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 2dpt_1_A DATA FIRST_RESID 2 DATA SEQUENCE RLVQLSRHSI AFPSPEGALR EPNGLLALGG DLSPARLLMA YQRGIFPWFS DATA SEQUENCE PGDPILWWSP DPRAVLWPES LHISRSMKRF HKRSPYRVTM NYAFGQVIEG DATA SEQUENCE CASDREEGTW ITRGVVEAYH RLHELGHAHS IEVWREDELV GGMYGVAQGT DATA SEQUENCE LFCGESMFSR MENASKTALL VFCEEFIGHG GKLIDCQVLN DHTASLGACE DATA SEQUENCE IPRRDYLNYL NQMRLGRLPN NFWVPRCLFS PQ 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 2 R HA 0.000 4.340 4.340 0.000 0.000 0.208 2 R C 0.000 176.278 176.300 -0.037 0.000 0.893 2 R CA 0.000 56.082 56.100 -0.030 0.000 0.921 2 R CB 0.000 30.283 30.300 -0.028 0.000 0.687 3 L N 0.159 121.356 121.223 -0.044 0.000 0.598 3 L HA -0.159 4.182 4.340 0.001 0.000 0.356 3 L C -1.136 175.705 176.870 -0.048 0.000 1.008 3 L CA 1.009 55.816 54.840 -0.055 0.000 1.223 3 L CB -0.293 41.728 42.059 -0.062 0.000 0.045 3 L HN 0.651 8.881 8.230 0.000 0.000 0.093 4 V N 1.110 120.994 119.914 -0.049 0.000 3.023 4 V HA 0.405 4.525 4.120 0.001 0.000 0.294 4 V C -1.024 175.041 176.094 -0.049 0.000 1.324 4 V CA -0.237 62.032 62.300 -0.050 0.000 0.979 4 V CB 2.068 33.856 31.823 -0.058 0.000 1.093 4 V HN 0.817 9.007 8.190 0.000 0.000 0.434 5 Q N 4.212 123.979 119.800 -0.054 0.000 2.274 5 Q HA 0.650 4.990 4.340 0.001 0.000 0.256 5 Q C -1.045 174.900 176.000 -0.091 0.000 0.927 5 Q CA -0.152 55.620 55.803 -0.051 0.000 0.939 5 Q CB 1.420 30.132 28.738 -0.043 0.000 1.201 5 Q HN 0.754 9.024 8.270 0.000 0.000 0.426 6 L N 2.023 123.178 121.223 -0.113 0.000 2.439 6 L HA 0.447 4.788 4.340 0.001 0.000 0.261 6 L C 0.241 177.030 176.870 -0.135 0.000 1.153 6 L CA -0.490 54.224 54.840 -0.210 0.000 0.808 6 L CB 1.475 43.320 42.059 -0.355 0.000 1.126 6 L HN 0.570 8.800 8.230 0.000 0.000 0.460 7 S N 0.231 115.845 115.700 -0.143 0.000 2.578 7 S HA 0.294 4.764 4.470 0.001 0.000 0.301 7 S C 0.782 175.351 174.600 -0.052 0.000 1.091 7 S CA -0.743 57.414 58.200 -0.073 0.000 1.032 7 S CB 1.648 64.815 63.200 -0.055 0.000 1.064 7 S HN 0.662 8.972 8.310 0.000 0.000 0.508 8 R N 1.440 121.933 120.500 -0.012 0.000 2.189 8 R HA -0.105 4.235 4.340 0.001 0.000 0.223 8 R C 1.697 177.999 176.300 0.003 0.000 1.092 8 R CA 1.118 57.213 56.100 -0.009 0.000 0.989 8 R CB -0.513 29.787 30.300 -0.000 0.000 0.876 8 R HN 0.833 9.103 8.270 0.000 0.000 0.457 9 H N -0.004 119.024 119.070 -0.069 0.000 2.269 9 H HA 0.015 4.572 4.556 0.001 0.000 0.299 9 H C 0.361 175.641 175.328 -0.079 0.000 1.058 9 H CA 1.496 57.506 56.048 -0.064 0.000 1.246 9 H CB -0.298 29.428 29.762 -0.060 0.000 1.376 9 H HN 0.064 8.344 8.280 0.000 0.000 0.503 10 S N -1.156 114.672 115.700 0.213 0.000 2.661 10 S HA 0.294 4.764 4.470 0.001 0.000 0.265 10 S C 1.065 175.609 174.600 -0.093 0.000 1.225 10 S CA -0.228 58.017 58.200 0.075 0.000 0.986 10 S CB 0.475 63.681 63.200 0.009 0.000 1.008 10 S HN 0.350 8.660 8.310 0.000 0.000 0.565 11 I N 1.204 121.696 120.570 -0.130 0.000 4.225 11 I HA 0.353 4.523 4.170 0.001 0.000 0.327 11 I C 0.488 176.438 176.117 -0.278 0.000 1.422 11 I CA 0.040 61.218 61.300 -0.203 0.000 1.150 11 I CB 0.221 38.168 38.000 -0.087 0.000 1.192 11 I HN 0.536 8.746 8.210 0.000 0.000 0.440 12 A N 0.644 123.321 122.820 -0.239 0.000 2.371 12 A HA 0.642 4.962 4.320 0.001 0.000 0.257 12 A C -0.750 176.616 177.584 -0.364 0.000 1.089 12 A CA 0.353 52.281 52.037 -0.182 0.000 0.794 12 A CB 0.108 19.048 19.000 -0.100 0.000 1.029 12 A HN 0.155 8.305 8.150 0.000 0.000 0.488 13 F N 1.119 120.979 119.950 -0.150 0.000 2.579 13 F HA 0.559 5.086 4.527 0.001 0.000 0.324 13 F C -1.630 174.096 175.800 -0.124 0.000 1.058 13 F CA -1.615 56.275 58.000 -0.183 0.000 0.944 13 F CB 1.902 40.776 39.000 -0.210 0.000 1.245 13 F HN 0.443 8.743 8.300 0.000 0.000 0.477 14 P HA 0.118 4.538 4.420 0.000 0.000 0.278 14 P C -0.692 176.631 177.300 0.039 0.000 1.238 14 P CA -0.386 62.735 63.100 0.035 0.000 0.794 14 P CB 1.492 33.195 31.700 0.006 0.000 0.955 15 S N 2.520 118.230 115.700 0.016 0.000 2.575 15 S HA 0.040 4.511 4.470 0.001 0.000 0.295 15 S C -1.238 173.364 174.600 0.003 0.000 1.267 15 S CA -0.820 57.386 58.200 0.009 0.000 1.074 15 S CB -0.357 62.845 63.200 0.004 0.000 0.829 15 S HN 0.247 8.557 8.310 0.000 0.000 0.497 16 P HA -0.126 4.294 4.420 0.000 0.000 0.217 16 P C 1.136 178.440 177.300 0.006 0.000 1.151 16 P CA 1.027 64.126 63.100 -0.001 0.000 0.849 16 P CB 0.118 31.825 31.700 0.012 0.000 0.787 17 E N -0.935 119.271 120.200 0.010 0.000 2.331 17 E HA -0.084 4.266 4.350 0.001 0.000 0.199 17 E C 1.957 178.559 176.600 0.003 0.000 1.008 17 E CA 1.252 57.659 56.400 0.011 0.000 0.843 17 E CB -1.209 28.496 29.700 0.010 0.000 0.761 17 E HN 0.220 8.580 8.360 0.000 0.000 0.507 18 G N -0.640 108.158 108.800 -0.004 0.000 2.985 18 G HA2 0.224 4.184 3.960 0.001 0.000 0.209 18 G HA3 0.224 4.184 3.960 0.001 0.000 0.209 18 G C 0.556 175.445 174.900 -0.019 0.000 1.165 18 G CA 0.276 45.369 45.100 -0.011 0.000 0.776 18 G HN 0.367 8.657 8.290 0.000 0.000 0.541 19 A N -0.077 122.731 122.820 -0.019 0.000 2.475 19 A HA 0.508 4.828 4.320 0.001 0.000 0.239 19 A C 0.540 178.106 177.584 -0.028 0.000 1.087 19 A CA -0.154 51.862 52.037 -0.035 0.000 0.779 19 A CB 0.273 19.258 19.000 -0.024 0.000 1.036 19 A HN 0.275 8.425 8.150 0.000 0.000 0.506 20 L N 0.404 121.599 121.223 -0.046 0.000 2.466 20 L HA 0.235 4.576 4.340 0.001 0.000 0.257 20 L C 1.639 178.512 176.870 0.006 0.000 1.189 20 L CA -0.748 54.075 54.840 -0.028 0.000 0.813 20 L CB 0.241 42.270 42.059 -0.050 0.000 1.118 20 L HN 0.767 8.997 8.230 0.000 0.000 0.471 21 R N 0.337 120.845 120.500 0.012 0.000 2.105 21 R HA 0.140 4.481 4.340 0.001 0.000 0.214 21 R C -0.144 176.179 176.300 0.038 0.000 1.091 21 R CA 0.613 56.728 56.100 0.025 0.000 1.007 21 R CB -0.007 30.303 30.300 0.017 0.000 0.912 21 R HN 0.488 8.758 8.270 0.000 0.000 0.450 22 E N 0.957 121.179 120.200 0.036 0.000 2.317 22 E HA 0.241 4.592 4.350 0.001 0.000 0.270 22 E C -2.562 174.069 176.600 0.053 0.000 0.899 22 E CA -1.665 54.766 56.400 0.050 0.000 0.814 22 E CB 1.510 31.230 29.700 0.034 0.000 1.296 22 E HN -0.047 8.313 8.360 0.000 0.000 0.404 23 P HA 0.036 4.456 4.420 0.000 0.000 0.262 23 P C -0.346 177.095 177.300 0.235 0.000 1.199 23 P CA -0.260 62.961 63.100 0.201 0.000 0.763 23 P CB 0.512 32.420 31.700 0.347 0.000 0.790 24 N N 2.257 121.073 118.700 0.192 0.000 2.414 24 N HA 0.039 4.779 4.740 0.001 0.000 0.268 24 N C 1.507 177.190 175.510 0.288 0.000 1.286 24 N CA 1.753 54.898 53.050 0.159 0.000 0.896 24 N CB -0.168 38.364 38.487 0.075 0.000 1.093 24 N HN 0.782 9.162 8.380 0.000 0.000 0.480 25 G N 3.164 112.084 108.800 0.200 0.000 2.234 25 G HA2 -0.238 3.723 3.960 0.001 0.000 0.235 25 G HA3 -0.238 3.723 3.960 0.001 0.000 0.235 25 G C 0.357 175.288 174.900 0.051 0.000 0.997 25 G CA -0.144 45.084 45.100 0.213 0.000 0.623 25 G HN 0.576 8.866 8.290 0.000 0.000 0.514 26 L N 1.201 122.293 121.223 -0.217 0.000 2.700 26 L HA 0.215 4.555 4.340 0.001 0.000 0.272 26 L C 1.631 178.261 176.870 -0.399 0.000 1.176 26 L CA 0.671 55.014 54.840 -0.828 0.000 0.961 26 L CB 0.820 42.393 42.059 -0.810 0.000 1.249 26 L HN 0.401 8.631 8.230 0.000 0.000 0.487 27 L N 5.280 126.289 121.223 -0.357 0.000 2.526 27 L HA 0.520 4.861 4.340 0.001 0.000 0.210 27 L C 0.337 177.153 176.870 -0.089 0.000 1.048 27 L CA 0.982 55.731 54.840 -0.152 0.000 0.852 27 L CB 0.443 42.456 42.059 -0.077 0.000 1.128 27 L HN 0.623 8.853 8.230 0.000 0.000 0.482 28 A N -0.562 122.234 122.820 -0.040 0.000 2.586 28 A HA 0.661 4.982 4.320 0.001 0.000 0.290 28 A C -1.778 175.922 177.584 0.194 0.000 1.086 28 A CA -0.269 51.799 52.037 0.051 0.000 0.665 28 A CB 0.831 19.867 19.000 0.060 0.000 1.279 28 A HN 0.290 8.440 8.150 0.000 0.000 0.423 29 L N -1.599 119.722 121.223 0.163 0.000 2.327 29 L HA 0.994 5.335 4.340 0.001 0.000 0.258 29 L C 0.380 177.362 176.870 0.187 0.000 1.024 29 L CA -0.289 54.660 54.840 0.181 0.000 0.825 29 L CB 1.634 43.703 42.059 0.015 0.000 1.386 29 L HN 2.519 10.749 8.230 0.000 0.000 0.417 30 G N -0.293 108.606 108.800 0.165 0.000 2.545 30 G HA2 0.365 4.325 3.960 0.001 0.000 0.216 30 G HA3 0.365 4.325 3.960 0.001 0.000 0.216 30 G C 0.292 175.349 174.900 0.260 0.000 1.314 30 G CA -0.098 45.076 45.100 0.124 0.000 0.906 30 G HN 2.622 10.912 8.290 0.000 0.000 0.563 31 G N -0.583 108.283 108.800 0.110 0.000 2.498 31 G HA2 0.399 4.360 3.960 0.001 0.000 0.245 31 G HA3 0.399 4.360 3.960 0.001 0.000 0.245 31 G C -0.109 174.884 174.900 0.155 0.000 1.204 31 G CA 1.174 46.328 45.100 0.090 0.000 0.933 31 G HN 2.716 11.006 8.290 0.000 0.000 0.574 32 D N -1.398 119.144 120.400 0.237 0.000 2.825 32 D HA 0.496 5.137 4.640 0.001 0.000 0.327 32 D C 0.134 176.647 176.300 0.354 0.000 1.277 32 D CA -0.655 53.476 54.000 0.219 0.000 0.950 32 D CB 0.934 41.807 40.800 0.122 0.000 1.438 32 D HN 0.667 9.037 8.370 0.000 0.000 0.526 33 L N 0.906 122.286 121.223 0.262 0.000 3.141 33 L HA 0.163 4.503 4.340 0.001 0.000 0.267 33 L C 0.578 177.558 176.870 0.182 0.000 1.281 33 L CA -0.356 54.656 54.840 0.285 0.000 1.037 33 L CB 0.489 42.694 42.059 0.243 0.000 1.407 33 L HN 0.377 8.607 8.230 0.000 0.000 0.566 34 S N -1.386 114.406 115.700 0.154 0.000 2.572 34 S HA 0.204 4.675 4.470 0.001 0.000 0.279 34 S C -1.614 173.032 174.600 0.077 0.000 1.341 34 S CA -0.972 57.281 58.200 0.089 0.000 1.043 34 S CB 0.983 64.219 63.200 0.061 0.000 0.887 34 S HN -0.027 8.283 8.310 0.000 0.000 0.516 35 P HA -0.225 4.195 4.420 0.000 0.000 0.217 35 P C 1.652 178.953 177.300 0.001 0.000 1.158 35 P CA 2.330 65.428 63.100 -0.004 0.000 0.887 35 P CB -0.241 31.451 31.700 -0.012 0.000 0.792 36 A N -0.451 122.378 122.820 0.014 0.000 1.865 36 A HA -0.252 4.069 4.320 0.001 0.000 0.217 36 A C 2.443 180.060 177.584 0.055 0.000 1.191 36 A CA 1.986 54.033 52.037 0.017 0.000 0.623 36 A CB -1.238 17.767 19.000 0.009 0.000 0.826 36 A HN 0.047 8.197 8.150 0.000 0.000 0.444 37 R N -0.490 120.056 120.500 0.078 0.000 2.075 37 R HA -0.027 4.313 4.340 0.001 0.000 0.232 37 R C 2.104 178.553 176.300 0.248 0.000 1.126 37 R CA 1.358 57.530 56.100 0.119 0.000 0.963 37 R CB -0.396 29.945 30.300 0.067 0.000 0.858 37 R HN 0.530 8.800 8.270 0.000 0.000 0.435 38 L N 0.627 122.012 121.223 0.270 0.000 1.989 38 L HA -0.239 4.102 4.340 0.001 0.000 0.211 38 L C 2.460 179.520 176.870 0.316 0.000 1.071 38 L CA 0.901 55.953 54.840 0.353 0.000 0.749 38 L CB -0.473 41.721 42.059 0.225 0.000 0.890 38 L HN 0.235 8.465 8.230 0.000 0.000 0.431 39 L N -0.890 120.433 121.223 0.167 0.000 2.042 39 L HA -0.254 4.087 4.340 0.001 0.000 0.210 39 L C 2.466 179.421 176.870 0.140 0.000 1.076 39 L CA 1.796 56.699 54.840 0.104 0.000 0.749 39 L CB -0.628 41.373 42.059 -0.096 0.000 0.893 39 L HN 0.290 8.520 8.230 0.000 0.000 0.432 40 M N -0.775 118.904 119.600 0.131 0.000 2.117 40 M HA -0.119 4.362 4.480 0.001 0.000 0.262 40 M C 2.216 178.547 176.300 0.051 0.000 1.065 40 M CA 2.042 57.421 55.300 0.131 0.000 1.114 40 M CB -0.823 31.892 32.600 0.192 0.000 1.361 40 M HN 0.197 8.487 8.290 0.000 0.000 0.408 41 A N -0.995 121.799 122.820 -0.044 0.000 1.877 41 A HA -0.193 4.128 4.320 0.001 0.000 0.216 41 A C 2.056 179.472 177.584 -0.280 0.000 1.186 41 A CA 1.843 53.580 52.037 -0.500 0.000 0.620 41 A CB -1.388 17.328 19.000 -0.473 0.000 0.822 41 A HN 0.612 8.762 8.150 0.000 0.000 0.443 42 Y N 0.034 120.367 120.300 0.054 0.000 2.224 42 Y HA -0.225 4.326 4.550 0.001 0.000 0.289 42 Y C 2.751 178.700 175.900 0.081 0.000 1.146 42 Y CA 1.779 59.945 58.100 0.111 0.000 1.182 42 Y CB -0.449 38.087 38.460 0.127 0.000 0.983 42 Y HN 0.409 8.689 8.280 0.000 0.000 0.524 43 Q N -0.354 119.547 119.800 0.167 0.000 2.096 43 Q HA -0.234 4.107 4.340 0.001 0.000 0.204 43 Q C 1.848 177.881 176.000 0.055 0.000 0.982 43 Q CA 1.548 57.417 55.803 0.111 0.000 0.850 43 Q CB -0.134 28.656 28.738 0.087 0.000 0.901 43 Q HN 0.232 8.502 8.270 0.000 0.000 0.422 44 R N -0.925 119.571 120.500 -0.006 0.000 2.320 44 R HA 0.078 4.419 4.340 0.001 0.000 0.211 44 R C 0.620 176.903 176.300 -0.028 0.000 0.931 44 R CA 0.684 56.759 56.100 -0.041 0.000 1.071 44 R CB 0.133 30.371 30.300 -0.104 0.000 1.025 44 R HN 0.411 8.681 8.270 0.000 0.000 0.495 45 G N 0.500 109.324 108.800 0.039 0.000 2.198 45 G HA2 -0.270 3.691 3.960 0.001 0.000 0.257 45 G HA3 -0.270 3.691 3.960 0.001 0.000 0.257 45 G C -0.029 174.935 174.900 0.107 0.000 1.042 45 G CA 0.185 45.395 45.100 0.182 0.000 0.791 45 G HN 0.283 8.573 8.290 0.000 0.000 0.502 46 I N -0.372 120.139 120.570 -0.098 0.000 2.740 46 I HA 0.834 5.004 4.170 0.001 0.000 0.303 46 I C 0.072 176.065 176.117 -0.207 0.000 1.044 46 I CA -1.524 59.650 61.300 -0.210 0.000 1.064 46 I CB 1.798 39.529 38.000 -0.448 0.000 1.249 46 I HN 0.193 8.403 8.210 0.000 0.000 0.433 47 F N 4.191 124.126 119.950 -0.024 0.000 2.613 47 F HA 0.801 5.329 4.527 0.001 0.000 0.310 47 F C -3.141 172.793 175.800 0.223 0.000 1.085 47 F CA -2.825 55.154 58.000 -0.036 0.000 0.945 47 F CB 1.270 40.237 39.000 -0.054 0.000 1.298 47 F HN 0.065 8.365 8.300 0.000 0.000 0.455 48 P HA 0.309 4.729 4.420 0.000 0.000 0.286 48 P C -1.816 175.647 177.300 0.272 0.000 1.261 48 P CA -0.031 63.062 63.100 -0.012 0.000 0.821 48 P CB 1.815 33.225 31.700 -0.483 0.000 1.013 49 W N 5.751 127.068 121.300 0.029 0.000 4.000 49 W HA 0.509 5.170 4.660 0.001 0.000 0.302 49 W C -2.258 174.245 176.519 -0.026 0.000 1.206 49 W CA -0.265 56.739 57.345 -0.568 0.000 1.286 49 W CB 0.974 30.010 29.460 -0.707 0.000 1.234 49 W HN 0.427 8.607 8.180 0.000 0.000 0.477 50 F N 2.998 122.347 119.950 -1.001 0.000 2.746 50 F HA 0.629 5.157 4.527 0.001 0.000 0.311 50 F C -0.557 174.889 175.800 -0.590 0.000 1.135 50 F CA -0.990 56.667 58.000 -0.572 0.000 0.954 50 F CB 0.234 39.180 39.000 -0.090 0.000 1.276 50 F HN 0.274 8.574 8.300 0.000 0.000 0.440 51 S N 0.524 116.069 115.700 -0.258 0.000 2.603 51 S HA 0.688 5.159 4.470 0.001 0.000 0.268 51 S C -2.868 171.777 174.600 0.074 0.000 1.317 51 S CA -1.258 56.861 58.200 -0.136 0.000 1.012 51 S CB 0.857 64.051 63.200 -0.011 0.000 0.926 51 S HN 0.546 8.856 8.310 0.000 0.000 0.539 52 P HA 0.260 4.680 4.420 0.000 0.000 0.264 52 P C 1.052 178.410 177.300 0.097 0.000 1.193 52 P CA 1.354 64.498 63.100 0.073 0.000 0.763 52 P CB 0.206 31.912 31.700 0.009 0.000 0.810 53 G N 1.725 110.594 108.800 0.115 0.000 2.213 53 G HA2 -0.178 3.783 3.960 0.001 0.000 0.236 53 G HA3 -0.178 3.783 3.960 0.001 0.000 0.236 53 G C 0.035 174.982 174.900 0.078 0.000 0.991 53 G CA -0.255 44.893 45.100 0.079 0.000 0.629 53 G HN 0.501 8.791 8.290 0.000 0.000 0.517 54 D N 1.770 122.245 120.400 0.126 0.000 2.277 54 D HA 0.574 5.214 4.640 0.001 0.000 0.250 54 D C -1.646 174.620 176.300 -0.057 0.000 1.032 54 D CA -1.149 52.899 54.000 0.080 0.000 0.947 54 D CB 1.509 42.405 40.800 0.160 0.000 1.159 54 D HN 0.184 8.554 8.370 0.000 0.000 0.460 55 P HA 0.238 4.658 4.420 0.000 0.000 0.276 55 P C 0.088 177.032 177.300 -0.595 0.000 1.244 55 P CA -0.404 62.543 63.100 -0.255 0.000 0.801 55 P CB 0.822 32.446 31.700 -0.127 0.000 1.006 56 I N 0.872 120.960 120.570 -0.803 0.000 2.826 56 I HA -0.052 4.119 4.170 0.001 0.000 0.295 56 I C 0.622 176.398 176.117 -0.569 0.000 1.213 56 I CA 0.635 61.214 61.300 -1.202 0.000 1.436 56 I CB -0.363 37.279 38.000 -0.597 0.000 1.348 56 I HN 0.077 8.287 8.210 0.000 0.000 0.570 57 L N 6.159 127.148 121.223 -0.389 0.000 2.346 57 L HA 0.455 4.796 4.340 0.001 0.000 0.276 57 L C -1.175 175.590 176.870 -0.175 0.000 1.006 57 L CA -0.648 54.136 54.840 -0.094 0.000 0.817 57 L CB 1.610 43.822 42.059 0.256 0.000 1.272 57 L HN 0.531 8.761 8.230 0.000 0.000 0.421 58 W N 1.385 122.643 121.300 -0.069 0.000 2.573 58 W HA 0.550 5.211 4.660 0.001 0.000 0.326 58 W C -0.984 175.316 176.519 -0.365 0.000 1.049 58 W CA -0.227 57.095 57.345 -0.038 0.000 1.220 58 W CB 1.387 30.878 29.460 0.051 0.000 1.373 58 W HN 0.296 8.476 8.180 0.000 0.000 0.507 59 W N 0.823 121.922 121.300 -0.335 0.000 2.962 59 W HA 0.617 5.277 4.660 0.001 0.000 0.341 59 W C -0.210 175.910 176.519 -0.665 0.000 1.155 59 W CA -1.343 55.675 57.345 -0.546 0.000 1.165 59 W CB 1.908 30.925 29.460 -0.737 0.000 1.435 59 W HN 0.112 8.292 8.180 0.000 0.000 0.546 60 S N 2.801 118.447 115.700 -0.089 0.000 2.592 60 S HA 0.289 4.759 4.470 0.001 0.000 0.151 60 S C -2.678 171.962 174.600 0.067 0.000 1.280 60 S CA -0.961 57.226 58.200 -0.023 0.000 1.187 60 S CB 0.019 63.213 63.200 -0.011 0.000 1.471 60 S HN 0.185 8.495 