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 3k5y_1_A DATA FIRST_RESID 168 DATA SEQUENCE LPTWSLDSNG EMRSRLSLSE VLDSGDLMKF AVDKTGCQFL EKAVKGSLTS DATA SEQUENCE YQKFQLFEQV IGRKDDFLKL STNIFGNYLV QSVIGISLAT NDDGYTKRQE DATA SEQUENCE KLKNFISSQM TDMCLDKFAC RVIQSSLQNM DLSLACKLVQ ALPRDARLIA DATA SEQUENCE ICVDQNANHV IQKVVAVIPL KNWEFIVDFV ATPEHLRQIC SDKYGCRVVQ DATA SEQUENCE TIIEKLTADS MNVDLTSAAQ NLRERALQRL MTSVTNRcQE LATNEYANYI DATA SEQUENCE IQHIVSNDDL AVYRECIIEK cLMRNLLSLS QEKFASHVVE KAFLHAPLEL DATA SEQUENCE LAEMMDEIFD GYIPHPDTGK DALDIMMFHQ FGNYVVQCML TICCDAVSGR DATA SEQUENCE RQTKEGGYDH AISFQDWLKK LHSRVTKERH RLSRFSSGKK MIETLANLRS 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 168 L HA 0.000 nan 4.340 nan 0.000 0.249 168 L C 0.000 176.624 176.870 -0.410 0.000 1.165 168 L CA 0.000 54.546 54.840 -0.491 0.000 0.813 168 L CB 0.000 41.738 42.059 -0.535 0.000 0.961 169 P HA 0.049 nan 4.420 nan 0.000 0.267 169 P C 0.597 177.649 177.300 -0.414 0.000 1.200 169 P CA -0.031 62.848 63.100 -0.368 0.000 0.772 169 P CB 0.858 32.279 31.700 -0.464 0.000 0.855 170 T N 1.112 115.563 114.554 -0.170 0.000 2.867 170 T HA -0.095 4.254 4.350 -0.002 0.000 0.268 170 T C 1.318 175.980 174.700 -0.063 0.000 1.057 170 T CA 1.069 63.109 62.100 -0.101 0.000 1.136 170 T CB -0.474 68.392 68.868 -0.003 0.000 0.874 170 T HN 0.606 nan 8.240 nan 0.000 0.466 171 W N 1.627 122.930 121.300 0.006 0.000 2.392 171 W HA 0.000 4.659 4.660 -0.002 0.000 0.279 171 W C 1.682 178.214 176.519 0.023 0.000 1.225 171 W CA 1.035 58.390 57.345 0.017 0.000 1.233 171 W CB -1.101 28.378 29.460 0.032 0.000 1.122 171 W HN 0.477 nan 8.180 nan 0.000 0.561 172 S N 0.291 115.559 115.700 -0.720 0.000 2.605 172 S HA 0.290 4.759 4.470 -0.002 0.000 0.217 172 S C 0.519 174.921 174.600 -0.330 0.000 0.958 172 S CA -0.313 57.485 58.200 -0.669 0.000 0.919 172 S CB -0.665 61.894 63.200 -1.069 0.000 0.780 172 S HN 0.165 nan 8.310 nan 0.000 0.507 173 L N 1.360 122.440 121.223 -0.238 0.000 2.330 173 L HA 0.569 4.908 4.340 -0.002 0.000 0.271 173 L C 0.041 176.859 176.870 -0.087 0.000 1.013 173 L CA -1.057 53.683 54.840 -0.166 0.000 0.816 173 L CB 1.179 43.135 42.059 -0.172 0.000 1.287 173 L HN 0.067 nan 8.230 nan 0.000 0.435 174 D N 0.148 120.503 120.400 -0.074 0.000 2.315 174 D HA 0.122 4.760 4.640 -0.002 0.000 0.275 174 D C 0.687 176.964 176.300 -0.038 0.000 1.218 174 D CA 0.007 53.980 54.000 -0.044 0.000 1.040 174 D CB 0.651 41.425 40.800 -0.043 0.000 1.123 174 D HN 0.397 nan 8.370 nan 0.000 0.541 175 S N -0.177 115.506 115.700 -0.028 0.000 2.577 175 S HA 0.052 4.521 4.470 -0.002 0.000 0.219 175 S C 0.825 175.408 174.600 -0.029 0.000 0.962 175 S CA -0.287 57.898 58.200 -0.025 0.000 0.921 175 S CB -0.049 63.142 63.200 -0.016 0.000 0.789 175 S HN 0.270 nan 8.310 nan 0.000 0.497 176 N N 0.991 119.669 118.700 -0.036 0.000 2.254 176 N HA 0.173 4.912 4.740 -0.002 0.000 0.190 176 N C 1.274 176.755 175.510 -0.047 0.000 1.107 176 N CA 0.718 53.746 53.050 -0.038 0.000 0.869 176 N CB 0.472 38.937 38.487 -0.037 0.000 0.983 176 N HN 0.442 nan 8.380 nan 0.000 0.487 177 G N 0.794 109.559 108.800 -0.057 0.000 2.176 177 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.253 177 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.253 177 G C -0.196 174.650 174.900 -0.091 0.000 0.979 177 G CA -0.011 45.046 45.100 -0.072 0.000 0.641 177 G HN 0.408 nan 8.290 nan 0.000 0.530 178 E N -0.369 119.779 120.200 -0.087 0.000 2.227 178 E HA 0.569 4.918 4.350 -0.002 0.000 0.268 178 E C 0.505 177.033 176.600 -0.120 0.000 0.990 178 E CA -0.982 55.359 56.400 -0.099 0.000 0.856 178 E CB 1.202 30.856 29.700 -0.077 0.000 1.159 178 E HN 0.286 nan 8.360 nan 0.000 0.401 179 M N 2.511 122.026 119.600 -0.141 0.000 2.252 179 M HA 0.022 4.501 4.480 -0.002 0.000 0.348 179 M C 0.011 176.230 176.300 -0.135 0.000 1.334 179 M CA 0.416 55.617 55.300 -0.166 0.000 1.071 179 M CB 0.304 32.802 32.600 -0.169 0.000 1.763 179 M HN 0.341 nan 8.290 nan 0.000 0.452 180 R N 2.686 123.103 120.500 -0.138 0.000 2.756 180 R HA 0.133 4.472 4.340 -0.002 0.000 0.264 180 R C -0.103 176.133 176.300 -0.106 0.000 1.026 180 R CA -0.066 55.976 56.100 -0.097 0.000 1.121 180 R CB 0.283 30.543 30.300 -0.066 0.000 0.999 180 R HN 0.686 nan 8.270 nan 0.000 0.449 181 S N 1.409 117.070 115.700 -0.065 0.000 2.687 181 S HA 0.281 4.750 4.470 -0.002 0.000 0.283 181 S C 0.207 174.788 174.600 -0.032 0.000 1.170 181 S CA -0.807 57.364 58.200 -0.049 0.000 1.008 181 S CB 1.195 64.381 63.200 -0.024 0.000 1.026 181 S HN 0.586 nan 8.310 nan 0.000 0.541 182 R N -0.816 119.680 120.500 -0.007 0.000 3.776 182 R HA -0.154 4.185 4.340 -0.002 0.000 0.312 182 R C -0.949 175.359 176.300 0.014 0.000 1.181 182 R CA 0.066 56.178 