0.095 0.000 0.700 76 V HN -0.400 7.353 8.190 -0.656 0.044 0.467 77 T N -3.770 110.615 114.554 -0.282 0.000 3.129 77 T HA -0.070 4.189 4.350 -0.152 0.000 0.251 77 T C 0.156 174.730 174.700 -0.210 0.000 1.117 77 T CA 0.700 62.679 62.100 -0.201 0.000 1.034 77 T CB 0.625 69.392 68.868 -0.168 0.000 0.968 77 T HN -0.510 7.370 8.240 -0.372 0.137 0.526 78 L N -1.067 119.977 121.223 -0.298 0.000 2.749 78 L HA 0.427 4.642 4.340 -0.209 0.000 0.242 78 L C -0.239 176.484 176.870 -0.245 0.000 1.103 78 L CA -0.676 53.987 54.840 -0.295 0.000 0.906 78 L CB 1.195 42.961 42.059 -0.488 0.000 1.228 78 L HN -0.834 6.977 8.230 -0.367 0.199 0.517 79 E N 0.850 120.908 120.200 -0.238 0.000 2.529 79 E HA -0.383 3.850 4.350 -0.196 0.000 0.259 79 E C 0.411 176.932 176.600 -0.132 0.000 0.966 79 E CA 1.946 58.238 56.400 -0.179 0.000 0.937 79 E CB 0.442 30.058 29.700 -0.140 0.000 0.923 79 E HN -0.833 7.368 8.360 -0.264 0.000 0.468 80 G N 3.838 112.571 108.800 -0.112 0.000 2.187 80 G HA2 -0.300 3.624 3.960 -0.060 0.000 0.261 80 G HA3 -0.300 3.615 3.960 -0.074 0.000 0.261 80 G C -0.311 174.544 174.900 -0.075 0.000 1.000 80 G CA 0.817 45.870 45.100 -0.078 0.000 0.718 80 G HN 0.632 8.848 8.290 -0.123 0.000 0.519 81 T N -3.794 110.707 114.554 -0.089 0.000 4.076 81 T HA 0.048 4.354 4.350 -0.074 0.000 0.222 81 T C -1.227 173.420 174.700 -0.087 0.000 1.008 81 T CA -0.406 61.643 62.100 -0.085 0.000 1.486 81 T CB 1.140 69.954 68.868 -0.090 0.000 0.828 81 T HN -0.149 7.899 8.240 -0.104 0.129 0.625 82 L N 2.177 123.359 121.223 -0.067 0.000 2.333 82 L HA 0.507 4.818 4.340 -0.048 0.000 0.269 82 L C -1.534 175.301 176.870 -0.058 0.000 1.010 82 L CA -3.168 51.646 54.840 -0.043 0.000 0.818 82 L CB 1.964 44.027 42.059 0.006 0.000 1.306 82 L HN -0.380 7.814 8.230 -0.060 0.000 0.430 83 P HA 0.115 4.444 4.420 -0.151 0.000 0.288 83 P C -0.059 177.131 177.300 -0.183 0.000 1.291 83 P CA -0.942 62.080 63.100 -0.130 0.000 0.766 83 P CB 0.933 32.574 31.700 -0.098 0.000 1.242 84 K N -4.059 116.110 120.400 -0.384 0.000 2.137 84 K HA -0.068 4.104 4.320 -0.247 0.000 0.202 84 K C -0.302 176.131 176.600 -0.280 0.000 1.052 84 K CA 1.545 57.595 56.287 -0.394 0.000 0.961 84 K CB 0.463 32.642 32.500 -0.536 0.000 0.741 84 K HN 0.546 8.470 8.250 -0.543 0.000 0.452 85 Y N -6.959 113.332 120.300 -0.014 0.000 2.773 85 Y HA 0.246 4.801 4.550 0.008 0.000 0.323 85 Y C -0.471 175.451 175.900 0.037 0.000 1.183 85 Y CA -3.199 54.910 58.100 0.015 0.000 1.144 85 Y CB 0.264 38.745 38.460 0.034 0.000 1.340 85 Y HN -0.803 7.016 8.280 -0.767 0.000 0.531 86 A N -1.370 121.647 122.820 0.329 0.000 2.345 86 A HA 0.301 4.747 4.320 0.210 0.000 0.225 86 A C -1.411 176.242 177.584 0.115 0.000 1.243 86 A CA 0.008 52.165 52.037 0.201 0.000 0.875 86 A CB -0.980 18.108 19.000 0.146 0.000 0.929 86 A HN 0.522 8.860 8.150 0.314 0.000 0.502 87 C N -7.660 111.667 119.300 0.045 0.000 3.068 87 C HA 0.381 4.934 4.460 -0.073 -0.136 0.344 87 C C -2.139 172.480 174.990 -0.619 0.000 1.223 87 C CA -2.067 56.855 59.018 -0.160 0.000 1.153 87 C CB 0.619 28.288 27.740 -0.119 0.000 1.396 87 C HN -0.709 7.528 8.230 0.143 0.079 0.485 88 P HA -0.051 4.282 4.420 -0.145 0.000 0.234 88 P C -0.347 176.905 177.300 -0.080 0.000 1.167 88 P CA 0.971 63.965 63.100 -0.176 0.000 0.763 88 P CB 0.492 32.109 31.700 -0.138 0.000 0.835 89 D N -0.104 120.307 120.400 0.018 0.000 2.182 89 D HA -0.263 4.386 4.640 0.016 0.000 0.193 89 D C 1.244 177.500 176.300 -0.074 0.000 0.999 89 D CA 3.397 57.435 54.000 0.063 0.000 0.850 89 D CB -0.288 40.660 40.800 0.247 0.000 0.994 89 D HN 0.344 8.648 8.370 0.015 0.075 0.450 90 L N -2.590 118.624 121.223 -0.016 0.000 2.416 90 L HA -0.168 3.976 4.340 -0.328 0.000 0.243 90 L C -1.031 175.845 176.870 0.009 0.000 1.373 90 L CA 0.701 55.504 54.840 -0.061 0.000 1.227 90 L CB -2.376 39.759 42.059 0.125 0.000 1.428 90 L HN 0.253 8.480 8.230 0.101 0.064 0.425 91 T N -1.479 113.034 114.554 -0.069 0.000 3.978 91 T HA -0.043 4.343 4.350 0.061 0.000 0.312 91 T C 0.354 175.013 174.700 -0.068 0.000 0.873 91 T CA 1.384 63.476 62.100 -0.013 0.000 1.238 91 T CB 0.274 69.131 68.868 -0.018 0.000 0.981 91 T HN 0.188 8.265 8.240 -0.184 0.053 0.468 92 N N 3.039 121.687 118.700 -0.086 0.000 2.289 92 N HA -0.299 4.403 4.740 -0.064 0.000 0.184 92 N C 0.723 176.174 175.510 -0.098 0.000 1.016 92 N CA 2.246 55.248 53.050 -0.080 0.000 0.872 92 N CB 0.149 38.596 38.487 -0.068 0.000 0.973 92 N HN -0.159 8.169 8.380 -0.087 0.000 0.433 93 R N 0.253 120.657 120.500 -0.159 0.000 2.756 93 R HA -0.056 4.207 4.340 -0.128 0.000 0.264 93 R C -1.692 174.578 176.300 -0.051 0.000 1.026 93 R CA -0.942 55.056 56.100 -0.170 0.000 1.121 93 R CB -0.338 29.695 30.300 -0.445 0.000 0.999 93 R HN -0.837 7.283 8.270 -0.205 0.027 0.449 94 P HA -0.096 4.303 4.420 -0.036 0.000 0.269 94 P C -0.347 176.985 177.300 0.053 0.000 1.252 94 P CA 0.147 63.253 63.100 0.010 0.000 0.780 94 P CB -0.318 31.397 31.700 0.025 0.000 0.829 95 G N 1.802 110.496 108.800 -0.176 0.000 2.270 95 G HA2 -0.307 3.221 3.960 -0.719 0.000 0.224 95 G HA3 -0.307 3.559 3.960 -0.156 0.000 0.224 95 G C -2.336 172.124 174.900 -0.735 0.000 1.079 95 G CA -0.138 44.695 45.100 -0.444 0.000 0.807 95 G HN 0.020 8.148 8.290 -0.270 0.000 0.492 96 F N -1.401 117.917 119.950 -1.052 0.000 2.573 96 F HA 0.363 4.793 4.527 -0.343 -0.109 0.316 96 F C -1.169 174.205 175.800 -0.710 0.000 1.148 96 F CA -0.519 57.111 58.000 -0.617 0.000 0.940 96 F CB 3.506 42.362 39.000 -0.239 0.000 1.214 96 F HN -0.845 6.911 8.300 -0.906 0.000 0.448 97 W N 2.285 123.700 121.300 0.191 0.000 2.819 97 W HA 0.323 5.042 4.660 0.099 0.000 0.337 97 W C -2.455 174.088 176.519 0.040 0.000 1.077 97 W CA -1.295 56.117 57.345 0.111 0.000 1.226 97 W CB 4.095 33.623 29.460 0.113 0.000 1.419 97 W HN 1.033 9.291 8.180 0.299 0.101 0.502 98 A N 0.989 123.904 122.820 0.158 0.000 2.566 98 A HA 0.093 4.476 4.320 -0.097 -0.120 0.297 98 A C -2.572 174.902 177.584 -0.184 0.000 1.059 98 A CA -0.466 51.547 52.037 -0.042 0.000 0.691 98 A CB 2.738 21.730 19.000 -0.013 0.000 1.282 98 A HN 0.052 8.305 8.150 0.171 0.000 0.401 99 K N 2.317 122.434 120.400 -0.471 0.000 2.482 99 K HA 0.252 4.376 4.320 -0.327 0.000 0.257 99 K C -1.928 174.245 176.600 -0.712 0.000 0.969 99 K CA -1.100 54.839 56.287 -0.580 0.000 0.842 99 K CB 4.037 36.117 32.500 -0.699 0.000 1.359 99 K HN 0.543 8.300 8.250 -0.625 0.118 0.441 100 A N 0.638 123.225 122.820 -0.389 0.000 2.294 100 A HA 0.560 4.976 4.320 -0.097 -0.154 0.330 100 A C -1.332 176.260 177.584 0.015 0.000 1.133 100 A CA -1.469 50.479 52.037 -0.149 0.000 0.836 100 A CB 1.866 20.829 19.000 -0.062 