8.310 0.000 0.000 0.409 61 P HA 0.324 4.744 4.420 0.000 0.000 0.271 61 P C -1.004 176.341 177.300 0.074 0.000 1.233 61 P CA 0.052 63.213 63.100 0.101 0.000 0.789 61 P CB 0.605 32.358 31.700 0.088 0.000 0.951 62 D N 1.008 121.443 120.400 0.059 0.000 2.736 62 D HA 0.316 4.956 4.640 0.001 0.000 0.243 62 D C -2.253 174.070 176.300 0.038 0.000 1.304 62 D CA -2.085 51.947 54.000 0.054 0.000 0.934 62 D CB 1.379 42.212 40.800 0.055 0.000 1.382 62 D HN 0.168 8.538 8.370 0.000 0.000 0.571 63 P HA 0.294 4.714 4.420 0.000 0.000 0.288 63 P C -0.488 176.825 177.300 0.020 0.000 1.291 63 P CA -0.507 62.618 63.100 0.041 0.000 0.766 63 P CB 0.958 32.681 31.700 0.038 0.000 1.242 64 R N -1.096 119.408 120.500 0.007 0.000 2.686 64 R HA 0.649 4.990 4.340 0.001 0.000 0.286 64 R C -1.024 175.210 176.300 -0.109 0.000 0.969 64 R CA -0.760 55.291 56.100 -0.082 0.000 0.898 64 R CB 1.181 31.379 30.300 -0.170 0.000 1.183 64 R HN 0.577 8.847 8.270 0.000 0.000 0.456 65 A N 2.783 125.506 122.820 -0.161 0.000 2.401 65 A HA 0.627 4.948 4.320 0.001 0.000 0.259 65 A C -0.811 176.658 177.584 -0.192 0.000 1.103 65 A CA -0.294 51.653 52.037 -0.151 0.000 0.789 65 A CB 0.723 19.622 19.000 -0.168 0.000 1.035 65 A HN 0.477 8.627 8.150 0.000 0.000 0.491 66 V N 2.000 121.821 119.914 -0.155 0.000 3.178 66 V HA 0.564 4.684 4.120 0.001 0.000 0.302 66 V C -1.476 174.496 176.094 -0.204 0.000 1.262 66 V CA -0.535 61.636 62.300 -0.215 0.000 1.030 66 V CB 2.199 33.865 31.823 -0.262 0.000 1.074 66 V HN 0.983 9.173 8.190 0.000 0.000 0.438 67 L N 2.413 123.487 121.223 -0.248 0.000 2.441 67 L HA 0.636 4.977 4.340 0.001 0.000 0.270 67 L C -1.632 175.145 176.870 -0.156 0.000 0.973 67 L CA -0.120 54.642 54.840 -0.131 0.000 0.842 67 L CB 1.611 43.648 42.059 -0.037 0.000 1.239 67 L HN 0.672 8.902 8.230 0.000 0.000 0.406 68 W N 7.568 128.897 121.300 0.048 0.000 2.388 68 W HA 0.359 5.020 4.660 0.001 0.000 0.308 68 W C -1.332 175.229 176.519 0.070 0.000 1.263 68 W CA -1.219 56.153 57.345 0.046 0.000 1.286 68 W CB 0.610 30.077 29.460 0.012 0.000 1.294 68 W HN 0.528 8.708 8.180 0.000 0.000 0.493 69 P HA -0.305 4.115 4.420 0.000 0.000 0.218 69 P C 0.952 178.355 177.300 0.173 0.000 1.154 69 P CA 2.069 65.314 63.100 0.241 0.000 0.872 69 P CB 0.363 32.235 31.700 0.285 0.000 0.790 70 E N -1.222 119.079 120.200 0.168 0.000 2.274 70 E HA -0.029 4.322 4.350 0.001 0.000 0.194 70 E C 1.408 178.067 176.600 0.098 0.000 0.996 70 E CA 0.827 57.287 56.400 0.100 0.000 0.840 70 E CB -0.971 28.767 29.700 0.063 0.000 0.772 70 E HN 0.165 8.525 8.360 0.000 0.000 0.491 71 S N 0.623 116.414 115.700 0.151 0.000 2.660 71 S HA 0.146 4.616 4.470 0.001 0.000 0.227 71 S C 0.261 174.936 174.600 0.125 0.000 0.948 71 S CA -0.496 57.786 58.200 0.137 0.000 0.948 71 S CB -0.250 63.061 63.200 0.186 0.000 0.779 71 S HN 0.167 8.477 8.310 0.000 0.000 0.487 72 L N 3.864 125.147 121.223 0.099 0.000 2.534 72 L HA 0.121 4.462 4.340 0.001 0.000 0.271 72 L C 0.221 177.122 176.870 0.052 0.000 1.178 72 L CA 0.371 55.252 54.840 0.069 0.000 0.907 72 L CB -0.113 41.971 42.059 0.042 0.000 1.164 72 L HN 0.243 8.473 8.230 0.000 0.000 0.482 73 H N 6.891 125.956 119.070 -0.007 0.000 2.690 73 H HA 0.283 4.840 4.556 0.001 0.000 0.314 73 H C -1.038 174.275 175.328 -0.024 0.000 1.069 73 H CA -0.485 55.556 56.048 -0.012 0.000 1.436 73 H CB 0.831 30.584 29.762 -0.014 0.000 1.462 73 H HN 0.493 8.773 8.280 0.000 0.000 0.511 74 I N 5.374 125.554 120.570 -0.651 0.000 2.439 74 I HA 0.009 4.180 4.170 0.001 0.000 0.283 74 I C 0.777 176.623 176.117 -0.452 0.000 1.023 74 I CA -0.571 60.496 61.300 -0.389 0.000 1.100 74 I CB 1.037 38.913 38.000 -0.205 0.000 1.238 74 I HN 0.557 8.767 8.210 0.000 0.000 0.445 75 S N 6.199 121.769 115.700 -0.216 0.000 2.569 75 S HA 0.090 4.560 4.470 0.001 0.000 0.274 75 S C 1.352 175.928 174.600 -0.040 0.000 1.353 75 S CA -0.238 57.935 58.200 -0.045 0.000 1.023 75 S CB 0.749 63.982 63.200 0.056 0.000 0.876 75 S HN 0.747 9.057 8.310 0.000 0.000 0.540 76 R N 0.901 121.403 120.500 0.002 0.000 2.148 76 R HA -0.020 4.321 4.340 0.001 0.000 0.223 76 R C 2.113 178.435 176.300 0.037 0.000 1.088 76 R CA 1.317 57.425 56.100 0.014 0.000 0.985 76 R CB -0.905 29.409 30.300 0.023 0.000 0.880 76 R HN 0.746 9.016 8.270 0.000 0.000 0.451 77 S N 0.247 115.974 115.700 0.044 0.000 2.461 77 S HA -0.057 4.414 4.470 0.001 0.000 0.228 77 S C 1.880 176.540 174.600 0.101 0.000 1.005 77 S CA 0.626 58.866 58.200 0.067 0.000 0.942 77 S CB 0.014 63.246 63.200 0.053 0.000 0.776 77 S HN 0.309 8.619 8.310 0.000 0.000 0.514 78 M N 1.714 121.352 119.600 0.063 0.000 2.236 78 M HA 0.270 4.751 4.480 0.001 0.000 0.266 78 M C 1.751 178.146 176.300 0.159 0.000 1.070 78 M CA 1.452 56.797 55.300 0.076 0.000 1.137 78 M CB -0.487 32.105 32.600 -0.013 0.000 1.378 78 M HN 0.177 8.467 8.290 0.000 0.000 0.426 79 K N -0.603 119.857 120.400 0.100 0.000 2.057 79 K HA -0.064 4.256 4.320 0.001 0.000 0.206 79 K C 2.180 178.866 176.600 0.142 0.000 1.050 79 K CA 1.325 57.681 56.287 0.116 0.000 0.935 79 K CB -0.200 32.334 32.500 0.057 0.000 0.715 79 K HN 0.323 8.573 8.250 0.000 0.000 0.439 80 R N -0.069 120.504 120.500 0.121 0.000 2.083 80 R HA -0.154 4.187 4.340 0.001 0.000 0.237 80 R C 2.251 178.624 176.300 0.122 0.000 1.137 80 R CA 1.734 57.893 56.100 0.099 0.000 0.951 80 R CB -0.459 29.894 30.300 0.089 0.000 0.851 80 R HN 0.182 8.452 8.270 0.000 0.000 0.434 81 F N 0.684 120.656 119.950 0.038 0.000 2.069 81 F HA -0.287 4.241 4.527 0.001 0.000 0.298 81 F C 2.514 178.355 175.800 0.069 0.000 1.113 81 F CA 2.175 60.198 58.000 0.038 0.000 1.214 81 F CB -0.387 38.638 39.000 0.042 0.000 0.978 81 F HN 0.098 8.398 8.300 0.000 0.000 0.474 82 H N 0.519 119.715 119.070 0.210 0.000 2.387 82 H HA -0.152 4.404 4.556 0.001 0.000 0.299 82 H C 2.301 177.647 175.328 0.031 0.000 1.090 82 H CA 2.149 58.249 56.048 0.086 0.000 1.332 82 H CB -0.394 29.397 29.762 0.048 0.000 1.386 82 H HN 0.303 8.583 8.280 0.000 0.000 0.516 83 K N 0.254 120.642 120.400 -0.019 0.000 2.160 83 K HA -0.129 4.191 4.320 0.001 0.000 0.206 83 K C 0.631 177.173 176.600 -0.097 0.000 1.047 83 K CA 1.497 57.746 56.287 -0.063 0.000 0.930 83 K CB 0.102 32.597 32.500 -0.008 0.000 0.720 83 K HN 0.269 8.519 8.250 0.000 0.000 0.450 84 R N 0.494 120.909 120.500 -0.141 0.000 2.748 84 R HA 0.143 4.483 4.340 0.001 0.000 0.395 84 R C -0.511 175.607 176.300 -0.303 0.000 1.128 84 R CA -0.256 55.735 56.100 -0.181 0.000 1.042 84 R CB 1.229 31.426 30.300 -0.172 0.000 1.392 84 R HN -0.022 8.248 8.270 0.000 0.000 0.582 85 S N 2.120 117.675 115.700 -0.242 0.000 2.558 85 S HA 0.068 4.539 4.470 0.001 0.000 0.288 85 S C -1.382 173.082 174.600 -0.228 0.000 1.318 85 S CA -0.785 57.254 58.200 -0.270 0.000 1.056 85 S CB 0.588 63.859 63.200 0.119 0.000 0.853 85 S HN 0.246 8.556 8.310 0.000 0.000 0.505 86 P HA 0.228 4.648 4.420 0.000 0.000 0.272 86 P C -0.972 176.212 177.300 -0.193 0.000 1.408 86 P CA -0.020 62.868 63.100 -0.354 0.000 0.996 86 P CB -0.124 31.268 31.700 -0.513 0.000 1.481 87 Y N -0.088 120.333 120.300 0.202 0.000 2.549 87 Y HA 0.567 5.118 4.550 0.001 0.000 0.339 87 Y C 0.845 176.957 175.900 0.353 0.000 1.053 87 Y CA -1.365 56.890 58.100 0.258 0.000 1.105 87 Y CB 2.370 40.976 38.460 0.242 0.000 1.258 87 Y HN -0.326 7.954 8.280 0.000 0.000 0.478 88 R N 1.489 122.302 120.500 0.522 0.000 2.437 88 R HA 0.668 5.009 4.340 0.001 0.000 0.310 88 R C -2.119 174.452 176.300 0.452 0.000 0.955 88 R CA -0.554 55.806 56.100 0.433 0.000 0.851 88 R CB 1.294 31.773 30.300 0.299 0.000 1.161 88 R HN 0.547 8.817 8.270 0.000 0.000 0.446 89 V N 4.127 124.281 119.914 0.400 0.000 2.435 89 V HA 0.460 4.580 4.120 0.001 0.000 0.290 89 V C 0.119 176.305 176.094 0.154 0.000 1.030 89 V CA -0.472 61.973 62.300 0.242 0.000 0.881 89 V CB 1.630 33.572 31.823 0.198 0.000 0.983 89 V HN 1.004 9.194 8.190 0.000 0.000 0.445 90 T N 2.240 116.847 114.554 0.089 0.000 2.916 90 T HA 0.767 5.118 4.350 0.001 0.000 0.292 90 T C -0.661 174.047 174.700 0.013 0.000 1.064 90 T CA -0.800 61.242 62.100 -0.096 0.000 1.011 90 T CB 2.117 70.659 68.868 -0.542 0.000 1.152 90 T HN 0.572 8.812 8.240 0.000 0.000 0.510 91 M N 2.153 121.781 119.600 0.047 0.000 2.311 