56.100 0.019 0.000 0.836 182 R CB -2.361 27.950 30.300 0.018 0.000 1.324 182 R HN 0.461 nan 8.270 nan 0.000 0.501 183 L N 1.352 122.546 121.223 -0.048 0.000 2.349 183 L HA 0.281 4.620 4.340 -0.002 0.000 0.275 183 L C 0.806 177.715 176.870 0.064 0.000 1.115 183 L CA 0.228 55.009 54.840 -0.098 0.000 0.820 183 L CB 1.438 43.237 42.059 -0.434 0.000 1.135 183 L HN 0.297 nan 8.230 nan 0.000 0.445 184 S N 3.811 119.589 115.700 0.130 0.000 2.565 184 S HA 0.304 4.773 4.470 -0.002 0.000 0.290 184 S C 0.800 175.570 174.600 0.282 0.000 1.150 184 S CA -0.727 57.597 58.200 0.207 0.000 1.058 184 S CB 1.219 64.485 63.200 0.110 0.000 1.032 184 S HN 0.674 nan 8.310 nan 0.000 0.510 185 L N 3.065 124.431 121.223 0.239 0.000 2.083 185 L HA 0.015 4.353 4.340 -0.002 0.000 0.209 185 L C 2.337 179.240 176.870 0.055 0.000 1.083 185 L CA 1.958 56.867 54.840 0.115 0.000 0.752 185 L CB -1.155 40.877 42.059 -0.044 0.000 0.899 185 L HN 0.847 nan 8.230 nan 0.000 0.433 186 S N -0.632 115.097 115.700 0.049 0.000 2.383 186 S HA -0.151 4.317 4.470 -0.002 0.000 0.227 186 S C 1.765 176.376 174.600 0.018 0.000 1.026 186 S CA 1.138 59.356 58.200 0.031 0.000 0.981 186 S CB -0.222 63.005 63.200 0.045 0.000 0.818 186 S HN 0.538 nan 8.310 nan 0.000 0.472 187 E N 0.476 120.692 120.200 0.027 0.000 2.070 187 E HA -0.153 4.196 4.350 -0.002 0.000 0.197 187 E C 2.041 178.636 176.600 -0.009 0.000 1.004 187 E CA 1.502 57.885 56.400 -0.028 0.000 0.805 187 E CB -0.173 29.561 29.700 0.056 0.000 0.744 187 E HN 0.303 nan 8.360 nan 0.000 0.451 188 V N 1.198 121.158 119.914 0.076 0.000 2.323 188 V HA -0.227 3.892 4.120 -0.002 0.000 0.244 188 V C 2.316 178.422 176.094 0.020 0.000 1.041 188 V CA 1.326 63.643 62.300 0.029 0.000 1.025 188 V CB -0.439 31.224 31.823 -0.267 0.000 0.656 188 V HN 0.252 nan 8.190 nan 0.000 0.451 189 L N -0.060 121.157 121.223 -0.009 0.000 2.083 189 L HA -0.172 4.167 4.340 -0.002 0.000 0.209 189 L C 2.279 179.146 176.870 -0.005 0.000 1.083 189 L CA 1.459 56.285 54.840 -0.022 0.000 0.752 189 L CB -0.683 41.334 42.059 -0.070 0.000 0.899 189 L HN 0.334 nan 8.230 nan 0.000 0.433 190 D N -0.615 119.781 120.400 -0.007 0.000 2.183 190 D HA -0.117 4.522 4.640 -0.002 0.000 0.203 190 D C 2.419 178.700 176.300 -0.032 0.000 0.969 190 D CA 1.469 55.467 54.000 -0.005 0.000 0.842 190 D CB -0.057 40.730 40.800 -0.022 0.000 0.957 190 D HN 0.310 nan 8.370 nan 0.000 0.484 191 S N -0.444 115.220 115.700 -0.060 0.000 2.399 191 S HA -0.024 4.444 4.470 -0.002 0.000 0.231 191 S C 1.953 176.582 174.600 0.048 0.000 1.022 191 S CA 1.460 59.610 58.200 -0.083 0.000 0.983 191 S CB -0.315 62.870 63.200 -0.025 0.000 0.803 191 S HN 0.348 nan 8.310 nan 0.000 0.480 192 G N 0.792 109.648 108.800 0.093 0.000 2.175 192 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.244 192 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.244 192 G C 0.208 175.209 174.900 0.169 0.000 0.982 192 G CA 0.302 45.467 45.100 0.107 0.000 0.641 192 G HN 0.529 nan 8.290 nan 0.000 0.527 193 D N -0.062 120.501 120.400 0.271 0.000 2.342 193 D HA 0.225 4.864 4.640 -0.002 0.000 0.221 193 D C 2.265 178.810 176.300 0.408 0.000 1.101 193 D CA 0.032 54.252 54.000 0.366 0.000 0.837 193 D CB 0.358 41.509 40.800 0.584 0.000 0.938 193 D HN 0.454 nan 8.370 nan 0.000 0.508 194 L N 0.289 121.680 121.223 0.280 0.000 2.013 194 L HA -0.221 4.118 4.340 -0.002 0.000 0.212 194 L C 2.020 179.043 176.870 0.255 0.000 1.073 194 L CA 1.239 56.228 54.840 0.249 0.000 0.753 194 L CB -0.105 42.028 42.059 0.123 0.000 0.890 194 L HN -0.031 nan 8.230 nan 0.000 0.432 195 M N -0.444 119.261 119.600 0.174 0.000 2.195 195 M HA -0.213 4.266 4.480 -0.002 0.000 0.260 195 M C 2.124 178.493 176.300 0.116 0.000 1.066 195 M CA 1.570 56.944 55.300 0.124 0.000 1.089 195 M CB -1.124 31.526 32.600 0.083 0.000 1.377 195 M HN 0.237 nan 8.290 nan 0.000 0.411 196 K N -0.504 119.972 120.400 0.126 0.000 2.103 196 K HA -0.013 4.306 4.320 -0.002 0.000 0.204 196 K C 1.992 178.558 176.600 -0.057 0.000 1.052 196 K CA 1.180 57.471 56.287 0.005 0.000 0.945 196 K CB -0.632 31.828 32.500 -0.068 0.000 0.722 196 K HN 0.312 nan 8.250 nan 0.000 0.443 197 F N 1.158 121.118 119.950 0.017 0.000 2.206 197 F HA -0.063 4.464 4.527 -0.001 0.000 0.298 197 F C 2.419 178.236 175.800 0.027 0.000 1.090 197 F CA 0.976 58.985 58.000 0.014 0.000 1.323 197 F CB -0.431 38.608 39.000 0.065 0.000 1.028 197 F HN -0.025 nan 8.300 nan 0.000 0.492 198 A N -0.086 122.876 122.820 0.237 0.000 1.969 198 A HA -0.101 4.218 4.320 -0.002 0.000 0.218 198 A C 1.971 179.642 177.584 0.146 0.000 1.169 198 A CA 1.725 53.861 52.037 0.166 0.000 0.635 198 A CB -1.117 17.963 19.000 0.134 0.000 0.810 198 A HN 0.283 nan 8.150 nan 0.000 0.445 199 V N -2.055 