0.000 1.190 100 A HN 0.206 8.179 8.150 -0.295 0.000 0.492 101 L N -0.408 120.950 121.223 0.224 0.000 2.334 101 L HA 0.260 4.720 4.340 0.199 0.000 0.272 101 L C -0.401 176.580 176.870 0.186 0.000 1.020 101 L CA -0.803 54.187 54.840 0.251 0.000 0.812 101 L CB 2.129 44.354 42.059 0.276 0.000 1.264 101 L HN 0.268 8.620 8.230 0.203 0.000 0.439 102 H N 1.811 120.947 119.070 0.110 0.000 2.745 102 H HA 0.021 4.585 4.556 0.014 0.000 0.373 102 H C 0.749 176.083 175.328 0.009 0.000 1.226 102 H CA 0.079 56.151 56.048 0.039 0.000 1.435 102 H CB 2.109 31.873 29.762 0.005 0.000 1.461 102 H HN 0.129 8.624 8.280 0.358 0.000 0.616 103 E N 3.482 123.349 120.200 -0.554 0.000 2.216 103 E HA -0.281 3.948 4.350 -0.202 0.000 0.192 103 E C 1.963 178.412 176.600 -0.252 0.000 0.988 103 E CA 2.178 58.365 56.400 -0.356 0.000 0.834 103 E CB -0.239 29.226 29.700 -0.391 0.000 0.772 103 E HN 0.630 8.250 8.360 -1.233 0.000 0.479 104 Q N 0.109 119.733 119.800 -0.294 0.000 2.226 104 Q HA -0.227 4.023 4.340 -0.149 0.000 0.204 104 Q C 0.794 176.694 176.000 -0.166 0.000 0.975 104 Q CA 2.347 58.023 55.803 -0.211 0.000 0.866 104 Q CB -0.171 28.429 28.738 -0.230 0.000 0.915 104 Q HN -0.393 7.551 8.270 -0.497 0.028 0.440 105 Y N -3.920 116.454 120.300 0.124 0.000 2.720 105 Y HA 0.149 4.780 4.550 0.136 0.000 0.277 105 Y C -0.795 175.169 175.900 0.105 0.000 1.144 105 Y CA -2.242 55.943 58.100 0.142 0.000 1.221 105 Y CB 0.152 38.730 38.460 0.197 0.000 1.163 105 Y HN -0.794 7.454 8.280 0.000 0.033 0.537 106 C N 0.498 119.856 119.300 0.097 0.000 2.878 106 C HA 0.178 4.525 4.460 -0.188 0.000 0.313 106 C C -0.928 173.993 174.990 -0.115 0.000 1.397 106 C CA -0.210 58.754 59.018 -0.090 0.000 1.636 106 C CB -0.113 27.549 27.740 -0.129 0.000 2.075 106 C HN -0.172 7.914 8.230 0.044 0.170 0.518 107 E N 1.112 121.304 120.200 -0.013 0.000 2.412 107 E HA 0.240 4.569 4.350 -0.035 0.000 0.255 107 E C -1.545 175.098 176.600 0.071 0.000 0.933 107 E CA -1.499 54.912 56.400 0.017 0.000 0.823 107 E CB 2.666 32.411 29.700 0.075 0.000 1.352 107 E HN -0.500 7.872 8.360 0.104 0.051 0.406 108 K N -0.400 120.052 120.400 0.088 0.000 2.087 108 K HA -0.082 4.353 4.320 0.192 0.000 0.255 108 K C 0.291 176.989 176.600 0.163 0.000 0.988 108 K CA -0.179 56.191 56.287 0.138 0.000 0.915 108 K CB 0.828 33.381 32.500 0.088 0.000 1.043 108 K HN 0.051 8.337 8.250 0.060 0.000 0.457 109 D N 0.151 120.657 120.400 0.176 0.000 2.945 109 D HA -0.308 4.410 4.640 0.131 0.000 0.225 109 D C -1.588 174.797 176.300 0.142 0.000 1.158 109 D CA 1.690 55.773 54.000 0.139 0.000 0.805 109 D CB -0.285 40.578 40.800 0.105 0.000 1.098 109 D HN 0.166 8.654 8.370 0.197 0.000 0.426 110 N N -3.263 115.556 118.700 0.198 0.000 2.372 110 N HA 0.219 5.032 4.740 0.122 0.000 0.291 110 N C -1.028 174.484 175.510 0.002 0.000 1.024 110 N CA -0.805 52.344 53.050 0.165 0.000 0.873 110 N CB 2.197 40.865 38.487 0.301 0.000 1.206 110 N HN -0.385 8.134 8.380 0.287 0.033 0.486 111 I N 3.367 123.907 120.570 -0.050 0.000 2.291 111 I HA -0.073 3.940 4.170 -0.262 0.000 0.292 111 I C -1.437 174.560 176.117 -0.201 0.000 1.064 111 I CA 0.229 61.425 61.300 -0.174 0.000 1.269 111 I CB -0.032 37.874 38.000 -0.156 0.000 1.418 111 I HN 0.507 8.724 8.210 0.011 0.000 0.485 112 L N 10.155 131.131 121.223 -0.412 0.000 2.259 112 