91 M HA 0.401 4.882 4.480 0.001 0.000 0.325 91 M C -0.427 176.084 176.300 0.352 0.000 1.061 91 M CA -0.306 55.104 55.300 0.183 0.000 0.957 91 M CB 0.845 33.505 32.600 0.100 0.000 1.646 91 M HN 0.880 9.170 8.290 0.000 0.000 0.434 92 N N 2.931 121.868 118.700 0.395 0.000 2.708 92 N HA -0.253 4.488 4.740 0.001 0.000 0.249 92 N C -0.297 175.512 175.510 0.499 0.000 1.097 92 N CA 1.011 54.339 53.050 0.463 0.000 0.710 92 N CB -1.272 37.517 38.487 0.502 0.000 1.032 92 N HN 0.691 9.071 8.380 0.000 0.000 0.551 93 Y N -0.541 119.925 120.300 0.277 0.000 2.314 93 Y HA 0.242 4.792 4.550 0.001 0.000 0.294 93 Y C 1.662 177.734 175.900 0.286 0.000 1.119 93 Y CA 1.321 59.594 58.100 0.288 0.000 1.179 93 Y CB 0.446 39.140 38.460 0.389 0.000 1.025 93 Y HN 0.259 8.539 8.280 0.000 0.000 0.541 94 A N -1.504 121.568 122.820 0.419 0.000 3.415 94 A HA 0.207 4.528 4.320 0.001 0.000 0.244 94 A C 0.600 178.230 177.584 0.076 0.000 0.988 94 A CA -0.554 51.640 52.037 0.262 0.000 0.991 94 A CB -1.377 17.825 19.000 0.336 0.000 1.240 94 A HN 0.315 8.465 8.150 0.000 0.000 0.541 95 F N 1.218 121.070 119.950 -0.164 0.000 2.087 95 F HA -0.163 4.365 4.527 0.001 0.000 0.299 95 F C 2.055 177.595 175.800 -0.433 0.000 1.100 95 F CA 2.899 60.641 58.000 -0.431 0.000 1.226 95 F CB -0.097 38.258 39.000 -1.075 0.000 0.983 95 F HN 0.417 8.717 8.300 0.000 0.000 0.479 96 G N -0.988 107.702 108.800 -0.184 0.000 2.422 96 G HA2 -0.258 3.702 3.960 0.001 0.000 0.218 96 G HA3 -0.258 3.702 3.960 0.001 0.000 0.218 96 G C 1.494 176.266 174.900 -0.215 0.000 1.146 96 G CA 0.816 45.817 45.100 -0.165 0.000 0.769 96 G HN 0.469 8.759 8.290 0.000 0.000 0.547 97 Q N -0.558 119.150 119.800 -0.153 0.000 2.187 97 Q HA 0.058 4.398 4.340 0.001 0.000 0.199 97 Q C 2.820 178.644 176.000 -0.293 0.000 0.957 97 Q CA 0.607 56.313 55.803 -0.161 0.000 0.857 97 Q CB 0.047 28.763 28.738 -0.036 0.000 0.929 97 Q HN 0.390 8.660 8.270 0.000 0.000 0.453 98 V N 1.033 120.754 119.914 -0.321 0.000 2.270 98 V HA -0.256 3.865 4.120 0.001 0.000 0.245 98 V C 2.110 177.917 176.094 -0.479 0.000 1.043 98 V CA 1.592 63.727 62.300 -0.275 0.000 1.014 98 V CB -0.388 31.328 31.823 -0.178 0.000 0.645 98 V HN 0.410 8.600 8.190 0.000 0.000 0.447 99 I N -0.137 119.960 120.570 -0.787 0.000 2.264 99 I HA -0.282 3.888 4.170 0.001 0.000 0.248 99 I C 2.482 178.265 176.117 -0.557 0.000 1.111 99 I CA 1.748 62.519 61.300 -0.882 0.000 1.382 99 I CB 0.057 37.243 38.000 -1.355 0.000 1.060 99 I HN 0.353 8.563 8.210 0.000 0.000 0.418 100 E N 0.573 120.478 120.200 -0.491 0.000 2.106 100 E HA -0.136 4.214 4.350 0.001 0.000 0.192 100 E C 2.026 178.331 176.600 -0.492 0.000 0.984 100 E CA 1.333 57.499 56.400 -0.391 0.000 0.806 100 E CB -0.489 29.041 29.700 -0.282 0.000 0.750 100 E HN 0.609 8.969 8.360 0.000 0.000 0.458 101 G N -0.189 108.164 108.800 -0.745 0.000 2.421 101 G HA2 -0.296 3.665 3.960 0.001 0.000 0.216 101 G HA3 -0.296 3.665 3.960 0.001 0.000 0.216 101 G C 1.773 176.063 174.900 -1.016 0.000 1.171 101 G CA 1.063 45.387 45.100 -1.293 0.000 0.775 101 G HN 0.383 8.673 8.290 0.000 0.000 0.543 102 C N 1.092 119.977 119.300 -0.693 0.000 2.429 102 C HA 0.189 4.650 4.460 0.001 0.000 0.277 102 C C 3.454 178.295 174.990 -0.249 0.000 1.262 102 C CA 0.621 59.484 59.018 -0.258 0.000 1.733 102 C CB -1.006 26.710 27.740 -0.040 0.000 2.010 102 C HN 0.548 8.778 8.230 0.000 0.000 0.483 103 A N 0.147 122.777 122.820 -0.318 0.000 2.225 103 A HA -0.061 4.260 4.320 0.001 0.000 0.215 103 A C 2.047 179.487 177.584 -0.239 0.000 1.164 103 A CA 1.790 53.645 52.037 -0.303 0.000 0.710 103 A CB -0.346 18.457 19.000 -0.328 0.000 0.780 103 A HN 0.599 8.749 8.150 0.000 0.000 0.473 104 S N -1.244 114.312 115.700 -0.240 0.000 2.540 104 S HA 0.030 4.501 4.470 0.001 0.000 0.222 104 S C 1.117 175.644 174.600 -0.122 0.000 1.008 104 S CA 0.281 58.374 58.200 -0.177 0.000 0.939 104 S CB 0.007 63.090 63.200 -0.195 0.000 0.865 104 S HN 0.653 8.963 8.310 0.000 0.000 0.499 105 D N 1.966 122.299 120.400 -0.111 0.000 2.357 105 D HA -0.104 4.536 4.640 0.001 0.000 0.216 105 D C 1.219 177.500 176.300 -0.033 0.000 0.973 105 D CA 0.704 54.677 54.000 -0.045 0.000 0.912 105 D CB -0.102 40.690 40.800 -0.014 0.000 0.900 105 D HN 0.183 8.553 8.370 0.000 0.000 0.501 106 R N -1.073 119.401 120.500 -0.043 0.000 3.988 106 R HA -0.347 3.993 4.340 0.001 0.000 0.354 106 R C 1.433 177.731 176.300 -0.003 0.000 1.236 106 R CA 1.567 57.651 56.100 -0.026 0.000 1.253 106 R CB -1.249 29.033 30.300 -0.030 0.000 1.716 106 R HN 0.449 8.719 8.270 0.000 0.000 0.579 107 E N 0.505 120.707 120.200 0.003 0.000 2.072 107 E HA -0.119 4.232 4.350 0.001 0.000 0.190 107 E C 0.778 177.404 176.600 0.042 0.000 0.982 107 E CA 1.252 57.659 56.400 0.012 0.000 0.803 107 E CB 0.237 29.938 29.700 0.001 0.000 0.755 107 E HN 0.399 8.759 8.360 0.000 0.000 0.453 108 E N -2.009 118.230 120.200 0.065 0.000 3.733 108 E HA 0.068 4.418 4.350 0.001 0.000 0.172 108 E C -0.026 176.691 176.600 0.195 0.000 1.032 108 E CA 0.207 56.693 56.400 0.143 0.000 1.532 108 E CB 0.318 30.135 29.700 0.195 0.000 1.149 108 E HN 0.255 8.615 8.360 0.000 0.000 0.373 109 G N -0.084 108.750 108.800 0.057 0.000 3.088 109 G HA2 -0.073 3.888 3.960 0.001 0.000 0.217 109 G HA3 -0.073 3.888 3.960 0.001 0.000 0.217 109 G C 1.290 176.098 174.900 -0.153 0.000 1.159 109 G CA 0.787 45.859 45.100 -0.047 0.000 0.760 109 G HN 0.304 8.594 8.290 0.000 0.000 0.550 110 T N -1.676 112.847 114.554 -0.052 0.000 3.051 110 T HA -0.145 4.205 4.350 0.001 0.000 0.269 110 T C 1.972 176.601 174.700 -0.118 0.000 1.127 110 T CA 0.854 62.905 62.100 -0.081 0.000 1.107 110 T CB -0.412 68.445 68.868 -0.018 0.000 0.898 110 T HN 0.663 8.903 8.240 0.000 0.000 0.517 111 W N 1.844 122.976 121.300 -0.280 0.000 2.770 111 W HA 0.320 4.981 4.660 0.001 0.000 0.256 111 W C 0.032 176.254 176.519 -0.494 0.000 1.291 111 W CA -0.550 56.484 57.345 -0.518 0.000 1.396 111 W CB -0.453 28.480 29.460 -0.879 0.000 1.114 111 W HN 0.149 8.329 8.180 0.000 0.000 0.637 112 I N 4.691 124.596 120.570 -1.109 0.000 2.352 112 I HA -0.027 4.144 4.170 0.001 0.000 0.303 112 I C 0.832 176.607 176.117 -0.570 0.000 1.194 112 I CA 0.293 60.921 61.300 -1.120 0.000 1.518 112 I CB -0.500 36.960 38.000 -0.899 0.000 1.489 112 I HN -0.167 8.043 8.210 0.000 0.000 0.702 113 T N 0.670 114.954 114.554 -0.450 0.000 2.849 113 T HA 0.214 4.564 4.350 0.001 0.000 0.284 113 T C 1.201 175.804 174.700 -0.160 0.000 1.004 113 T CA -0.752 61.212 62.100 -0.227 0.000 1.021 113 T CB 1.698 70.495 68.868 -0.118 0.000 1.013 113 T HN 0.453 8.693 8.240 0.000 0.000 0.527 114 R N 1.264 121.706 120.500 -0.097 0.000 2.140 114 R HA -0.122 4.219 4.340 0.001 0.000 0.250 114 R C 2.503 178.791 176.300 -0.020 0.000 1.150 114 R CA 2.373 58.438 56.100 -0.059 0.000 0.966 114 R CB -1.306 28.972 30.300 -0.036 0.000 0.869 114 R HN 0.911 9.181 8.270 0.000 0.000 0.445 115 G N -1.071 107.734 108.800 0.008 0.000 2.418 115 G HA2 -0.193 3.767 3.960 0.001 0.000 0.217 115 G HA3 -0.193 3.767 3.960 0.001 0.000 0.217 115 G C 1.403 176.354 174.900 0.085 0.000 1.158 115 G CA 0.895 46.032 45.100 0.061 0.000 0.771 115 G HN 0.262 8.552 8.290 0.000 0.000 0.545 116 V N 0.506 120.439 119.914 0.031 0.000 2.358 116 V HA -0.144 3.977 4.120 0.001 0.000 0.246 116 V C 3.017 179.171 176.094 0.101 0.000 1.047 116 V CA 1.320 63.652 62.300 0.054 0.000 1.035 116 V CB -0.240 31.409 31.823 -0.289 0.000 0.658 116 V HN 0.243 8.433 8.190 0.000 0.000 0.452 117 V N 0.175 120.069 119.914 -0.033 0.000 2.287 117 V HA -0.285 3.835 4.120 0.001 0.000 0.248 117 V C 2.403 178.591 176.094 0.157 0.000 1.053 117 V CA 2.203 64.498 62.300 -0.009 0.000 1.027 117 V CB -0.699 31.080 31.823 -0.074 0.000 0.646 117 V HN 0.634 8.824 8.190 0.000 0.000 0.447 118 E N 0.249 120.525 120.200 0.127 0.000 2.150 118 E HA -0.140 4.211 4.350 0.001 0.000 0.193 118 E C 2.321 179.025 176.600 0.174 0.000 0.985 118 E CA 1.121 57.607 56.400 0.143 0.000 0.814 118 E CB -0.325 29.413 29.700 0.064 0.000 0.752 118 E HN 0.613 8.973 8.360 0.000 0.000 0.466 119 A N 0.879 123.797 122.820 0.164 0.000 1.858 119 A HA -0.191 4.130 4.320 0.001 0.000 0.216 119 A C 1.698 179.313 177.584 0.051 0.000 1.190 119 A CA 1.338 