117.932 119.914 0.121 0.000 3.596 199 V HA 0.253 4.372 4.120 -0.002 0.000 0.289 199 V C -0.052 176.163 176.094 0.201 0.000 1.336 199 V CA 0.431 62.825 62.300 0.155 0.000 1.137 199 V CB -0.779 31.089 31.823 0.074 0.000 0.966 199 V HN 0.393 nan 8.190 nan 0.000 0.428 200 D N 0.184 120.618 120.400 0.057 0.000 2.192 200 D HA 0.271 4.910 4.640 -0.002 0.000 0.246 200 D C 1.139 177.204 176.300 -0.392 0.000 1.042 200 D CA -0.532 53.415 54.000 -0.088 0.000 0.847 200 D CB 2.158 42.865 40.800 -0.154 0.000 1.186 200 D HN 0.084 nan 8.370 nan 0.000 0.461 201 K N 1.549 121.465 120.400 -0.806 0.000 2.015 201 K HA -0.208 4.111 4.320 -0.002 0.000 0.216 201 K C 1.321 177.586 176.600 -0.558 0.000 1.052 201 K CA 2.175 57.705 56.287 -1.262 0.000 0.937 201 K CB -0.198 31.747 32.500 -0.926 0.000 0.719 201 K HN 0.544 nan 8.250 nan 0.000 0.446 202 T N -0.224 114.138 114.554 -0.321 0.000 2.777 202 T HA -0.073 4.276 4.350 -0.002 0.000 0.266 202 T C 1.808 176.480 174.700 -0.047 0.000 1.040 202 T CA 1.235 63.237 62.100 -0.163 0.000 1.141 202 T CB -0.602 68.186 68.868 -0.133 0.000 0.868 202 T HN 0.557 nan 8.240 nan 0.000 0.444 203 G N 0.106 108.885 108.800 -0.035 0.000 2.421 203 G HA2 -0.257 3.701 3.960 -0.002 0.000 0.216 203 G HA3 -0.257 3.701 3.960 -0.002 0.000 0.216 203 G C 1.944 176.983 174.900 0.232 0.000 1.171 203 G CA 0.962 46.183 45.100 0.203 0.000 0.775 203 G HN 0.559 nan 8.290 nan 0.000 0.543 204 C N -0.121 119.209 119.300 0.049 0.000 2.432 204 C HA 0.076 4.534 4.460 -0.002 0.000 0.280 204 C C 2.782 177.769 174.990 -0.005 0.000 1.353 204 C CA 1.266 60.308 59.018 0.040 0.000 1.766 204 C CB -0.813 26.936 27.740 0.016 0.000 1.924 204 C HN 0.612 nan 8.230 nan 0.000 0.509 205 Q N -0.972 118.800 119.800 -0.046 0.000 2.119 205 Q HA -0.180 4.159 4.340 -0.002 0.000 0.201 205 Q C 1.922 177.939 176.000 0.028 0.000 0.972 205 Q CA 1.789 57.562 55.803 -0.050 0.000 0.847 205 Q CB -0.313 28.377 28.738 -0.080 0.000 0.903 205 Q HN 0.764 nan 8.270 nan 0.000 0.433 206 F N 0.299 120.225 119.950 -0.039 0.000 2.163 206 F HA -0.090 4.436 4.527 -0.003 0.000 0.297 206 F C 1.471 177.255 175.800 -0.027 0.000 1.094 206 F CA 1.088 59.074 58.000 -0.023 0.000 1.290 206 F CB -0.152 38.851 39.000 0.004 0.000 1.017 206 F HN 0.021 nan 8.300 nan 0.000 0.483 207 L N 0.175 121.272 121.223 -0.210 0.000 2.083 207 L HA -0.162 4.177 4.340 -0.002 0.000 0.209 207 L C 2.532 179.255 176.870 -0.245 0.000 1.083 207 L CA 1.155 55.807 54.840 -0.313 0.000 0.752 207 L CB -0.760 41.266 42.059 -0.056 0.000 0.899 207 L HN 0.119 nan 8.230 nan 0.000 0.433 208 E N 0.231 120.347 120.200 -0.140 0.000 2.110 208 E HA -0.221 4.127 4.350 -0.002 0.000 0.193 208 E C 2.104 178.629 176.600 -0.124 0.000 0.988 208 E CA 1.100 57.443 56.400 -0.096 0.000 0.804 208 E CB 0.065 29.725 29.700 -0.068 0.000 0.745 208 E HN 0.220 nan 8.360 nan 0.000 0.458 209 K N 0.684 120.984 120.400 -0.167 0.000 2.031 209 K HA 0.032 4.350 4.320 -0.002 0.000 0.205 209 K C 1.906 178.383 176.600 -0.206 0.000 1.049 209 K CA 1.232 57.427 56.287 -0.153 0.000 0.939 209 K CB -0.428 32.000 32.500 -0.121 0.000 0.717 209 K HN 0.058 nan 8.250 nan 0.000 0.438 210 A N -0.023 122.572 122.820 -0.375 0.000 1.933 210 A HA -0.119 4.200 4.320 -0.002 0.000 0.218 210 A C 2.265 179.715 177.584 -0.223 0.000 1.175 210 A CA 1.755 53.565 52.037 -0.378 0.000 0.628 210 A CB -0.729 17.859 19.000 -0.686 0.000 0.814 210 A HN 0.132 nan 8.150 nan 0.000 0.444 211 V N 0.027 119.824 119.914 -0.195 0.000 2.809 211 V HA -0.151 3.968 4.120 -0.002 0.000 0.256 211 V C 2.054 178.106 176.094 -0.071 0.000 1.080 211 V CA 1.887 64.117 62.300 -0.117 0.000 1.102 211 V CB -0.470 31.300 31.823 -0.088 0.000 0.705 211 V HN 0.530 nan 8.190 nan 0.000 0.475 212 K N -0.022 120.336 120.400 -0.069 0.000 2.426 212 K HA 0.148 4.467 4.320 -0.002 0.000 0.193 212 K C 1.192 177.771 176.600 -0.035 0.000 1.028 212 K CA 0.437 56.701 56.287 -0.038 0.000 1.047 212 K CB 0.259 32.740 32.500 -0.032 0.000 0.821 212 K HN 0.520 nan 8.250 nan 0.000 0.513 213 G N 0.909 109.679 108.800 -0.051 0.000 2.494 213 G HA2 0.068 4.027 3.960 -0.002 0.000 0.270 213 G HA3 0.068 4.027 3.960 -0.002 0.000 0.270 213 G C -0.492 174.392 174.900 -0.027 0.000 1.423 213 G CA -0.589 44.489 45.100 -0.038 0.000 1.055 213 G HN 0.039 nan 8.290 nan 0.000 0.536 214 S N -0.252 115.436 115.700 -0.019 0.000 2.510 214 S HA 0.355 4.824 4.470 -0.002 0.000 0.279 214 S C -0.177 174.412 174.600 -0.019 0.000 1.284 214 S CA -0.125 58.068 58.200 -0.011 0.000 1.059 214 S CB 0.454 63.651 63.200 -0.004 0.000 0.901 214 S HN 0.334 nan 8.310 nan 0.000 0.491 215 L N 3.453 124.665 121.223 -0.018 0.000 2.333 215 L HA 0.422 4.761 4.340 -0.002 0.000 0.280 215 L C 0.935 177.799 176.870 -0.011 0.000 1.004 