L HA 0.445 4.616 4.340 -0.282 0.000 0.288 112 L C -1.953 174.762 176.870 -0.259 0.000 1.051 112 L CA -1.310 53.302 54.840 -0.380 0.000 0.824 112 L CB 0.912 42.609 42.059 -0.603 0.000 1.206 112 L HN 0.601 8.374 8.230 -0.594 0.101 0.429 113 Y N 5.269 125.442 120.300 -0.211 0.000 2.468 113 Y HA 0.938 5.429 4.550 -0.332 -0.140 0.342 113 Y C -2.518 173.411 175.900 0.047 0.000 1.021 113 Y CA -3.371 54.611 58.100 -0.198 0.000 1.079 113 Y CB 2.574 40.889 38.460 -0.243 0.000 1.226 113 Y HN 0.488 8.563 8.280 -0.342 0.000 0.460 114 Y N -3.528 116.802 120.300 0.051 0.000 2.565 114 Y HA 0.755 5.501 4.550 0.118 -0.125 0.330 114 Y C -2.675 173.412 175.900 0.313 0.000 1.150 114 Y CA -1.758 56.414 58.100 0.121 0.000 1.055 114 Y CB 2.239 40.722 38.460 0.039 0.000 1.337 114 Y HN 0.546 8.662 8.280 -0.273 0.000 0.457 115 Y N -2.557 117.908 120.300 0.275 0.000 2.896 115 Y HA 0.540 5.238 4.550 0.247 0.000 0.317 115 Y C -3.260 172.791 175.900 0.253 0.000 1.444 115 Y CA -2.230 56.003 58.100 0.223 0.000 1.084 115 Y CB 2.630 41.147 38.460 0.094 0.000 1.382 115 Y HN 0.880 9.334 8.280 0.289 0.000 0.471 116 V N -0.845 119.107 119.914 0.063 0.000 2.888 116 V HA 0.679 4.813 4.120 -0.314 -0.202 0.309 116 V C -2.174 173.911 176.094 -0.015 0.000 1.114 116 V CA -3.008 59.204 62.300 -0.147 0.000 0.940 116 V CB 3.710 35.402 31.823 -0.218 0.000 1.021 116 V HN -0.439 7.984 8.190 0.387 0.000 0.426 117 N N 6.765 125.413 118.700 -0.086 0.000 2.538 117 N HA 0.137 4.949 4.740 0.120 0.000 0.292 117 N C 1.186 176.667 175.510 -0.048 0.000 1.262 117 N CA -1.117 51.941 53.050 0.014 0.000 0.976 117 N CB 0.762 39.258 38.487 0.014 0.000 1.161 117 N HN 0.157 8.432 8.380 -0.175 0.000 0.598 118 G N -4.906 103.876 108.800 -0.030 0.000 2.679 118 G HA2 -0.132 3.787 3.960 -0.069 0.000 0.212 118 G HA3 -0.132 3.806 3.960 -0.037 0.000 0.212 118 G C -0.675 174.187 174.900 -0.064 0.000 1.137 118 G CA 0.466 45.535 45.100 -0.052 0.000 0.787 118 G HN 0.260 8.549 8.290 -0.003 0.000 0.534 119 A N 0.095 122.876 122.820 -0.065 0.000 2.577 119 A HA 0.010 4.296 4.320 -0.058 0.000 0.280 119 A C -0.054 177.471 177.584 -0.098 0.000 1.331 119 A CA -0.714 51.283 52.037 -0.066 0.000 0.935 119 A CB -0.418 18.554 19.000 -0.048 0.000 1.082 119 A HN -0.922 7.312 8.150 -0.058 -0.119 0.525 120 G N -0.586 108.129 108.800 -0.140 0.000 2.296 120 G HA2 -0.430 3.421 3.960 -0.274 0.000 0.282 120 G HA3 -0.430 3.471 3.960 -0.199 -0.061 0.282 120 G C -1.065 173.715 174.900 -0.200 0.000 1.014 120 G CA 0.868 45.843 45.100 -0.209 0.000 0.812 120 G HN -0.505 7.608 8.290 -0.136 0.095 0.508 121 D N -0.459 119.846 120.400 -0.159 0.000 2.349 121 D HA 0.439 5.006 4.640 -0.122 0.000 0.232 121 D C -1.035 175.170 176.300 -0.159 0.000 1.071 121 D CA -0.841 53.079 54.000 -0.134 0.000 0.832 121 D CB 1.477 42.218 40.800 -0.098 0.000 1.086 121 D HN -0.120 8.477 8.370 -0.145 -0.314 0.504 122 V N 5.446 125.298 119.914 -0.104 0.000 2.385 122 V HA 0.255 4.494 4.120 -0.098 -0.178 0.269 122 V C -1.340 174.737 176.094 -0.028 0.000 1.043 122 V CA 0.359 62.639 62.300 -0.034 0.000 0.906 122 V CB 0.899 32.807 31.823 0.142 0.000 0.995 122 V HN 0.951 9.089 8.190 -0.087 0.000 0.467 123 I N 7.353 127.811 120.570 -0.187 0.000 2.404 123 I HA 0.617 5.024 4.170 0.039 -0.213 0.293 123 I C -1.051 175.093 176.117 0.045 