53.439 52.037 0.107 0.000 0.617 119 A CB -0.799 18.272 19.000 0.119 0.000 0.827 119 A HN 0.272 8.422 8.150 0.000 0.000 0.443 120 Y N -1.413 118.976 120.300 0.149 0.000 2.583 120 Y HA -0.042 4.508 4.550 0.001 0.000 0.293 120 Y C 2.367 178.342 175.900 0.125 0.000 1.157 120 Y CA 0.855 59.051 58.100 0.160 0.000 1.315 120 Y CB -0.249 38.342 38.460 0.218 0.000 1.021 120 Y HN 0.459 8.739 8.280 0.000 0.000 0.536 121 H N 0.276 119.481 119.070 0.223 0.000 2.363 121 H HA -0.006 4.551 4.556 0.001 0.000 0.301 121 H C 1.985 177.328 175.328 0.024 0.000 1.074 121 H CA 1.318 57.459 56.048 0.154 0.000 1.354 121 H CB 0.337 30.181 29.762 0.136 0.000 1.397 121 H HN 0.299 8.579 8.280 0.000 0.000 0.516 122 R N 0.075 120.672 120.500 0.161 0.000 2.081 122 R HA -0.078 4.263 4.340 0.001 0.000 0.235 122 R C 2.586 178.885 176.300 -0.001 0.000 1.131 122 R CA 0.909 57.046 56.100 0.063 0.000 0.960 122 R CB -0.198 30.127 30.300 0.042 0.000 0.856 122 R HN 0.262 8.532 8.270 0.000 0.000 0.436 123 L N -0.455 120.746 121.223 -0.036 0.000 2.201 123 L HA -0.184 4.157 4.340 0.001 0.000 0.212 123 L C 2.493 179.266 176.870 -0.162 0.000 1.105 123 L CA 1.263 56.064 54.840 -0.065 0.000 0.775 123 L CB -0.490 41.507 42.059 -0.104 0.000 0.913 123 L HN 0.293 8.523 8.230 0.000 0.000 0.440 124 H N 0.340 119.156 119.070 -0.422 0.000 2.363 124 H HA -0.107 4.449 4.556 0.001 0.000 0.301 124 H C 2.076 177.200 175.328 -0.340 0.000 1.074 124 H CA 1.561 57.201 56.048 -0.681 0.000 1.354 124 H CB 0.205 29.128 29.762 -1.397 0.000 1.397 124 H HN 0.283 8.563 8.280 0.000 0.000 0.516 125 E N 0.354 120.377 120.200 -0.295 0.000 2.051 125 E HA -0.124 4.226 4.350 0.001 0.000 0.192 125 E C 2.164 178.654 176.600 -0.183 0.000 0.991 125 E CA 1.233 57.498 56.400 -0.225 0.000 0.799 125 E CB -0.065 29.608 29.700 -0.045 0.000 0.748 125 E HN 0.488 8.848 8.360 0.000 0.000 0.449 126 L N -0.110 121.053 121.223 -0.100 0.000 2.456 126 L HA -0.005 4.336 4.340 0.001 0.000 0.224 126 L C 1.470 178.270 176.870 -0.116 0.000 1.148 126 L CA 0.685 55.512 54.840 -0.021 0.000 0.825 126 L CB -0.422 41.713 42.059 0.126 0.000 0.937 126 L HN 0.358 8.588 8.230 0.000 0.000 0.450 127 G N -0.807 107.847 108.800 -0.243 0.000 2.131 127 G HA2 -0.278 3.682 3.960 0.001 0.000 0.223 127 G HA3 -0.278 3.682 3.960 0.001 0.000 0.223 127 G C 0.340 174.968 174.900 -0.454 0.000 0.990 127 G CA 0.395 45.311 45.100 -0.306 0.000 0.671 127 G HN 0.493 8.783 8.290 0.000 0.000 0.521 128 H N -0.154 118.723 119.070 -0.322 0.000 2.506 128 H HA 0.606 5.163 4.556 0.001 0.000 0.289 128 H C 1.833 176.789 175.328 -0.620 0.000 1.009 128 H CA 1.025 56.889 56.048 -0.307 0.000 1.303 128 H CB 0.526 30.190 29.762 -0.163 0.000 1.453 128 H HN 0.684 8.964 8.280 0.000 0.000 0.526 129 A N 1.245 123.728 122.820 -0.562 0.000 2.306 129 A HA 0.467 4.788 4.320 0.001 0.000 0.314 129 A C -0.686 176.401 177.584 -0.829 0.000 1.164 129 A CA -0.430 51.315 52.037 -0.486 0.000 0.822 129 A CB 0.532 19.426 19.000 -0.177 0.000 1.130 129 A HN 0.361 8.511 8.150 0.000 0.000 0.496 130 H N 0.087 119.248 119.070 0.151 0.000 2.949 130 H HA 0.726 5.282 4.556 0.001 0.000 0.356 130 H C -0.631 175.001 175.328 0.506 0.000 1.212 130 H CA -0.189 56.002 56.048 0.237 0.000 1.136 130 H CB 2.059 31.754 29.762 -0.113 0.000 1.869 130 H HN 0.832 9.112 8.280 0.000 0.000 0.556 131 S N 0.707 116.742 115.700 0.558 0.000 2.546 131 S HA 0.602 5.073 4.470 0.001 0.000 0.274 131 S C -1.124 173.617 174.600 0.237 0.000 1.121 131 S CA -0.766 57.655 58.200 0.368 0.000 0.887 131 S CB 1.647 64.993 63.200 0.243 0.000 1.094 131 S HN 0.300 8.610 8.310 0.000 0.000 0.474 132 I N 1.999 122.625 120.570 0.093 0.000 2.389 132 I HA 0.501 4.672 4.170 0.001 0.000 0.288 132 I C -0.518 175.567 176.117 -0.053 0.000 0.999 132 I CA -0.306 61.012 61.300 0.031 0.000 1.129 132 I CB 1.565 39.537 38.000 -0.047 0.000 1.288 132 I HN 0.708 8.918 8.210 0.000 0.000 0.444 133 E N 4.529 124.686 120.200 -0.072 0.000 2.204 133 E HA 0.635 4.986 4.350 0.001 0.000 0.276 133 E C -1.038 175.321 176.600 -0.402 0.000 0.974 133 E CA -0.565 55.653 56.400 -0.304 0.000 0.815 133 E CB 1.957 31.443 29.700 -0.358 0.000 1.119 133 E HN 0.222 8.582 8.360 0.000 0.000 0.393 134 V N 3.268 122.825 119.914 -0.595 0.000 2.409 134 V HA 0.422 4.543 4.120 0.001 0.000 0.291 134 V C -1.138 174.627 176.094 -0.548 0.000 1.020 134 V CA -0.790 61.237 62.300 -0.454 0.000 0.848 134 V CB 0.438 31.971 31.823 -0.484 0.000 0.990 134 V HN 0.605 8.795 8.190 0.000 0.000 0.430 135 W N 4.022 125.319 121.300 -0.005 0.000 2.606 135 W HA 0.778 5.439 4.660 0.001 0.000 0.332 135 W C 0.061 176.699 176.519 0.197 0.000 1.052 135 W CA -0.844 56.540 57.345 0.064 0.000 1.223 135 W CB 1.357 30.863 29.460 0.077 0.000 1.383 135 W HN 0.333 8.513 8.180 0.000 0.000 0.524 136 R N 3.079 123.847 120.500 0.446 0.000 2.320 136 R HA 0.231 4.572 4.340 0.001 0.000 0.319 136 R C 0.601 177.084 176.300 0.305 0.000 0.969 136 R CA -0.357 56.008 56.100 0.442 0.000 0.857 136 R CB -0.343 30.220 30.300 0.437 0.000 1.160 136 R HN 0.814 9.084 8.270 0.000 0.000 0.491 137 E N 1.892 122.236 120.200 0.239 0.000 3.287 137 E HA -0.378 3.972 4.350 0.001 0.000 0.405 137 E C -0.514 176.179 176.600 0.156 0.000 1.541 137 E CA 1.715 58.205 56.400 0.149 0.000 1.405 137 E CB -1.204 28.560 29.700 0.107 0.000 1.576 137 E HN 0.613 8.973 8.360 0.000 0.000 0.474 138 D N 1.673 122.154 120.400 0.134 0.000 2.340 138 D HA 0.202 4.843 4.640 0.001 0.000 0.217 138 D C 0.126 176.577 176.300 0.251 0.000 1.081 138 D CA 0.527 54.597 54.000 0.116 0.000 0.842 138 D CB 0.170 41.005 40.800 0.058 0.000 0.934 138 D HN 0.308 8.678 8.370 0.000 0.000 0.511 139 E N 0.216 120.608 120.200 0.321 0.000 2.191 139 E HA 0.398 4.749 4.350 0.001 0.000 0.274 139 E C -1.269 175.576 176.600 0.409 0.000 0.948 139 E CA -0.959 55.641 56.400 0.334 0.000 0.802 139 E CB 1.419 31.240 29.700 0.202 0.000 1.137 139 E HN 0.043 8.403 8.360 0.000 0.000 0.397 140 L N 5.937 127.321 121.223 0.268 0.000 2.325 140 L HA 0.211 4.552 4.340 0.001 0.000 0.284 140 L C 0.113 176.932 176.870 -0.085 0.000 1.089 140 L CA 0.154 54.887 54.840 -0.179 0.000 0.836 140 L CB 0.933 42.801 42.059 -0.318 0.000 1.184 140 L HN 0.591 8.821 8.230 0.000 0.000 0.444 141 V N 2.416 122.206 119.914 -0.206 0.000 3.319 141 V HA 0.851 4.971 4.120 0.001 0.000 0.317 141 V C 0.587 176.383 176.094 -0.495 0.000 1.411 141 V CA 0.427 62.603 62.300 -0.207 0.000 1.112 141 V CB -0.639 31.097 31.823 -0.144 0.000 1.031 141 V HN 0.921 9.111 8.190 0.000 0.000 0.448 142 G N -1.702 106.638 108.800 -0.768 0.000 2.315 142 G HA2 0.655 4.615 3.960 0.001 0.000 0.294 142 G HA3 0.655 4.615 3.960 0.001 0.000 0.294 142 G C -0.463 173.778 174.900 -1.098 0.000 1.300 142 G CA 0.304 44.533 45.100 -1.452 0.000 0.843 142 G HN 1.492 9.782 8.290 0.000 0.000 0.527 143 G N -1.427 106.817 108.800 -0.928 0.000 2.341 143 G HA2 0.698 4.658 3.960 0.001 0.000 0.293 143 G HA3 0.698 4.658 3.960 0.001 0.000 0.293 143 G C -0.919 173.886 174.900 -0.159 0.000 1.298 143 G CA 0.320 45.202 45.100 -0.363 0.000 0.868 143 G HN 1.957 10.247 8.290 0.000 0.000 0.540 144 M N -1.001 118.560 119.600 -0.065 0.000 2.534 144 M HA 0.788 5.269 4.480 0.001 0.000 0.280 144 M C -1.157 175.174 176.300 0.051 0.000 1.217 144 M CA -1.112 54.160 55.300 -0.048 0.000 0.893 144 M CB 2.262 34.773 32.600 -0.149 0.000 1.730 144 M HN 1.351 9.641 8.290 0.000 0.000 0.483 145 Y N -0.804 119.455 120.300 -0.068 0.000 2.609 145 Y HA 1.052 5.602 4.550 0.001 0.000 0.342 145 Y C -0.560 175.381 175.900 0.067 0.000 1.058 145 Y CA -0.466 57.650 58.100 0.026 0.000 1.055 145 Y CB 1.855 40.202 38.460 -0.189 0.000 1.292 145 Y HN 1.149 9.429 8.280 0.000 0.000 0.476 146 G N -0.109 108.869 108.800 0.298 0.000 2.441 146 G HA2 0.456 4.417 3.960 0.001 0.000 0.294 146 G HA3 0.456 4.417 3.960 0.001 0.000 0.294 146 G C -2.442 172.253 174.900 -0.341 0.000 1.393 146 G CA -0.810 44.127 45.100 -0.271 0.000 0.796 146 G HN 0.731 9.021 8.290 0.000 0.000 0.494 147 V N 1.207 120.730 119.914 -0.650 0.000 2.350 147 V HA 0.635 4.756 4.120 0.001 0.000 0.276 147 V C 0.926 176.740 176.094 -0.466 0.000 1.028 147 V CA -0.184 61.819 62.300 -0.494 0.000 0.860 147 V CB 0.741 32.129 31.823 -0.725 0.000 