215 L CA -0.823 53.999 54.840 -0.031 0.000 0.820 215 L CB 1.760 43.785 42.059 -0.058 0.000 1.247 215 L HN 0.681 nan 8.230 nan 0.000 0.416 216 T N -1.550 113.003 114.554 -0.002 0.000 2.813 216 T HA 0.009 4.358 4.350 -0.002 0.000 0.297 216 T C 1.291 176.007 174.700 0.028 0.000 1.036 216 T CA -0.001 62.113 62.100 0.023 0.000 1.044 216 T CB 1.496 70.391 68.868 0.046 0.000 0.993 216 T HN 0.599 nan 8.240 nan 0.000 0.535 217 S N 0.345 116.079 115.700 0.057 0.000 2.374 217 S HA -0.206 4.263 4.470 -0.002 0.000 0.227 217 S C 1.648 176.318 174.600 0.118 0.000 1.037 217 S CA 1.377 59.626 58.200 0.082 0.000 1.024 217 S CB -0.973 62.278 63.200 0.085 0.000 0.861 217 S HN 0.761 nan 8.310 nan 0.000 0.456 218 Y N 1.795 122.088 120.300 -0.012 0.000 2.200 218 Y HA -0.014 4.535 4.550 -0.002 0.000 0.290 218 Y C 2.424 178.340 175.900 0.026 0.000 1.137 218 Y CA 1.907 60.010 58.100 0.005 0.000 1.163 218 Y CB -0.764 37.677 38.460 -0.033 0.000 0.988 218 Y HN 0.400 nan 8.280 nan 0.000 0.518 219 Q N 0.131 119.881 119.800 -0.082 0.000 2.077 219 Q HA -0.246 4.093 4.340 -0.002 0.000 0.206 219 Q C 2.181 178.005 176.000 -0.293 0.000 0.989 219 Q CA 2.196 57.887 55.803 -0.187 0.000 0.853 219 Q CB -0.178 28.501 28.738 -0.098 0.000 0.907 219 Q HN 0.457 nan 8.270 nan 0.000 0.418 220 K N -0.019 120.188 120.400 -0.321 0.000 2.026 220 K HA -0.171 4.147 4.320 -0.002 0.000 0.208 220 K C 1.907 177.927 176.600 -0.967 0.000 1.048 220 K CA 1.318 57.175 56.287 -0.717 0.000 0.929 220 K CB -0.331 31.818 32.500 -0.586 0.000 0.713 220 K HN 0.111 nan 8.250 nan 0.000 0.439 221 F N 2.638 122.263 119.950 -0.541 0.000 2.120 221 F HA -0.270 4.257 4.527 -0.001 0.000 0.300 221 F C 2.271 177.908 175.800 -0.271 0.000 1.095 221 F CA 1.680 59.527 58.000 -0.255 0.000 1.249 221 F CB -0.027 38.929 39.000 -0.073 0.000 0.995 221 F HN 0.069 nan 8.300 nan 0.000 0.480 222 Q N -0.029 119.597 119.800 -0.289 0.000 2.083 222 Q HA -0.142 4.197 4.340 -0.002 0.000 0.198 222 Q C 2.338 178.205 176.000 -0.222 0.000 0.969 222 Q CA 1.670 57.306 55.803 -0.279 0.000 0.838 222 Q CB -0.273 28.255 28.738 -0.350 0.000 0.900 222 Q HN 0.458 nan 8.270 nan 0.000 0.436 223 L N -0.282 120.775 121.223 -0.276 0.000 2.046 223 L HA -0.196 4.142 4.340 -0.002 0.000 0.208 223 L C 2.146 178.992 176.870 -0.039 0.000 1.077 223 L CA 0.983 55.719 54.840 -0.173 0.000 0.747 223 L CB -0.422 41.501 42.059 -0.227 0.000 0.896 223 L HN 0.192 nan 8.230 nan 0.000 0.432 224 F N 0.383 120.257 119.950 -0.127 0.000 2.095 224 F HA -0.216 4.309 4.527 -0.003 0.000 0.298 224 F C 2.714 178.413 175.800 -0.168 0.000 1.104 224 F CA 1.047 58.955 58.000 -0.153 0.000 1.232 224 F CB -0.952 37.919 39.000 -0.215 0.000 0.987 224 F HN 0.118 nan 8.300 nan 0.000 0.475 225 E N 0.096 120.257 120.200 -0.066 0.000 2.072 225 E HA -0.161 4.188 4.350 -0.002 0.000 0.190 225 E C 2.139 178.736 176.600 -0.005 0.000 0.982 225 E CA 1.011 57.355 56.400 -0.094 0.000 0.803 225 E CB -0.583 29.001 29.700 -0.192 0.000 0.755 225 E HN 0.567 nan 8.360 nan 0.000 0.453 226 Q N 0.078 119.878 119.800 -0.000 0.000 2.163 226 Q HA 0.016 4.355 4.340 -0.002 0.000 0.198 226 Q C 2.257 178.302 176.000 0.076 0.000 0.954 226 Q CA 0.777 56.601 55.803 0.034 0.000 0.851 226 Q CB 0.415 29.165 28.738 0.020 0.000 0.928 226 Q HN 0.068 nan 8.270 nan 0.000 0.459 227 V N 0.789 120.761 119.914 0.096 0.000 2.575 227 V HA -0.037 4.082 4.120 -0.002 0.000 0.242 227 V C 1.717 177.955 176.094 0.239 0.000 1.045 227 V CA 1.259 63.647 62.300 0.146 0.000 1.065 227 V CB 0.084 31.985 31.823 0.129 0.000 0.717 227 V HN 0.418 nan 8.190 nan 0.000 0.467 228 I N -2.781 117.911 120.570 0.204 0.000 3.966 228 I HA 0.540 4.709 4.170 -0.002 0.000 0.324 228 I C 1.416 177.621 176.117 0.147 0.000 1.517 228 I CA 0.481 61.899 61.300 0.196 0.000 1.117 228 I CB 0.212 38.268 38.000 0.093 0.000 1.190 228 I HN 0.028 nan 8.210 nan 0.000 0.466 229 G N 1.190 110.083 108.800 0.154 0.000 2.656 229 G HA2 0.270 4.229 3.960 -0.002 0.000 0.211 229 G HA3 0.270 4.229 3.960 -0.002 0.000 0.211 229 G C 0.662 175.718 174.900 0.259 0.000 1.137 229 G CA -0.242 44.941 45.100 0.138 0.000 0.802 229 G HN 0.232 nan 8.290 nan 0.000 0.527 230 R N 0.135 120.735 120.500 0.168 0.000 2.437 230 R HA 0.371 4.710 4.340 -0.002 0.000 0.310 230 R C 0.806 176.911 176.300 -0.326 0.000 0.955 230 R CA -0.590 55.518 56.100 0.014 0.000 0.851 230 R CB 2.097 32.403 30.300 0.010 0.000 1.161 230 R HN 0.064 nan 8.270 nan 0.000 0.446 231 K N 1.931 121.806 120.400 -0.875 0.000 2.059 231 K HA -0.267 4.052 4.320 -0.002 0.000 0.212 231 K C 0.881 177.239 176.600 -0.404 0.000 1.050 231 K CA 2.624 58.172 56.287 -1.232 0.000 0.927 231 K CB 0.128 32.092 32.500 -0.894 0.000 0.714 231 K HN 0.653 nan 8.250 nan 0.000 0.447 232 D N 