0.000 0.992 123 I CA -1.923 59.307 61.300 -0.117 0.000 1.149 123 I CB 2.277 40.103 38.000 -0.289 0.000 1.315 123 I HN 0.579 8.433 8.210 -0.431 0.097 0.446 124 Y N 5.300 125.571 120.300 -0.049 0.000 2.654 124 Y HA 0.843 5.453 4.550 -0.064 -0.098 0.327 124 Y C -1.717 173.957 175.900 -0.376 0.000 1.122 124 Y CA -3.487 54.530 58.100 -0.139 0.000 1.227 124 Y CB 2.859 41.246 38.460 -0.121 0.000 1.370 124 Y HN -0.182 8.250 8.280 0.254 0.000 0.528 125 G N -3.575 104.699 108.800 -0.877 0.000 2.596 125 G HA2 0.364 3.824 3.960 -0.924 0.000 0.296 125 G HA3 0.364 3.636 3.960 -1.167 -0.012 0.296 125 G C -3.150 171.163 174.900 -0.978 0.000 1.513 125 G CA 0.543 44.988 45.100 -1.093 0.000 0.851 125 G HN 0.302 8.209 8.290 -0.638 0.000 0.548 126 I N 0.387 120.637 120.570 -0.534 0.000 2.569 126 I HA 0.715 4.958 4.170 -0.198 -0.192 0.296 126 I C 0.192 176.289 176.117 -0.034 0.000 1.028 126 I CA -4.106 57.028 61.300 -0.277 0.000 1.082 126 I CB 2.407 40.154 38.000 -0.421 0.000 1.264 126 I HN -0.075 7.809 8.210 -0.544 0.000 0.429 127 N N 7.433 126.174 118.700 0.068 0.000 2.725 127 N HA -0.448 4.342 4.740 0.083 0.000 0.251 127 N C -0.985 174.597 175.510 0.120 0.000 1.031 127 N CA 1.059 54.162 53.050 0.088 0.000 0.720 127 N CB -1.493 37.036 38.487 0.069 0.000 0.930 127 N HN 0.416 8.828 8.380 0.054 0.000 0.543 128 N N -8.280 110.547 118.700 0.212 0.000 2.740 128 N HA -0.464 4.195 4.740 -0.135 0.000 0.248 128 N C -1.869 173.741 175.510 0.166 0.000 1.062 128 N CA 1.964 55.070 53.050 0.094 0.000 0.704 128 N CB -1.140 37.349 38.487 0.004 0.000 0.968 128 N HN 0.469 9.049 8.380 0.333 0.000 0.547 129 E N -2.858 117.493 120.200 0.252 0.000 2.502 129 E HA 0.254 4.656 4.350 0.087 0.000 0.261 129 E C -1.037 175.539 176.600 -0.040 0.000 0.974 129 E CA -1.515 54.934 56.400 0.081 0.000 0.795 129 E CB 1.803 31.506 29.700 0.005 0.000 1.385 129 E HN -0.298 8.210 8.360 0.387 0.084 0.400 130 E N 4.792 125.005 120.200 0.021 0.000 2.422 130 E HA -0.161 4.164 4.350 -0.315 -0.164 0.260 130 E C -0.530 175.896 176.600 -0.290 0.000 1.108 130 E CA 0.339 56.650 56.400 -0.148 0.000 0.943 130 E CB 0.338 30.047 29.700 0.015 0.000 0.961 130 E HN 0.276 8.705 8.360 0.115 0.000 0.443 131 K N 1.205 121.289 120.400 -0.526 0.000 2.436 131 K HA 0.174 4.327 4.320 -0.278 0.000 0.198 131 K C 0.049 176.496 176.600 -0.255 0.000 1.174 131 K CA -0.819 55.178 56.287 -0.483 0.000 0.951 131 K CB 2.013 33.931 32.500 -0.970 0.000 1.040 131 K HN 0.592 8.445 8.250 -0.663 0.000 0.536 132 G N -0.516 108.147 108.800 -0.229 0.000 2.343 132 G HA2 -0.226 3.697 3.960 -0.061 0.000 0.562 132 G HA3 -0.226 3.712 3.960 -0.037 0.000 0.562 132 G C -2.317 172.583 174.900 -0.000 0.000 1.269 132 G CA -0.624 44.433 45.100 -0.072 0.000 1.011 132 G HN -0.784 7.309 8.290 -0.327 0.000 0.498 133 V N 0.647 120.569 119.914 0.013 0.000 2.403 133 V HA -0.166 4.158 4.120 0.013 -0.196 0.265 133 V C 0.502 176.648 176.094 0.086 0.000 1.034 133 V CA 1.029 63.345 62.300 0.027 0.000 1.036 133 V CB -0.905 30.913 31.823 -0.009 0.000 1.032 133 V HN 0.222 8.412 8.190 -0.001 0.000 0.478 134 I N 7.830 128.487 120.570 0.146 0.000 3.339 134 I HA 0.146 4.386 4.170 0.117 0.000 0.285 134 I C -1.262 174.863 176.117 0.013 0.000 1.201 134 I CA 0.223 61.596 61.300 0.121 0.000 1.434 134 I CB 1.690 39.783 38.000 0.155 