0.990 147 V HN 1.267 9.457 8.190 0.000 0.000 0.453 148 A N 4.446 127.236 122.820 -0.051 0.000 2.425 148 A HA 0.572 4.892 4.320 0.001 0.000 0.249 148 A C 0.124 177.862 177.584 0.257 0.000 1.084 148 A CA -0.110 52.127 52.037 0.334 0.000 0.781 148 A CB 0.406 19.617 19.000 0.352 0.000 1.019 148 A HN 0.863 9.013 8.150 0.000 0.000 0.490 149 Q N 1.374 121.385 119.800 0.352 0.000 3.605 149 Q HA 0.462 4.802 4.340 0.001 0.000 0.222 149 Q C 0.387 176.574 176.000 0.311 0.000 0.915 149 Q CA 0.773 56.749 55.803 0.288 0.000 0.731 149 Q CB 0.344 29.220 28.738 0.229 0.000 1.423 149 Q HN 2.086 10.356 8.270 0.000 0.000 0.446 150 G N 0.365 109.360 108.800 0.325 0.000 2.523 150 G HA2 -0.399 3.562 3.960 0.001 0.000 0.271 150 G HA3 -0.399 3.562 3.960 0.001 0.000 0.271 150 G C 0.604 175.685 174.900 0.302 0.000 1.146 150 G CA 0.388 45.649 45.100 0.268 0.000 0.961 150 G HN 0.825 9.115 8.290 0.000 0.000 0.549 151 T N -0.930 113.757 114.554 0.221 0.000 3.144 151 T HA 0.560 4.911 4.350 0.001 0.000 0.249 151 T C 0.559 175.462 174.700 0.338 0.000 1.089 151 T CA 1.221 63.419 62.100 0.164 0.000 0.989 151 T CB 0.319 69.204 68.868 0.027 0.000 0.992 151 T HN 1.253 9.493 8.240 0.000 0.000 0.540 152 L N 0.889 122.361 121.223 0.416 0.000 2.331 152 L HA 0.817 5.158 4.340 0.001 0.000 0.275 152 L C -1.492 175.731 176.870 0.587 0.000 1.022 152 L CA -1.965 53.149 54.840 0.457 0.000 0.812 152 L CB 1.617 43.853 42.059 0.296 0.000 1.257 152 L HN 0.212 8.442 8.230 0.000 0.000 0.435 153 F N 3.834 123.984 119.950 0.333 0.000 2.539 153 F HA 0.505 5.033 4.527 0.001 0.000 0.318 153 F C -0.787 175.079 175.800 0.110 0.000 1.135 153 F CA -0.792 57.335 58.000 0.212 0.000 0.915 153 F CB 1.301 40.351 39.000 0.084 0.000 1.176 153 F HN 0.497 8.797 8.300 0.000 0.000 0.440 154 C N 4.766 123.757 119.300 -0.515 0.000 2.246 154 C HA 0.634 5.095 4.460 0.001 0.000 0.329 154 C C 0.967 175.602 174.990 -0.592 0.000 1.221 154 C CA -0.917 57.892 59.018 -0.348 0.000 1.697 154 C CB -0.306 27.356 27.740 -0.130 0.000 2.312 154 C HN 1.026 9.256 8.230 0.000 0.000 0.509 155 G N 2.539 111.143 108.800 -0.327 0.000 2.378 155 G HA2 0.299 4.259 3.960 0.001 0.000 0.255 155 G HA3 0.299 4.259 3.960 0.001 0.000 0.255 155 G C 0.562 175.253 174.900 -0.348 0.000 1.270 155 G CA 0.085 45.012 45.100 -0.288 0.000 0.876 155 G HN 0.771 9.061 8.290 0.000 0.000 0.521 156 E N 0.206 120.129 120.200 -0.461 0.000 2.152 156 E HA 0.165 4.515 4.350 0.001 0.000 0.195 156 E C 0.813 177.116 176.600 -0.496 0.000 0.934 156 E CA 0.558 56.654 56.400 -0.507 0.000 0.869 156 E CB 0.894 30.126 29.700 -0.779 0.000 0.842 156 E HN 0.429 8.789 8.360 0.000 0.000 0.472 157 S N -0.990 114.304 115.700 -0.677 0.000 2.627 157 S HA 0.598 5.068 4.470 0.001 0.000 0.268 157 S C -1.582 172.837 174.600 -0.301 0.000 1.130 157 S CA -0.646 57.311 58.200 -0.405 0.000 0.819 157 S CB 0.699 63.711 63.200 -0.315 0.000 1.100 157 S HN 0.162 8.472 8.310 0.000 0.000 0.465 158 M N 1.630 121.169 119.600 -0.102 0.000 2.721 158 M HA 0.900 5.380 4.480 0.001 0.000 0.271 158 M C -1.575 174.786 176.300 0.103 0.000 1.259 158 M CA -0.910 54.382 55.300 -0.014 0.000 0.835 158 M CB 1.946 34.499 32.600 -0.078 0.000 1.689 158 M HN 0.743 9.033 8.290 0.000 0.000 0.470 159 F N -1.058 118.811 119.950 -0.135 0.000 2.686 159 F HA 0.894 5.422 4.527 0.001 0.000 0.311 159 F C -1.611 174.094 175.800 -0.158 0.000 1.128 159 F CA -0.672 57.244 58.000 -0.139 0.000 0.946 159 F CB 1.706 40.625 39.000 -0.135 0.000 1.336 159 F HN 0.847 9.147 8.300 0.000 0.000 0.457 160 S N 1.151 116.666 115.700 -0.308 0.000 2.572 160 S HA 0.564 5.034 4.470 0.001 0.000 0.274 160 S C -0.447 174.050 174.600 -0.171 0.000 1.150 160 S CA -0.735 57.219 58.200 -0.410 0.000 0.944 160 S CB 1.535 64.552 63.200 -0.304 0.000 1.071 160 S HN 0.780 9.090 8.310 0.000 0.000 0.479 161 R N 2.661 123.054 120.500 -0.179 0.000 2.476 161 R HA 0.398 4.738 4.340 0.001 0.000 0.276 161 R C -0.210 176.068 176.300 -0.037 0.000 0.941 161 R CA 0.138 56.218 56.100 -0.033 0.000 1.088 161 R CB 0.187 30.518 30.300 0.051 0.000 1.216 161 R HN 0.714 8.984 8.270 0.000 0.000 0.533 162 M N 0.364 119.915 119.600 -0.082 0.000 2.421 162 M HA 0.224 4.704 4.480 0.001 0.000 0.287 162 M C -1.226 175.079 176.300 0.007 0.000 1.183 162 M CA -0.750 54.559 55.300 0.015 0.000 0.916 162 M CB 2.684 35.354 32.600 0.116 0.000 1.701 162 M HN -0.213 8.077 8.290 0.000 0.000 0.470 163 E N 2.860 123.092 120.200 0.053 0.000 2.765 163 E HA -0.051 4.300 4.350 0.001 0.000 0.256 163 E C -0.051 176.509 176.600 -0.066 0.000 0.935 163 E CA 1.557 57.946 56.400 -0.019 0.000 0.954 163 E CB 0.064 29.754 29.700 -0.015 0.000 0.908 163 E HN 0.679 9.039 8.360 0.000 0.000 0.500 164 N N 1.648 120.239 118.700 -0.183 0.000 2.900 164 N HA -0.320 4.421 4.740 0.001 0.000 0.240 164 N C 0.721 176.151 175.510 -0.134 0.000 0.953 164 N CA 1.130 54.031 53.050 -0.248 0.000 0.950 164 N CB -1.594 36.477 38.487 -0.694 0.000 1.102 164 N HN 0.479 8.859 8.380 0.000 0.000 0.593 165 A N 0.825 123.521 122.820 -0.207 0.000 1.849 165 A HA -0.211 4.110 4.320 0.001 0.000 0.217 165 A C 2.303 179.666 177.584 -0.368 0.000 1.202 165 A CA 3.224 54.965 52.037 -0.493 0.000 0.629 165 A CB -1.138 17.491 19.000 -0.619 0.000 0.834 165 A HN 0.752 8.902 8.150 0.000 0.000 0.447 166 S N -0.416 115.089 115.700 -0.324 0.000 2.419 166 S HA -0.187 4.284 4.470 0.001 0.000 0.233 166 S C 1.862 176.377 174.600 -0.141 0.000 1.016 166 S CA 1.629 59.679 58.200 -0.250 0.000 0.974 166 S CB -0.379 62.700 63.200 -0.202 0.000 0.786 166 S HN 0.569 8.879 8.310 0.000 0.000 0.492 167 K N 0.658 120.994 120.400 -0.107 0.000 2.026 167 K HA -0.095 4.226 4.320 0.001 0.000 0.208 167 K C 2.694 179.218 176.600 -0.126 0.000 1.048 167 K CA 1.745 57.980 56.287 -0.087 0.000 0.929 167 K CB -0.643 31.809 32.500 -0.081 0.000 0.713 167 K HN 0.678 8.928 8.250 0.000 0.000 0.439 168 T N -0.415 114.064 114.554 -0.126 0.000 2.867 168 T HA -0.060 4.290 4.350 0.001 0.000 0.268 168 T C 1.968 176.572 174.700 -0.160 0.000 1.057 168 T CA 1.174 63.178 62.100 -0.160 0.000 1.136 168 T CB -0.130 68.743 68.868 0.007 0.000 0.874 168 T HN 0.185 8.425 8.240 0.000 0.000 0.466 169 A N 1.286 124.015 122.820 -0.150 0.000 1.908 169 A HA 0.070 4.390 4.320 0.001 0.000 0.218 169 A C 2.321 179.870 177.584 -0.059 0.000 1.181 169 A CA 1.803 53.764 52.037 -0.127 0.000 0.627 169 A CB -0.959 17.925 19.000 -0.194 0.000 0.818 169 A HN 0.539 8.689 8.150 0.000 0.000 0.445 170 L N -1.084 120.097 121.223 -0.070 0.000 2.131 170 L HA 0.018 4.358 4.340 0.001 0.000 0.206 170 L C 2.192 179.077 176.870 0.026 0.000 1.087 170 L CA 1.591 56.430 54.840 -0.001 0.000 0.767 170 L CB -0.551 41.481 42.059 -0.045 0.000 0.917 170 L HN 0.384 8.614 8.230 0.000 0.000 0.441 171 L N -1.090 120.085 121.223 -0.081 0.000 1.970 171 L HA -0.163 4.178 4.340 0.001 0.000 0.212 171 L C 2.357 179.162 176.870 -0.108 0.000 1.071 171 L CA 2.074 56.830 54.840 -0.141 0.000 0.751 171 L CB -0.956 40.913 42.059 -0.317 0.000 0.889 171 L HN 0.072 8.302 8.230 0.000 0.000 0.432 172 V N -0.413 119.421 119.914 -0.134 0.000 2.407 172 V HA -0.299 3.821 4.120 0.001 0.000 0.248 172 V C 2.346 178.470 176.094 0.050 0.000 1.055 172 V CA 2.051 64.323 62.300 -0.046 0.000 1.049 172 V CB -0.919 30.886 31.823 -0.029 0.000 0.662 172 V HN 0.572 8.762 8.190 0.000 0.000 0.455 173 F N 0.546 120.459 119.950 -0.061 0.000 2.102 173 F HA -0.225 4.302 4.527 0.001 0.000 0.298 173 F C 2.473 178.294 175.800 0.037 0.000 1.105 173 F CA 1.851 59.823 58.000 -0.046 0.000 1.239 173 F CB -0.754 38.176 39.000 -0.116 0.000 0.991 173 F HN 0.144 8.444 8.300 0.000 0.000 0.474 174 C N 0.748 120.057 119.300 0.015 0.000 2.413 174 C HA -0.194 4.267 4.460 0.001 0.000 0.276 174 C C 2.678 177.657 174.990 -0.018 0.000 1.248 174 C CA 1.402 60.421 59.018 0.001 0.000 1.742 174 C CB -1.253 26.541 27.740 0.090 0.000 2.017 174 C HN 0.555 8.785 8.230 0.000 0.000 0.481 175 E N 0.529 120.724 120.200 -0.009 0.000 2.021 175 E HA -0.278 4.073 4.350 0.001 0.000 0.200 175 E C 2.079 178.690 176.600 0.019 0.000 1.015 175 E CA 1.702 58.111 56.400 0.015 0.000 0.824 175 E CB -0.283 29.441 29.700 0.039 0.000 0.762 175 E HN 0.547 8.907 8.360 0.000 0.000 0.454 176 E N 0.400 