0.007 120.273 120.400 -0.224 0.000 2.123 232 D HA -0.156 4.483 4.640 -0.002 0.000 0.200 232 D C 1.355 177.617 176.300 -0.063 0.000 0.976 232 D CA 1.298 55.232 54.000 -0.110 0.000 0.831 232 D CB -0.677 40.079 40.800 -0.073 0.000 0.974 232 D HN 0.218 nan 8.370 nan 0.000 0.469 233 D N -0.487 119.893 120.400 -0.034 0.000 2.178 233 D HA -0.109 4.529 4.640 -0.002 0.000 0.201 233 D C 1.593 177.910 176.300 0.028 0.000 0.980 233 D CA 0.499 54.503 54.000 0.006 0.000 0.842 233 D CB -0.542 40.279 40.800 0.034 0.000 0.948 233 D HN 0.255 nan 8.370 nan 0.000 0.472 234 F N 1.081 120.968 119.950 -0.105 0.000 2.134 234 F HA -0.090 4.436 4.527 -0.001 0.000 0.299 234 F C 1.925 177.688 175.800 -0.062 0.000 1.097 234 F CA 1.133 59.093 58.000 -0.066 0.000 1.264 234 F CB -0.240 38.714 39.000 -0.077 0.000 1.001 234 F HN -0.103 nan 8.300 nan 0.000 0.479 235 L N 0.177 121.269 121.223 -0.218 0.000 2.056 235 L HA -0.185 4.154 4.340 -0.002 0.000 0.207 235 L C 2.491 179.233 176.870 -0.213 0.000 1.078 235 L CA 1.647 56.324 54.840 -0.271 0.000 0.749 235 L CB -0.730 41.266 42.059 -0.106 0.000 0.901 235 L HN 0.123 nan 8.230 nan 0.000 0.433 236 K N 0.854 121.174 120.400 -0.134 0.000 2.063 236 K HA -0.166 4.152 4.320 -0.002 0.000 0.208 236 K C 1.937 178.472 176.600 -0.108 0.000 1.048 236 K CA 1.577 57.808 56.287 -0.092 0.000 0.928 236 K CB -0.206 32.263 32.500 -0.051 0.000 0.713 236 K HN 0.192 nan 8.250 nan 0.000 0.442 237 L N -0.209 120.935 121.223 -0.132 0.000 2.095 237 L HA -0.046 4.292 4.340 -0.002 0.000 0.204 237 L C 2.312 179.075 176.870 -0.179 0.000 1.080 237 L CA 0.995 55.767 54.840 -0.113 0.000 0.759 237 L CB -0.432 41.592 42.059 -0.058 0.000 0.914 237 L HN 0.149 nan 8.230 nan 0.000 0.439 238 S N -0.320 115.184 115.700 -0.327 0.000 2.383 238 S HA -0.162 4.307 4.470 -0.002 0.000 0.229 238 S C 1.821 176.320 174.600 -0.169 0.000 1.030 238 S CA 1.959 59.954 58.200 -0.341 0.000 1.002 238 S CB -0.323 62.498 63.200 -0.632 0.000 0.829 238 S HN 0.623 nan 8.310 nan 0.000 0.467 239 T N -0.549 113.926 114.554 -0.131 0.000 3.144 239 T HA 0.165 4.514 4.350 -0.002 0.000 0.249 239 T C 0.222 174.936 174.700 0.023 0.000 1.089 239 T CA -0.353 61.746 62.100 -0.003 0.000 0.989 239 T CB -0.315 68.538 68.868 -0.024 0.000 0.992 239 T HN 0.207 nan 8.240 nan 0.000 0.540 240 N N 0.955 119.578 118.700 -0.128 0.000 2.473 240 N HA 0.242 4.980 4.740 -0.002 0.000 0.291 240 N C 1.018 176.121 175.510 -0.679 0.000 1.083 240 N CA -0.377 52.503 53.050 -0.283 0.000 0.951 240 N CB 1.664 40.049 38.487 -0.170 0.000 1.164 240 N HN 0.203 nan 8.380 nan 0.000 0.480 241 I N 2.716 122.584 120.570 -1.169 0.000 2.248 241 I HA -0.262 3.907 4.170 -0.002 0.000 0.248 241 I C 0.580 176.160 176.117 -0.895 0.000 1.107 241 I CA 1.705 61.944 61.300 -1.768 0.000 1.373 241 I CB 0.056 37.166 38.000 -1.483 0.000 1.055 241 I HN 0.477 nan 8.210 nan 0.000 0.418 242 F N 0.464 120.265 119.950 -0.249 0.000 2.383 242 F HA 0.290 4.817 4.527 -0.001 0.000 0.287 242 F C 2.516 178.341 175.800 0.041 0.000 1.069 242 F CA 0.640 58.627 58.000 -0.021 0.000 1.402 242 F CB -1.520 37.456 39.000 -0.041 0.000 1.116 242 F HN -0.008 nan 8.300 nan 0.000 0.549 243 G N 1.082 109.946 108.800 0.107 0.000 2.450 243 G HA2 -0.373 3.586 3.960 -0.002 0.000 0.220 243 G HA3 -0.373 3.586 3.960 -0.002 0.000 0.220 243 G C 1.351 176.265 174.900 0.023 0.000 1.130 243 G CA 1.367 46.504 45.100 0.062 0.000 0.760 243 G HN 0.531 nan 8.290 nan 0.000 0.557 244 N N -0.745 117.915 118.700 -0.067 0.000 2.289 244 N HA -0.162 4.577 4.740 -0.002 0.000 0.184 244 N C 1.778 177.223 175.510 -0.109 0.000 1.016 244 N CA 1.353 54.326 53.050 -0.130 0.000 0.872 244 N CB -0.563 37.811 38.487 -0.188 0.000 0.973 244 N HN 0.445 nan 8.380 nan 0.000 0.433 245 Y N -0.121 120.185 120.300 0.008 0.000 2.200 245 Y HA -0.005 4.543 4.550 -0.003 0.000 0.290 245 Y C 2.175 178.091 175.900 0.027 0.000 1.137 245 Y CA 0.733 58.848 58.100 0.025 0.000 1.163 245 Y CB -0.486 37.995 38.460 0.036 0.000 0.988 245 Y HN 0.131 nan 8.280 nan 0.000 0.518 246 L N -0.515 120.820 121.223 0.188 0.000 2.046 246 L HA -0.156 4.183 4.340 -0.002 0.000 0.208 246 L C 2.137 179.067 176.870 0.101 0.000 1.077 246 L CA 1.369 56.279 54.840 0.117 0.000 0.747 246 L CB -0.781 41.337 42.059 0.099 0.000 0.896 246 L HN 0.048 nan 8.230 nan 0.000 0.432 247 V N -0.388 119.576 119.914 0.084 0.000 2.343 247 V HA -0.338 3.780 4.120 -0.002 0.000 0.247 247 V C 2.530 178.689 176.094 0.108 0.000 1.051 247 V CA 2.118 64.480 62.300 0.102 0.000 1.036 247 V CB -0.749 31.098 31.823 0.040 0.000 0.654 247 V HN 0.574 nan 8.190 nan 0.000 0.451 248 Q N -0.472 119.369 119.800 0.070 0.000 2.079 248 Q HA -0.154 4.185 4.340 -0.002 0.000 0.200 248 Q C 2.543 178.590 176.000 0.078 0.000 