0.000 1.152 134 I HN 0.313 8.624 8.210 0.169 0.000 0.443 135 L N -1.306 119.921 121.223 0.006 0.000 2.381 135 L HA 0.454 4.780 4.340 -0.024 0.000 0.268 135 L C -2.438 174.406 176.870 -0.044 0.000 0.997 135 L CA -0.665 54.160 54.840 -0.025 0.000 0.818 135 L CB 3.497 45.532 42.059 -0.041 0.000 1.310 135 L HN -0.729 7.526 8.230 0.041 0.000 0.416 136 T N 1.184 115.707 114.554 -0.052 0.000 2.716 136 T HA 0.878 5.321 4.350 -0.150 -0.184 0.286 136 T C 0.099 174.712 174.700 -0.145 0.000 1.052 136 T CA -2.525 59.514 62.100 -0.101 0.000 1.024 136 T CB 2.863 71.703 68.868 -0.045 0.000 1.349 136 T HN 0.076 8.311 8.240 -0.007 0.000 0.525 137 G N -1.321 107.392 108.800 -0.145 0.000 2.141 137 G HA2 -0.338 3.634 3.960 0.021 0.000 0.242 137 G HA3 -0.338 3.726 3.960 0.174 0.000 0.242 137 G C -0.471 174.191 174.900 -0.396 0.000 0.982 137 G CA 0.212 45.281 45.100 -0.052 0.000 0.662 137 G HN 0.055 8.268 8.290 -0.128 0.000 0.527 138 I N 1.373 121.497 120.570 -0.743 0.000 2.352 138 I HA -0.089 2.820 4.170 -2.102 0.000 0.290 138 I C -0.979 174.814 176.117 -0.539 0.000 1.036 138 I CA -0.495 60.132 61.300 -1.122 0.000 1.336 138 I CB 0.518 37.931 38.000 -0.979 0.000 1.407 138 I HN -0.752 7.099 8.210 -0.523 0.045 0.497 139 D N 6.669 126.847 120.400 -0.370 0.000 2.344 139 D HA -0.048 4.527 4.640 -0.107 0.000 0.244 139 D C -0.410 175.785 176.300 -0.175 0.000 1.134 139 D CA 0.285 54.206 54.000 -0.131 0.000 0.930 139 D CB 1.745 42.573 40.800 0.047 0.000 1.175 139 D HN 0.311 8.416 8.370 -0.442 0.000 0.437 140 T N -1.383 113.101 114.554 -0.116 0.000 3.584 140 T HA 0.140 4.397 4.350 -0.155 0.000 0.259 140 T C -1.089 173.566 174.700 -0.073 0.000 1.009 140 T CA -0.390 61.637 62.100 -0.121 0.000 1.103 140 T CB -0.848 67.945 68.868 -0.125 0.000 1.099 140 T HN 0.102 8.295 8.240 -0.079 0.000 0.539 141 R N 0.821 121.292 120.500 -0.047 0.000 2.119 141 R HA 0.286 4.608 4.340 -0.029 0.000 0.202 141 R C 0.601 176.886 176.300 -0.025 0.000 1.114 141 R CA 0.270 56.355 56.100 -0.025 0.000 1.089 141 R CB 0.540 30.840 30.300 0.000 0.000 1.000 141 R HN -0.108 8.138 8.270 -0.040 0.000 0.487 142 S N -0.910 114.781 115.700 -0.016 0.000 2.767 142 S HA 0.160 4.617 4.470 -0.022 0.000 0.300 142 S C -0.445 174.112 174.600 -0.073 0.000 1.123 142 S CA -1.198 56.992 58.200 -0.017 0.000 0.992 142 S CB 1.714 64.934 63.200 0.033 0.000 1.138 142 S HN -0.209 8.100 8.310 -0.002 0.000 0.550 143 L N 0.213 121.369 121.223 -0.113 0.000 2.489 143 L HA -0.118 4.040 4.340 -0.304 0.000 0.285 143 L C -0.737 175.918 176.870 -0.357 0.000 1.259 143 L CA 0.819 55.471 54.840 -0.315 0.000 0.828 143 L CB 0.034 41.817 42.059 -0.460 0.000 1.094 143 L HN -0.115 8.081 8.230 -0.057 0.000 0.524 144 L N -3.769 117.104 121.223 -0.584 0.000 2.465 144 L HA 0.324 4.658 4.340 -0.010 0.000 0.257 144 L C -1.757 174.900 176.870 -0.354 0.000 0.988 144 L CA -1.113 53.561 54.840 -0.278 0.000 0.827 144 L CB 4.057 46.013 42.059 -0.171 0.000 1.397 144 L HN -0.024 7.765 8.230 -0.735 0.000 0.410 145 W N -1.151 120.323 121.300 0.290 0.000 2.950 145 W HA 0.466 5.301 4.660 0.292 0.000 0.340 145 W C -1.232 175.528 176.519 0.402 0.000 1.139 145 W CA -0.783 56.751 57.345 0.314 0.000 1.188 145 W CB 4.732 34.334 29.460 0.237 0.000 1.426 145 W HN 0.067 8.594 8.180 0.579 0.000 0.531 146 T N -2.205 112.629 