120.600 120.200 0.001 0.000 2.086 176 E HA -0.232 4.119 4.350 0.001 0.000 0.200 176 E C 1.727 178.356 176.600 0.048 0.000 1.012 176 E CA 1.239 57.652 56.400 0.022 0.000 0.812 176 E CB -0.364 29.291 29.700 -0.074 0.000 0.743 176 E HN 0.183 8.543 8.360 0.000 0.000 0.453 177 F N 0.664 120.392 119.950 -0.370 0.000 2.046 177 F HA -0.182 4.345 4.527 0.001 0.000 0.297 177 F C 2.052 177.677 175.800 -0.291 0.000 1.123 177 F CA 1.781 59.475 58.000 -0.510 0.000 1.199 177 F CB -0.634 37.854 39.000 -0.854 0.000 0.972 177 F HN 0.070 8.370 8.300 0.000 0.000 0.474 178 I N -0.100 120.367 120.570 -0.172 0.000 2.099 178 I HA -0.281 3.889 4.170 0.001 0.000 0.239 178 I C 2.765 178.788 176.117 -0.158 0.000 1.066 178 I CA 1.575 62.759 61.300 -0.194 0.000 1.324 178 I CB -1.576 36.388 38.000 -0.061 0.000 1.037 178 I HN 0.271 8.480 8.210 0.000 0.000 0.401 179 G N -0.146 108.631 108.800 -0.037 0.000 2.562 179 G HA2 -0.279 3.682 3.960 0.001 0.000 0.223 179 G HA3 -0.279 3.682 3.960 0.001 0.000 0.223 179 G C 1.026 175.863 174.900 -0.106 0.000 1.102 179 G CA 1.212 46.306 45.100 -0.009 0.000 0.742 179 G HN 0.497 8.787 8.290 0.000 0.000 0.587 180 H N -1.297 117.620 119.070 -0.255 0.000 2.528 180 H HA 0.419 4.975 4.556 0.001 0.000 0.282 180 H C 1.693 176.769 175.328 -0.420 0.000 1.097 180 H CA -0.009 55.851 56.048 -0.315 0.000 1.121 180 H CB 0.548 30.091 29.762 -0.366 0.000 1.590 180 H HN 0.349 8.629 8.280 0.000 0.000 0.553 181 G N -0.330 108.273 108.800 -0.328 0.000 2.179 181 G HA2 -0.219 3.741 3.960 0.001 0.000 0.220 181 G HA3 -0.219 3.741 3.960 0.001 0.000 0.220 181 G C 0.902 175.492 174.900 -0.516 0.000 0.990 181 G CA -0.211 44.686 45.100 -0.338 0.000 0.646 181 G HN 0.728 9.018 8.290 0.000 0.000 0.517 182 G N -0.185 108.032 108.800 -0.971 0.000 2.391 182 G HA2 0.418 4.378 3.960 0.001 0.000 0.234 182 G HA3 0.418 4.378 3.960 0.001 0.000 0.234 182 G C 0.616 175.027 174.900 -0.815 0.000 1.284 182 G CA 1.035 45.046 45.100 -1.815 0.000 0.873 182 G HN 0.451 8.741 8.290 0.000 0.000 0.549 183 K N 0.168 120.351 120.400 -0.361 0.000 2.462 183 K HA 0.396 4.717 4.320 0.001 0.000 0.201 183 K C 0.338 177.033 176.600 0.158 0.000 1.268 183 K CA 0.074 56.354 56.287 -0.012 0.000 0.933 183 K CB 0.305 32.828 32.500 0.039 0.000 1.162 183 K HN 0.389 8.639 8.250 0.000 0.000 0.527 184 L N 0.899 122.263 121.223 0.235 0.000 2.518 184 L HA 0.498 4.838 4.340 0.001 0.000 0.257 184 L C -1.611 175.411 176.870 0.252 0.000 0.980 184 L CA -0.845 54.032 54.840 0.061 0.000 0.837 184 L CB 2.095 43.991 42.059 -0.272 0.000 1.410 184 L HN -0.061 8.169 8.230 0.000 0.000 0.410 185 I N 2.128 122.745 120.570 0.077 0.000 2.410 185 I HA 0.203 4.374 4.170 0.001 0.000 0.286 185 I C -0.864 175.246 176.117 -0.011 0.000 1.009 185 I CA -0.546 60.827 61.300 0.123 0.000 1.111 185 I CB 1.896 39.974 38.000 0.131 0.000 1.262 185 I HN 0.457 8.667 8.210 0.000 0.000 0.443 186 D N 5.333 125.744 120.400 0.018 0.000 2.343 186 D HA 0.145 4.785 4.640 0.001 0.000 0.255 186 D C 0.153 176.354 176.300 -0.165 0.000 1.187 186 D CA -0.101 53.844 54.000 -0.092 0.000 0.875 186 D CB 1.095 41.888 40.800 -0.012 0.000 1.136 186 D HN 0.507 8.877 8.370 0.000 0.000 0.469 187 C N 4.084 123.254 119.300 -0.217 0.000 2.778 187 C HA 0.163 4.624 4.460 0.001 0.000 0.294 187 C C 1.488 176.299 174.990 -0.298 0.000 1.331 187 C CA -0.274 58.609 59.018 -0.225 0.000 1.741 187 C CB -1.850 25.782 27.740 -0.180 0.000 2.106 187 C HN 0.789 9.019 8.230 0.000 0.000 0.603 188 Q N -0.196 119.387 119.800 -0.362 0.000 2.365 188 Q HA -0.306 4.035 4.340 0.001 0.000 0.418 188 Q C 0.232 176.051 176.000 -0.302 0.000 0.738 188 Q CA 1.929 57.467 55.803 -0.441 0.000 0.990 188 Q CB -1.330 26.898 28.738 -0.849 0.000 1.967 188 Q HN 0.424 8.694 8.270 0.000 0.000 0.954 189 V N 1.785 121.494 119.914 -0.342 0.000 2.435 189 V HA 0.339 4.460 4.120 0.001 0.000 0.290 189 V C 0.042 176.001 176.094 -0.226 0.000 1.030 189 V CA -0.611 61.530 62.300 -0.265 0.000 0.881 189 V CB 1.558 33.176 31.823 -0.341 0.000 0.983 189 V HN 0.336 8.526 8.190 0.000 0.000 0.445 190 L N 5.664 126.786 121.223 -0.167 0.000 2.416 190 L HA 0.412 4.752 4.340 0.001 0.000 0.272 190 L C -0.126 176.671 176.870 -0.123 0.000 1.161 190 L CA 0.598 55.359 54.840 -0.132 0.000 0.845 190 L CB 0.878 42.880 42.059 -0.096 0.000 1.119 190 L HN 1.097 9.327 8.230 0.000 0.000 0.464 191 N N 1.334 119.973 118.700 -0.102 0.000 2.774 191 N HA 0.286 5.027 4.740 0.001 0.000 0.264 191 N C 0.120 175.602 175.510 -0.047 0.000 1.415 191 N CA -0.702 52.301 53.050 -0.078 0.000 0.815 191 N CB 0.548 38.987 38.487 -0.079 0.000 1.514 191 N HN 0.367 8.747 8.380 0.000 0.000 0.523 192 D N -0.878 119.506 120.400 -0.026 0.000 2.106 192 D HA -0.258 4.383 4.640 0.001 0.000 0.191 192 D C 1.194 177.511 176.300 0.027 0.000 0.997 192 D CA 1.671 55.667 54.000 -0.006 0.000 0.834 192 D CB -0.456 40.343 40.800 -0.002 0.000 0.956 192 D HN 0.680 9.050 8.370 0.000 0.000 0.448 193 H N 0.065 119.097 119.070 -0.062 0.000 2.267 193 H HA -0.127 4.430 4.556 0.001 0.000 0.297 193 H C 2.070 177.363 175.328 -0.059 0.000 1.080 193 H CA 1.923 57.935 56.048 -0.061 0.000 1.278 193 H CB 0.061 29.782 29.762 -0.068 0.000 1.365 193 H HN 0.025 8.305 8.280 0.000 0.000 0.489 194 T N -0.178 114.279 114.554 -0.161 0.000 2.833 194 T HA -0.101 4.250 4.350 0.001 0.000 0.269 194 T C 2.012 176.619 174.700 -0.156 0.000 1.054 194 T CA 1.253 63.218 62.100 -0.224 0.000 1.135 194 T CB -0.488 68.293 68.868 -0.146 0.000 0.869 194 T HN 0.517 8.757 8.240 0.000 0.000 0.466 195 A N 0.839 123.597 122.820 -0.103 0.000 1.968 195 A HA 0.022 4.342 4.320 0.001 0.000 0.217 195 A C 2.565 180.105 177.584 -0.075 0.000 1.169 195 A CA 1.926 53.919 52.037 -0.074 0.000 0.638 195 A CB -0.773 18.193 19.000 -0.057 0.000 0.812 195 A HN 0.684 8.834 8.150 0.000 0.000 0.446 196 S N -0.436 115.214 115.700 -0.082 0.000 2.481 196 S HA 0.076 4.546 4.470 0.001 0.000 0.231 196 S C 1.496 176.059 174.600 -0.062 0.000 0.996 196 S CA 0.892 59.047 58.200 -0.075 0.000 0.942 196 S CB -0.455 62.722 63.200 -0.038 0.000 0.768 196 S HN 0.426 8.736 8.310 0.000 0.000 0.520 197 L N 0.735 121.896 121.223 -0.103 0.000 2.591 197 L HA 0.325 4.666 4.340 0.001 0.000 0.228 197 L C 1.834 178.708 176.870 0.008 0.000 1.133 197 L CA 0.490 55.286 54.840 -0.072 0.000 0.880 197 L CB -0.244 41.693 42.059 -0.202 0.000 1.033 197 L HN 0.630 8.860 8.230 0.000 0.000 0.450 198 G N -0.486 108.315 108.800 0.001 0.000 2.184 198 G HA2 -0.197 3.764 3.960 0.001 0.000 0.206 198 G HA3 -0.197 3.764 3.960 0.001 0.000 0.206 198 G C 0.362 175.282 174.900 0.034 0.000 0.995 198 G CA -0.159 44.966 45.100 0.042 0.000 0.651 198 G HN 0.417 8.707 8.290 0.000 0.000 0.511 199 A N -0.423 122.388 122.820 -0.014 0.000 2.425 199 A HA 0.715 5.035 4.320 0.001 0.000 0.242 199 A C 1.060 178.642 177.584 -0.004 0.000 1.077 199 A CA 0.782 52.804 52.037 -0.025 0.000 0.781 199 A CB 0.160 19.115 19.000 -0.075 0.000 1.020 199 A HN 2.073 10.223 8.150 0.000 0.000 0.494 200 C N 0.045 119.350 119.300 0.009 0.000 3.318 200 C HA 0.863 5.323 4.460 0.001 0.000 0.329 200 C C -0.714 174.288 174.990 0.021 0.000 1.449 200 C CA -0.888 58.151 59.018 0.036 0.000 1.397 200 C CB 0.753 28.558 27.740 0.107 0.000 1.810 200 C HN 0.865 9.095 8.230 0.000 0.000 0.449 201 E N 1.036 121.261 120.200 0.041 0.000 2.171 201 E HA 0.710 5.061 4.350 0.001 0.000 0.271 201 E C -0.581 176.075 176.600 0.092 0.000 0.916 201 E CA -0.323 56.100 56.400 0.038 0.000 0.774 201 E CB 1.868 31.578 29.700 0.017 0.000 1.128 201 E HN 0.726 9.086 8.360 0.000 0.000 0.403 202 I N -1.267 119.373 120.570 0.117 0.000 2.957 202 I HA 0.650 4.821 4.170 0.001 0.000 0.310 202 I C -2.711 173.495 176.117 0.148 0.000 1.063 202 I CA -3.318 58.089 61.300 0.178 0.000 1.033 202 I CB 1.857 40.036 38.000 0.299 0.000 1.230 202 I HN 0.167 8.377 8.210 0.000 0.000 0.447 203 P HA 0.130 4.550 4.420 0.000 0.000 0.268 203 P C 0.300 177.684 177.300 0.140 0.000 1.205 203 P CA -0.212 62.954 63.100 0.110 0.000 0.771 203 P CB 0.710 32.459 31.700 0.082 0.000 0.858 204 R N 4.505 125.081 120.500 0.125 0.000 2.119 204 R HA -0.255 4.086 4.340 0.001 0.000 0.246 204 R C 2.010 178.401 176.300 0.152 0.000 1.146 204 R CA 2.163 58.361 