0.974 248 Q CA 1.758 57.599 55.803 0.063 0.000 0.840 248 Q CB -0.319 28.435 28.738 0.027 0.000 0.898 248 Q HN 0.539 nan 8.270 nan 0.000 0.430 249 S N 0.328 116.082 115.700 0.090 0.000 2.359 249 S HA -0.135 4.334 4.470 -0.002 0.000 0.224 249 S C 2.082 176.737 174.600 0.092 0.000 1.035 249 S CA 1.275 59.524 58.200 0.081 0.000 1.018 249 S CB -0.160 63.082 63.200 0.070 0.000 0.876 249 S HN 0.167 nan 8.310 nan 0.000 0.448 250 V N 1.549 121.529 119.914 0.110 0.000 2.548 250 V HA -0.086 4.032 4.120 -0.002 0.000 0.249 250 V C 1.965 178.157 176.094 0.162 0.000 1.055 250 V CA 1.201 63.596 62.300 0.157 0.000 1.065 250 V CB -0.592 31.333 31.823 0.170 0.000 0.681 250 V HN 0.436 nan 8.190 nan 0.000 0.462 251 I N 0.877 121.511 120.570 0.108 0.000 2.226 251 I HA -0.168 4.001 4.170 -0.002 0.000 0.245 251 I C 2.586 178.723 176.117 0.033 0.000 1.100 251 I CA 1.719 63.048 61.300 0.047 0.000 1.374 251 I CB -0.806 37.226 38.000 0.053 0.000 1.057 251 I HN 0.402 nan 8.210 nan 0.000 0.413 252 G N 1.035 109.871 108.800 0.061 0.000 2.418 252 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.217 252 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.217 252 G C 1.676 176.630 174.900 0.089 0.000 1.158 252 G CA 0.712 45.848 45.100 0.061 0.000 0.771 252 G HN 0.331 nan 8.290 nan 0.000 0.545 253 I N 0.605 121.256 120.570 0.135 0.000 2.252 253 I HA -0.146 4.022 4.170 -0.002 0.000 0.245 253 I C 2.987 179.270 176.117 0.276 0.000 1.102 253 I CA 1.154 62.577 61.300 0.204 0.000 1.385 253 I CB -0.213 37.915 38.000 0.214 0.000 1.064 253 I HN 0.237 nan 8.210 nan 0.000 0.414 254 S N 0.990 116.800 115.700 0.184 0.000 2.370 254 S HA -0.147 4.322 4.470 -0.002 0.000 0.226 254 S C 2.028 176.524 174.600 -0.173 0.000 1.033 254 S CA 1.438 59.475 58.200 -0.272 0.000 1.011 254 S CB -0.279 62.600 63.200 -0.534 0.000 0.852 254 S HN 0.344 nan 8.310 nan 0.000 0.457 255 L N 0.630 121.814 121.223 -0.064 0.000 2.291 255 L HA 0.080 4.418 4.340 -0.002 0.000 0.214 255 L C 2.485 179.489 176.870 0.222 0.000 1.120 255 L CA 0.945 55.815 54.840 0.049 0.000 0.799 255 L CB -0.375 41.700 42.059 0.026 0.000 0.925 255 L HN 0.389 nan 8.230 nan 0.000 0.446 256 A N -1.479 121.436 122.820 0.158 0.000 2.251 256 A HA 0.080 4.399 4.320 -0.002 0.000 0.209 256 A C 0.866 178.550 177.584 0.168 0.000 1.187 256 A CA 0.340 52.464 52.037 0.146 0.000 0.823 256 A CB -0.195 18.870 19.000 0.110 0.000 0.846 256 A HN 0.220 nan 8.150 nan 0.000 0.486 257 T N 1.823 116.516 114.554 0.231 0.000 3.042 257 T HA 0.189 4.537 4.350 -0.002 0.000 0.356 257 T C -0.102 174.755 174.700 0.262 0.000 1.233 257 T CA -0.536 61.710 62.100 0.243 0.000 1.038 257 T CB 0.081 69.166 68.868 0.361 0.000 1.089 257 T HN 0.269 nan 8.240 nan 0.000 0.531 258 N N 4.101 122.879 118.700 0.130 0.000 3.091 258 N HA 0.055 4.794 4.740 -0.002 0.000 0.301 258 N C 0.132 175.667 175.510 0.041 0.000 1.325 258 N CA -0.062 52.986 53.050 -0.005 0.000 1.143 258 N CB 0.385 38.781 38.487 -0.152 0.000 1.450 258 N HN 0.710 nan 8.380 nan 0.000 0.542 259 D N -1.079 119.402 120.400 0.135 0.000 2.478 259 D HA 0.031 4.670 4.640 -0.002 0.000 0.274 259 D C 0.698 177.068 176.300 0.117 0.000 1.234 259 D CA -0.475 53.599 54.000 0.122 0.000 1.069 259 D CB 0.461 41.362 40.800 0.167 0.000 1.113 259 D HN -0.148 nan 8.370 nan 0.000 0.571 260 D N -2.151 118.312 120.400 0.105 0.000 2.264 260 D HA 0.049 4.688 4.640 -0.002 0.000 0.208 260 D C 1.921 178.284 176.300 0.104 0.000 0.966 260 D CA 1.184 55.237 54.000 0.088 0.000 0.864 260 D CB -0.250 40.593 40.800 0.072 0.000 0.933 260 D HN 0.515 nan 8.370 nan 0.000 0.499 261 G N -1.259 107.619 108.800 0.131 0.000 2.985 261 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.209 261 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.209 261 G C 1.120 176.039 174.900 0.032 0.000 1.165 261 G CA -0.086 45.069 45.100 0.092 0.000 0.776 261 G HN 0.320 nan 8.290 nan 0.000 0.541 262 Y N 2.654 122.919 120.300 -0.060 0.000 2.081 262 Y HA -0.311 4.238 4.550 -0.001 0.000 0.280 262 Y C 3.051 178.873 175.900 -0.130 0.000 1.163 262 Y CA 2.734 60.766 58.100 -0.114 0.000 1.135 262 Y CB -0.214 38.204 38.460 -0.070 0.000 0.970 262 Y HN 0.271 nan 8.280 nan 0.000 0.498 263 T N -1.952 112.678 114.554 0.128 0.000 2.857 263 T HA -0.138 4.211 4.350 -0.002 0.000 0.266 263 T C 1.900 176.534 174.700 -0.110 0.000 1.048 263 T CA 1.378 63.501 62.100 0.037 0.000 1.139 263 T CB -0.402 68.523 68.868 0.095 0.000 0.874 263 T HN 0.286 nan 8.240 nan 0.000 0.455 264 K N 0.949 121.291 120.400 -0.098 0.000 2.057 264 K HA -0.046 4.273 4.320 -0.002 0.000 0.207 264 K C 2.758 179.218 176.600 -0.233 0.000 1.049 264 K CA 0.962 57.168 56.287 -0.136 0.000 0.931 264 K CB -0.071 32.378 32.500 -0.085 0.000 0.714 264 K