114.554 0.468 0.000 2.902 146 T HA 0.438 4.821 4.350 -0.152 -0.123 0.280 146 T C -1.222 173.500 174.700 0.036 0.000 0.992 146 T CA -1.392 60.774 62.100 0.110 0.000 1.015 146 T CB 2.151 71.070 68.868 0.084 0.000 1.044 146 T HN 0.130 8.661 8.240 0.485 0.000 0.520 147 V N -5.052 114.790 119.914 -0.120 0.000 2.888 147 V HA 0.748 4.682 4.120 -0.540 -0.138 0.309 147 V C -2.393 173.656 176.094 -0.075 0.000 1.114 147 V CA -1.679 60.411 62.300 -0.351 0.000 0.940 147 V CB 3.563 35.038 31.823 -0.581 0.000 1.021 147 V HN 0.489 8.600 8.190 -0.131 0.000 0.426 148 I N 2.798 123.364 120.570 -0.007 0.000 2.610 148 I HA 0.656 5.150 4.170 0.170 -0.222 0.289 148 I C -2.237 173.982 176.117 0.171 0.000 1.163 148 I CA -0.908 60.498 61.300 0.177 0.000 1.044 148 I CB 4.238 42.461 38.000 0.370 0.000 1.251 148 I HN 1.039 9.074 8.210 -0.114 0.107 0.424 149 D N 6.368 126.874 120.400 0.176 0.000 2.308 149 D HA 0.522 5.404 4.640 0.181 -0.134 0.242 149 D C -0.525 175.904 176.300 0.214 0.000 1.059 149 D CA -1.758 52.352 54.000 0.184 0.000 0.830 149 D CB 3.058 43.959 40.800 0.169 0.000 1.161 149 D HN 0.424 8.901 8.370 0.178 0.000 0.494 150 I N 2.114 122.812 120.570 0.213 0.000 2.361 150 I HA 0.366 4.661 4.170 0.209 0.000 0.282 150 I C -2.076 174.200 176.117 0.264 0.000 1.075 150 I CA -1.649 59.779 61.300 0.214 0.000 1.205 150 I CB -1.360 36.753 38.000 0.188 0.000 1.406 150 I HN 0.302 8.628 8.210 0.193 0.000 0.481 151 Y N 9.193 129.543 120.300 0.084 0.000 2.441 151 Y HA 0.138 4.715 4.550 0.045 0.000 0.345 151 Y C -2.488 173.448 175.900 0.060 0.000 1.129 151 Y CA -0.127 58.008 58.100 0.058 0.000 1.333 151 Y CB 1.122 39.614 38.460 0.052 0.000 1.104 151 Y HN -0.393 8.024 8.280 0.228 0.000 0.551 152 G N 5.538 114.302 108.800 -0.060 0.000 1.876 152 G HA2 -0.160 3.678 3.960 -0.202 0.000 0.059 152 G HA3 -0.160 3.682 3.960 -0.196 0.000 0.059 152 G C -2.272 172.657 174.900 0.048 0.000 0.755 152 G CA 0.657 45.682 45.100 -0.126 0.000 1.092 152 G HN -0.440 7.930 8.290 0.133 0.000 0.322 153 N N 4.715 123.401 118.700 -0.023 0.000 2.994 153 N HA 0.257 5.191 4.740 -0.020 -0.206 0.306 153 N C -1.610 173.840 175.510 -0.100 0.000 1.348 153 N CA 0.075 53.092 53.050 -0.055 0.000 1.109 153 N CB -0.369 38.053 38.487 -0.107 0.000 1.415 153 N HN -0.031 8.316 8.380 -0.055 0.000 0.529 154 C N -2.891 116.406 119.300 -0.004 0.000 3.279 154 C HA 0.113 4.528 4.460 -0.074 0.000 0.386 154 C C -1.841 173.218 174.990 0.116 0.000 1.081 154 C CA -1.089 57.920 59.018 -0.014 0.000 1.192 154 C CB 2.600 30.299 27.740 -0.069 0.000 1.552 154 C HN -0.296 7.905 8.230 0.086 0.081 0.559 155 T N 3.882 118.514 114.554 0.129 0.000 3.221 155 T HA 0.211 4.668 4.350 0.178 0.000 0.250 155 T C 0.013 174.803 174.700 0.150 0.000 0.988 155 T CA -0.041 62.154 62.100 0.159 0.000 1.163 155 T CB 1.181 70.145 68.868 0.161 0.000 1.098 155 T HN 0.281 8.484 8.240 0.102 0.099 0.422 156 G N 1.426 110.323 108.800 0.161 0.000 2.416 156 G HA2 0.472 4.707 3.960 0.132 0.000 0.329 156 G HA3 0.472 4.526 3.960 0.156 0.000 0.329 156 G C -1.785 173.272 174.900 0.261 0.000 1.173 156 G CA -1.319 43.884 45.100 0.171 0.000 0.929 156 G HN -0.514 7.724 8.290 0.157 0.146 0.475 157 I N -3.442 117.298 120.570 0.284 0.000 2.607 157 I HA 0.604 5.135 4.170 0.397 -0.123 0.290 157 I C -2.634 173.817 176.117 