56.100 0.165 0.000 0.962 204 R CB -0.199 30.171 30.300 0.117 0.000 0.863 204 R HN 0.478 8.748 8.270 0.000 0.000 0.442 205 R N -0.382 120.166 120.500 0.081 0.000 2.148 205 R HA -0.085 4.256 4.340 0.001 0.000 0.227 205 R C 1.319 177.610 176.300 -0.015 0.000 1.103 205 R CA 1.669 57.786 56.100 0.029 0.000 0.983 205 R CB -0.322 29.985 30.300 0.012 0.000 0.874 205 R HN 0.224 8.494 8.270 0.000 0.000 0.451 206 D N 0.470 120.875 120.400 0.007 0.000 2.103 206 D HA -0.164 4.477 4.640 0.001 0.000 0.199 206 D C 1.706 177.930 176.300 -0.125 0.000 0.978 206 D CA 1.160 55.094 54.000 -0.111 0.000 0.829 206 D CB -0.406 40.405 40.800 0.018 0.000 0.981 206 D HN 0.235 8.605 8.370 0.000 0.000 0.464 207 Y N 1.973 122.322 120.300 0.081 0.000 2.165 207 Y HA -0.177 4.374 4.550 0.001 0.000 0.286 207 Y C 2.201 178.184 175.900 0.137 0.000 1.155 207 Y CA 1.262 59.490 58.100 0.212 0.000 1.164 207 Y CB -0.568 37.985 38.460 0.156 0.000 0.978 207 Y HN -0.094 8.186 8.280 0.000 0.000 0.513 208 L N 0.103 121.217 121.223 -0.182 0.000 2.012 208 L HA -0.290 4.050 4.340 0.001 0.000 0.210 208 L C 2.332 179.079 176.870 -0.206 0.000 1.073 208 L CA 1.553 56.257 54.840 -0.226 0.000 0.748 208 L CB -0.787 41.242 42.059 -0.051 0.000 0.891 208 L HN 0.281 8.511 8.230 0.000 0.000 0.431 209 N N -0.259 118.329 118.700 -0.187 0.000 2.043 209 N HA -0.223 4.517 4.740 0.001 0.000 0.193 209 N C 1.861 177.298 175.510 -0.121 0.000 1.037 209 N CA 1.617 54.562 53.050 -0.175 0.000 0.851 209 N CB -0.571 37.763 38.487 -0.255 0.000 1.027 209 N HN 0.380 8.760 8.380 0.000 0.000 0.422 210 Y N 1.366 121.625 120.300 -0.067 0.000 2.151 210 Y HA -0.160 4.391 4.550 0.001 0.000 0.284 210 Y C 2.596 178.433 175.900 -0.105 0.000 1.166 210 Y CA 0.425 58.500 58.100 -0.040 0.000 1.163 210 Y CB -0.281 38.170 38.460 -0.015 0.000 0.974 210 Y HN 0.076 8.356 8.280 0.000 0.000 0.511 211 L N 0.473 121.622 121.223 -0.124 0.000 1.990 211 L HA -0.334 4.007 4.340 0.001 0.000 0.213 211 L C 1.739 178.601 176.870 -0.013 0.000 1.072 211 L CA 2.056 56.807 54.840 -0.148 0.000 0.755 211 L CB -0.551 41.308 42.059 -0.334 0.000 0.889 211 L HN 0.431 8.661 8.230 0.000 0.000 0.432 212 N N -1.134 117.551 118.700 -0.024 0.000 2.166 212 N HA -0.250 4.491 4.740 0.001 0.000 0.186 212 N C 1.778 177.316 175.510 0.047 0.000 1.019 212 N CA 0.892 53.951 53.050 0.014 0.000 0.856 212 N CB 0.017 38.503 38.487 -0.003 0.000 0.993 212 N HN 0.319 8.699 8.380 0.000 0.000 0.426 213 Q N 0.558 120.397 119.800 0.066 0.000 2.123 213 Q HA 0.106 4.447 4.340 0.001 0.000 0.199 213 Q C 1.836 177.897 176.000 0.102 0.000 0.966 213 Q CA 1.204 57.060 55.803 0.088 0.000 0.845 213 Q CB 0.143 28.953 28.738 0.121 0.000 0.907 213 Q HN 0.392 8.662 8.270 0.000 0.000 0.439 214 M N -0.360 119.312 119.600 0.121 0.000 2.334 214 M HA -0.022 4.458 4.480 0.001 0.000 0.266 214 M C 1.818 178.199 176.300 0.135 0.000 1.082 214 M CA 1.016 56.394 55.300 0.129 0.000 1.141 214 M CB -0.094 32.597 32.600 0.152 0.000 1.380 214 M HN 0.131 8.421 8.290 0.000 0.000 0.440 215 R N 1.011 121.587 120.500 0.127 0.000 2.193 215 R HA -0.076 4.265 4.340 0.001 0.000 0.229 215 R C 1.511 177.888 176.300 0.128 0.000 1.110 215 R CA 1.168 57.352 56.100 0.141 0.000 0.988 215 R CB -0.746 29.629 30.300 0.125 0.000 0.871 215 R HN 0.364 8.634 8.270 0.000 0.000 0.458 216 L N 0.961 122.246 121.223 0.104 0.000 2.446 216 L HA 0.173 4.514 4.340 0.001 0.000 0.219 216 L C 1.677 178.599 176.870 0.087 0.000 1.116 216 L CA 0.164 55.058 54.840 0.089 0.000 0.844 216 L CB -0.466 41.636 42.059 0.071 0.000 0.970 216 L HN 0.325 8.555 8.230 0.000 0.000 0.457 217 G N 0.346 109.202 108.800 0.092 0.000 2.443 217 G HA2 0.183 4.144 3.960 0.001 0.000 0.286 217 G HA3 0.183 4.144 3.960 0.001 0.000 0.286 217 G C -0.309 174.640 174.900 0.081 0.000 1.393 217 G CA -0.094 45.050 45.100 0.075 0.000 1.080 217 G HN 0.210 8.500 8.290 0.000 0.000 0.566 218 R N -2.486 118.047 120.500 0.054 0.000 2.728 218 R HA 0.448 4.788 4.340 0.001 0.000 0.259 218 R C -1.460 174.840 176.300 -0.000 0.000 1.057 218 R CA -0.541 55.595 56.100 0.060 0.000 0.908 218 R CB 0.613 30.948 30.300 0.058 0.000 1.259 218 R HN 0.446 8.716 8.270 0.000 0.000 0.472 219 L N 3.059 124.286 121.223 0.006 0.000 2.286 219 L HA 0.722 5.063 4.340 0.001 0.000 0.265 219 L C -1.939 174.928 176.870 -0.005 0.000 1.012 219 L CA -2.574 52.199 54.840 -0.112 0.000 0.818 219 L CB 1.876 43.750 42.059 -0.308 0.000 1.337 219 L HN 0.573 8.803 8.230 0.000 0.000 0.438 220 P HA -0.060 4.360 4.420 0.000 0.000 0.264 220 P C 0.166 177.541 177.300 0.125 0.000 1.179 220 P CA 0.224 63.382 63.100 0.096 0.000 0.763 220 P CB 0.368 32.182 31.700 0.190 0.000 0.806 221 N N 2.614 121.381 118.700 0.111 0.000 2.513 221 N HA -0.151 4.590 4.740 0.001 0.000 0.187 221 N C 0.539 176.135 175.510 0.143 0.000 1.056 221 N CA 0.884 54.008 53.050 0.124 0.000 0.907 221 N CB -0.083 38.460 38.487 0.093 0.000 0.954 221 N HN 0.467 8.847 8.380 0.000 0.000 0.445 222 N N -0.918 117.863 118.700 0.135 0.000 2.238 222 N HA -0.062 4.679 4.740 0.001 0.000 0.235 222 N C 1.004 176.562 175.510 0.080 0.000 1.209 222 N CA -0.448 52.672 53.050 0.117 0.000 0.879 222 N CB -1.027 37.512 38.487 0.086 0.000 1.136 222 N HN 0.015 8.395 8.380 0.000 0.000 0.517 223 F N 0.909 120.790 119.950 -0.114 0.000 2.154 223 F HA -0.028 4.499 4.527 0.001 0.000 0.301 223 F C 0.716 176.263 175.800 -0.422 0.000 1.087 223 F CA 1.477 59.252 58.000 -0.375 0.000 1.274 223 F CB -0.049 38.583 39.000 -0.613 0.000 1.009 223 F HN 0.068 8.368 8.300 0.000 0.000 0.485 224 W N 0.417 121.659 121.300 -0.097 0.000 3.290 224 W HA 0.275 4.935 4.660 0.001 0.000 0.287 224 W C 0.587 177.072 176.519 -0.056 0.000 1.288 224 W CA 0.151 57.376 57.345 -0.201 0.000 1.725 224 W CB -0.790 28.510 29.460 -0.266 0.000 1.103 224 W HN -0.171 8.009 8.180 0.000 0.000 0.670 225 V N 1.451 121.451 119.914 0.144 0.000 2.763 225 V HA 0.140 4.261 4.120 0.001 0.000 0.306 225 V C -1.575 174.609 176.094 0.151 0.000 1.059 225 V CA -2.244 60.142 62.300 0.142 0.000 1.138 225 V CB 0.017 31.896 31.823 0.093 0.000 0.940 225 V HN -0.146 8.044 8.190 0.000 0.000 0.489 226 P HA 0.206 4.626 4.420 0.000 0.000 0.262 226 P C -0.476 177.016 177.300 0.319 0.000 1.199 226 P CA 0.331 63.608 63.100 0.294 0.000 0.763 226 P CB 0.264 32.109 31.700 0.242 0.000 0.790 227 R N 2.289 123.007 120.500 0.362 0.000 2.747 227 R HA 0.473 4.813 4.340 0.001 0.000 0.272 227 R C -1.537 174.810 176.300 0.077 0.000 1.032 227 R CA -0.848 55.419 56.100 0.278 0.000 0.896 227 R CB 0.307 30.668 30.300 0.101 0.000 1.253 227 R HN 0.420 8.690 8.270 0.000 0.000 0.461 228 C N 1.857 121.166 119.300 0.014 0.000 2.369 228 C HA 0.488 4.948 4.460 0.001 0.000 0.358 228 C C 1.499 176.484 174.990 -0.008 0.000 1.274 228 C CA -0.641 58.328 59.018 -0.082 0.000 1.935 228 C CB -0.635 27.071 27.740 -0.057 0.000 2.431 228 C HN 0.759 8.989 8.230 0.000 0.000 0.545 229 L N 3.760 125.001 121.223 0.031 0.000 2.470 229 L HA 0.393 4.734 4.340 0.001 0.000 0.219 229 L C 0.046 177.039 176.870 0.204 0.000 1.071 229 L CA 0.376 55.265 54.840 0.082 0.000 0.850 229 L CB -0.121 41.985 42.059 0.077 0.000 1.040 229 L HN 0.644 8.874 8.230 0.000 0.000 0.475 230 F N -0.330 119.643 119.950 0.039 0.000 2.604 230 F HA 0.478 5.005 4.527 0.001 0.000 0.316 230 F C -0.876 174.961 175.800 0.062 0.000 1.136 230 F CA -0.563 57.478 58.000 0.067 0.000 0.989 230 F CB 1.780 40.859 39.000 0.131 0.000 1.258 230 F HN -0.376 7.924 8.300 0.000 0.000 0.451 231 S N 7.125 122.385 115.700 -0.734 0.000 2.472 231 S HA 0.599 5.069 4.470 0.001 0.000 0.303 231 S C -2.486 171.672 174.600 -0.738 0.000 1.099 231 S CA -1.190 56.706 58.200 -0.506 0.000 1.077 231 S CB 1.909 64.936 63.200 -0.289 0.000 1.031 231 S HN 0.525 8.835 8.310 0.000 0.000 0.487 232 P HA 0.242 4.662 4.420 0.000 0.000 0.282 232 P C -0.639 176.554 177.300 -0.178 0.000 1.286 232 P CA -0.358 62.651 63.100 -0.152 0.000 0.777 232 P CB 0.560 32.268 31.700 0.014 0.000 1.184 233 Q N 0.000 119.727 119.800 -0.122 0.000 2.315 233 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 233 Q CA 0.000 55.737 55.803 -0.109 0.000 1.022 233 Q CB 0.000 28.676 28.738 -0.104 0.000 1.108 233 Q HN 0.000 8.270 8.270 0.000 0.000 0.481