HN 0.306 nan 8.250 nan 0.000 0.440 265 R N 0.105 120.432 120.500 -0.288 0.000 2.081 265 R HA -0.159 4.180 4.340 -0.002 0.000 0.235 265 R C 2.471 178.510 176.300 -0.434 0.000 1.131 265 R CA 1.582 57.447 56.100 -0.392 0.000 0.960 265 R CB -0.184 29.805 30.300 -0.518 0.000 0.856 265 R HN 0.359 nan 8.270 nan 0.000 0.436 266 Q N 0.466 119.997 119.800 -0.448 0.000 2.187 266 Q HA -0.175 4.163 4.340 -0.002 0.000 0.199 266 Q C 1.859 177.667 176.000 -0.319 0.000 0.957 266 Q CA 1.298 56.852 55.803 -0.414 0.000 0.857 266 Q CB 0.240 28.693 28.738 -0.474 0.000 0.929 266 Q HN 0.156 nan 8.270 nan 0.000 0.453 267 E N 0.905 120.938 120.200 -0.279 0.000 2.072 267 E HA -0.196 4.153 4.350 -0.002 0.000 0.191 267 E C 1.757 178.156 176.600 -0.335 0.000 0.985 267 E CA 1.453 57.710 56.400 -0.239 0.000 0.801 267 E CB -0.004 29.589 29.700 -0.178 0.000 0.750 267 E HN 0.172 nan 8.360 nan 0.000 0.452 268 K N -0.367 119.767 120.400 -0.444 0.000 2.009 268 K HA -0.178 4.141 4.320 -0.002 0.000 0.210 268 K C 2.126 178.118 176.600 -1.012 0.000 1.049 268 K CA 1.467 57.309 56.287 -0.743 0.000 0.929 268 K CB -0.368 31.690 32.500 -0.736 0.000 0.714 268 K HN 0.206 nan 8.250 nan 0.000 0.440 269 L N 2.048 122.826 121.223 -0.741 0.000 2.042 269 L HA -0.223 4.115 4.340 -0.002 0.000 0.210 269 L C 2.261 178.899 176.870 -0.388 0.000 1.076 269 L CA 1.873 56.343 54.840 -0.616 0.000 0.749 269 L CB -0.590 41.218 42.059 -0.418 0.000 0.893 269 L HN 0.126 nan 8.230 nan 0.000 0.432 270 K N -0.318 119.903 120.400 -0.298 0.000 2.063 270 K HA -0.205 4.113 4.320 -0.002 0.000 0.208 270 K C 1.883 178.400 176.600 -0.138 0.000 1.048 270 K CA 1.717 57.902 56.287 -0.170 0.000 0.928 270 K CB -0.339 32.074 32.500 -0.144 0.000 0.713 270 K HN 0.431 nan 8.250 nan 0.000 0.442 271 N N 0.578 119.150 118.700 -0.213 0.000 2.084 271 N HA -0.138 4.601 4.740 -0.002 0.000 0.190 271 N C 1.822 177.355 175.510 0.039 0.000 1.030 271 N CA 1.138 54.116 53.050 -0.120 0.000 0.849 271 N CB -0.541 37.843 38.487 -0.172 0.000 1.012 271 N HN 0.113 nan 8.380 nan 0.000 0.423 272 F N 1.356 121.227 119.950 -0.130 0.000 2.095 272 F HA -0.054 4.473 4.527 0.000 0.000 0.298 272 F C 2.347 178.164 175.800 0.029 0.000 1.104 272 F CA 0.387 58.333 58.000 -0.091 0.000 1.232 272 F CB -1.048 37.762 39.000 -0.317 0.000 0.987 272 F HN -0.003 nan 8.300 nan 0.000 0.475 273 I N -1.111 119.594 120.570 0.225 0.000 2.286 273 I HA -0.247 3.922 4.170 -0.002 0.000 0.245 273 I C 2.444 178.629 176.117 0.113 0.000 1.104 273 I CA 1.019 62.443 61.300 0.207 0.000 1.397 273 I CB -0.602 37.493 38.000 0.158 0.000 1.072 273 I HN -0.012 nan 8.210 nan 0.000 0.417 274 S N 0.708 116.448 115.700 0.066 0.000 2.365 274 S HA -0.217 4.252 4.470 -0.002 0.000 0.225 274 S C 2.133 176.757 174.600 0.041 0.000 1.039 274 S CA 1.989 60.210 58.200 0.035 0.000 1.033 274 S CB -0.406 62.799 63.200 0.008 0.000 0.887 274 S HN 0.634 nan 8.310 nan 0.000 0.447 275 S N 0.275 116.013 115.700 0.063 0.000 2.507 275 S HA 0.036 4.505 4.470 -0.002 0.000 0.235 275 S C 1.163 175.792 174.600 0.047 0.000 0.988 275 S CA 0.544 58.776 58.200 0.053 0.000 0.944 275 S CB -0.051 63.192 63.200 0.073 0.000 0.762 275 S HN 0.347 nan 8.310 nan 0.000 0.526 276 Q N -0.437 119.400 119.800 0.062 0.000 2.110 276 Q HA 0.370 4.708 4.340 -0.002 0.000 0.232 276 Q C 0.801 176.820 176.000 0.031 0.000 0.810 276 Q CA -0.197 55.633 55.803 0.044 0.000 1.083 276 Q CB 0.447 29.221 28.738 0.059 0.000 1.193 276 Q HN 0.510 nan 8.270 nan 0.000 0.471 277 M N 0.715 120.331 119.600 0.027 0.000 2.110 277 M HA -0.199 4.280 4.480 -0.002 0.000 0.257 277 M C 1.717 178.013 176.300 -0.008 0.000 1.071 277 M CA 2.256 57.564 55.300 0.015 0.000 1.096 277 M CB -0.631 31.974 32.600 0.007 0.000 1.300 277 M HN 0.115 nan 8.290 nan 0.000 0.411 278 T N 0.486 115.029 114.554 -0.017 0.000 2.652 278 T HA -0.161 4.188 4.350 -0.002 0.000 0.267 278 T C 1.505 176.183 174.700 -0.037 0.000 1.039 278 T CA 1.731 63.812 62.100 -0.033 0.000 1.153 278 T CB -0.657 68.192 68.868 -0.033 0.000 0.863 278 T HN 0.436 nan 8.240 nan 0.000 0.428 279 D N 0.878 121.260 120.400 -0.029 0.000 2.144 279 D HA -0.021 4.618 4.640 -0.002 0.000 0.199 279 D C 2.126 178.400 176.300 -0.044 0.000 0.984 279 D CA 0.978 54.957 54.000 -0.035 0.000 0.834 279 D CB -0.286 40.499 40.800 -0.026 0.000 0.955 279 D HN 0.386 nan 8.370 nan 0.000 0.465 280 M N 0.052 119.633 119.600 -0.031 0.000 2.117 280 M HA -0.148 4.331 4.480 -0.002 0.000 0.262 280 M C 2.533 178.800 176.300 -0.056 0.000 1.065 280 M CA 0.938 56.215 55.300 -0.039 0.000 1.114 280 M CB -0.299 32.296 32.600 -0.007 0.000 1.361 280 M HN 0.097 nan 8.290 nan 0.000 0.408 281 C N 0.497 119.765 119.300 -0.052 0.000 2.413 281 C HA -0.143 4.316 4.460 -0.002 0.000 0.276 281 C