0.555 0.000 1.129 157 I CA -1.408 60.148 61.300 0.427 0.000 1.042 157 I CB 3.734 42.054 38.000 0.534 0.000 1.242 157 I HN 1.022 9.237 8.210 0.195 0.111 0.421 158 E N 4.782 125.238 120.200 0.427 0.000 2.165 158 E HA 0.456 5.198 4.350 0.652 0.000 0.266 158 E C -2.147 174.622 176.600 0.282 0.000 0.889 158 E CA -2.382 54.274 56.400 0.426 0.000 0.756 158 E CB 3.780 33.637 29.700 0.261 0.000 1.131 158 E HN 0.352 8.884 8.360 0.287 0.000 0.411 159 F N 4.667 124.590 119.950 -0.044 0.000 2.467 159 F HA 0.095 4.653 4.527 -0.168 -0.132 0.362 159 F C 0.190 175.930 175.800 -0.101 0.000 1.090 159 F CA 0.654 58.538 58.000 -0.194 0.000 1.202 159 F CB 0.539 39.269 39.000 -0.450 0.000 1.113 159 F HN 0.437 8.972 8.300 0.392 0.000 0.541 160 L N 3.837 125.016 121.223 -0.075 0.000 2.332 160 L HA 0.249 4.629 4.340 0.067 0.000 0.269 160 L C -0.749 176.117 176.870 -0.006 0.000 1.016 160 L CA -1.573 53.258 54.840 -0.015 0.000 0.809 160 L CB 1.872 43.883 42.059 -0.081 0.000 1.280 160 L HN 0.184 8.132 8.230 -0.270 0.120 0.447 161 D N 1.021 121.470 120.400 0.080 0.000 2.380 161 D HA 0.188 4.850 4.640 0.036 0.000 0.230 161 D C 0.897 177.256 176.300 0.098 0.000 1.154 161 D CA -0.116 53.927 54.000 0.071 0.000 0.859 161 D CB 0.662 41.508 40.800 0.077 0.000 1.045 161 D HN 0.118 8.574 8.370 0.143 0.000 0.495 162 S N 4.901 120.601 115.700 0.000 0.000 2.420 162 S HA -0.385 4.054 4.470 -0.051 0.000 0.237 162 S C 1.245 175.867 174.600 0.038 0.000 1.023 162 S CA 3.315 61.500 58.200 -0.026 0.000 0.991 162 S CB 0.188 63.324 63.200 -0.106 0.000 0.792 162 S HN 0.410 8.699 8.310 -0.034 0.000 0.488 163 R N 0.590 121.110 120.500 0.032 0.000 2.152 163 R HA -0.191 4.153 4.340 0.007 0.000 0.232 163 R C 1.311 177.637 176.300 0.044 0.000 1.117 163 R CA 2.429 58.544 56.100 0.025 0.000 0.981 163 R CB -0.405 29.904 30.300 0.014 0.000 0.870 163 R HN 0.000 8.250 8.270 0.025 0.035 0.451 164 I N -2.459 118.157 120.570 0.077 0.000 2.406 164 I HA -0.314 3.837 4.170 -0.031 0.000 0.249 164 I C 1.290 177.368 176.117 -0.064 0.000 1.122 164 I CA 2.694 63.993 61.300 -0.002 0.000 1.431 164 I CB 0.227 38.208 38.000 -0.031 0.000 1.087 164 I HN -0.039 8.083 8.210 0.122 0.161 0.424 165 Y N -1.910 118.362 120.300 -0.048 0.000 2.226 165 Y HA -0.146 4.384 4.550 -0.033 0.000 0.275 165 Y C 0.972 176.870 175.900 -0.003 0.000 1.087 165 Y CA 1.383 59.451 58.100 -0.053 0.000 1.086 165 Y CB 0.084 38.471 38.460 -0.121 0.000 1.026 165 Y HN -0.892 7.545 8.280 0.410 0.089 0.484 166 M N -1.118 118.546 119.600 0.106 0.000 2.150 166 M HA -0.222 4.218 4.480 -0.067 0.000 0.278 166 M C -0.649 175.709 176.300 0.095 0.000 1.213 166 M CA 1.612 56.892 55.300 -0.033 0.000 1.147 166 M CB 0.007 32.488 32.600 -0.199 0.000 1.371 166 M HN -0.290 8.053 8.290 0.090 0.000 0.444 167 Y N -7.176 113.074 120.300 -0.084 0.000 2.623 167 Y HA 0.160 4.672 4.550 -0.063 0.000 0.274 167 Y C -0.302 175.556 175.900 -0.071 0.000 1.126 167 Y CA -0.296 57.763 58.100 -0.069 0.000 1.061 167 Y CB -0.124 38.299 38.460 -0.061 0.000 1.370 167 Y HN 0.111 8.041 8.280 -0.583 0.000 0.537 168 Q N 0.000 119.410 119.800 -0.649 0.000 2.315 168 Q HA 0.000 4.255 4.340 -0.142 0.000 0.214 168 Q CA 0.000 55.581 55.803 -0.371 0.000 1.022 168 Q CB 0.000 28.440 28.738 -0.497 0.000 1.108 168 Q HN 0.000 7.359 8.270 -1.519 0.000 0.481