C 2.595 177.528 174.990 -0.095 0.000 1.248 281 C CA 0.779 59.755 59.018 -0.070 0.000 1.742 281 C CB -1.115 26.584 27.740 -0.068 0.000 2.017 281 C HN 0.516 nan 8.230 nan 0.000 0.481 282 L N -0.034 121.134 121.223 -0.092 0.000 2.395 282 L HA 0.041 4.379 4.340 -0.002 0.000 0.218 282 L C 0.579 177.368 176.870 -0.135 0.000 1.130 282 L CA 0.440 55.214 54.840 -0.110 0.000 0.826 282 L CB -0.497 41.508 42.059 -0.089 0.000 0.941 282 L HN 0.328 nan 8.230 nan 0.000 0.451 283 D N 0.224 120.547 120.400 -0.128 0.000 2.351 283 D HA -0.038 4.601 4.640 -0.002 0.000 0.251 283 D C 1.268 177.419 176.300 -0.248 0.000 1.137 283 D CA 0.046 53.950 54.000 -0.161 0.000 0.879 283 D CB 0.995 41.734 40.800 -0.103 0.000 1.181 283 D HN -0.083 nan 8.370 nan 0.000 0.448 284 K N 2.715 122.864 120.400 -0.418 0.000 2.152 284 K HA -0.183 4.136 4.320 -0.002 0.000 0.206 284 K C 0.794 177.017 176.600 -0.628 0.000 1.048 284 K CA 1.431 57.348 56.287 -0.616 0.000 0.933 284 K CB -0.013 31.928 32.500 -0.933 0.000 0.721 284 K HN 0.498 nan 8.250 nan 0.000 0.447 285 F N -0.381 119.482 119.950 -0.144 0.000 2.383 285 F HA 0.265 4.789 4.527 -0.006 0.000 0.287 285 F C 2.323 178.015 175.800 -0.181 0.000 1.069 285 F CA 0.397 58.290 58.000 -0.177 0.000 1.402 285 F CB -0.682 38.208 39.000 -0.183 0.000 1.116 285 F HN -0.012 nan 8.300 nan 0.000 0.549 286 A N 0.123 122.938 122.820 -0.007 0.000 2.015 286 A HA -0.189 4.130 4.320 -0.002 0.000 0.219 286 A C 2.275 179.816 177.584 -0.072 0.000 1.163 286 A CA 1.501 53.498 52.037 -0.067 0.000 0.646 286 A CB -1.590 17.360 19.000 -0.083 0.000 0.806 286 A HN 0.644 nan 8.150 nan 0.000 0.448 287 C N -0.749 118.497 119.300 -0.090 0.000 2.410 287 C HA -0.025 4.434 4.460 -0.002 0.000 0.281 287 C C 2.495 177.437 174.990 -0.079 0.000 1.318 287 C CA 0.829 59.796 59.018 -0.085 0.000 1.776 287 C CB -1.254 26.423 27.740 -0.105 0.000 1.942 287 C HN 0.513 nan 8.230 nan 0.000 0.508 288 R N 1.178 121.623 120.500 -0.093 0.000 2.090 288 R HA 0.044 4.382 4.340 -0.002 0.000 0.228 288 R C 2.332 178.586 176.300 -0.077 0.000 1.110 288 R CA 1.266 57.305 56.100 -0.102 0.000 0.973 288 R CB -1.044 29.169 30.300 -0.146 0.000 0.869 288 R HN 0.584 nan 8.270 nan 0.000 0.440 289 V N 1.810 121.684 119.914 -0.065 0.000 2.358 289 V HA -0.201 3.918 4.120 -0.002 0.000 0.246 289 V C 2.474 178.576 176.094 0.013 0.000 1.047 289 V CA 1.304 63.591 62.300 -0.023 0.000 1.035 289 V CB -0.414 31.390 31.823 -0.032 0.000 0.658 289 V HN 0.104 nan 8.190 nan 0.000 0.452 290 I N 0.116 120.687 120.570 0.002 0.000 2.151 290 I HA -0.306 3.863 4.170 -0.002 0.000 0.243 290 I C 2.591 178.702 176.117 -0.009 0.000 1.080 290 I CA 1.841 63.145 61.300 0.008 0.000 1.339 290 I CB -1.321 36.673 38.000 -0.011 0.000 1.039 290 I HN 0.457 nan 8.210 nan 0.000 0.409 291 Q N 0.517 120.300 119.800 -0.028 0.000 2.046 291 Q HA -0.156 4.183 4.340 -0.002 0.000 0.200 291 Q C 2.388 178.374 176.000 -0.024 0.000 0.975 291 Q CA 2.239 58.021 55.803 -0.035 0.000 0.836 291 Q CB -0.162 28.546 28.738 -0.049 0.000 0.896 291 Q HN 0.617 nan 8.270 nan 0.000 0.428 292 S N 0.133 115.821 115.700 -0.019 0.000 2.402 292 S HA -0.089 4.380 4.470 -0.002 0.000 0.229 292 S C 2.099 176.701 174.600 0.003 0.000 1.021 292 S CA 1.184 59.380 58.200 -0.006 0.000 0.974 292 S CB -0.208 62.992 63.200 -0.001 0.000 0.800 292 S HN 0.121 nan 8.310 nan 0.000 0.484 293 S N 2.449 118.155 115.700 0.010 0.000 2.355 293 S HA 0.095 4.564 4.470 -0.002 0.000 0.222 293 S C 1.821 176.421 174.600 0.001 0.000 1.031 293 S CA 1.197 59.404 58.200 0.010 0.000 0.993 293 S CB -0.648 62.568 63.200 0.027 0.000 0.859 293 S HN 0.410 nan 8.310 nan 0.000 0.453 294 L N 1.620 122.842 121.223 -0.002 0.000 2.043 294 L HA -0.246 4.093 4.340 -0.002 0.000 0.212 294 L C 2.864 179.732 176.870 -0.003 0.000 1.075 294 L CA 1.807 56.643 54.840 -0.005 0.000 0.752 294 L CB -0.582 41.465 42.059 -0.020 0.000 0.891 294 L HN 0.528 nan 8.230 nan 0.000 0.432 295 Q N -1.606 118.192 119.800 -0.005 0.000 2.376 295 Q HA -0.041 4.298 4.340 -0.002 0.000 0.206 295 Q C 1.351 177.356 176.000 0.009 0.000 0.921 295 Q CA 0.698 56.501 55.803 0.000 0.000 0.911 295 Q CB 0.081 28.816 28.738 -0.006 0.000 1.032 295 Q HN 0.438 nan 8.270 nan 0.000 0.510 296 N N 0.137 118.843 118.700 0.009 0.000 2.432 296 N HA 0.160 4.899 4.740 -0.002 0.000 0.174 296 N C 0.446 175.965 175.510 0.014 0.000 1.037 296 N CA 0.320 53.379 53.050 0.015 0.000 0.892 296 N CB 0.215 38.712 38.487 0.016 0.000 1.049 296 N HN 0.229 nan 8.380 nan 0.000 0.442 297 M N 1.416 121.017 119.600 0.001 0.000 2.250 297 M HA 0.001 4.480 4.480 -0.002 0.000 0.325 297 M C -0.096 176.214 176.300 0.018 0.000 1.084 297 M CA 0.051 55.346 55.300 -0.008 0.000 1.161 297 M CB 0.322 32.905 32.600 -0.028 0.000 1.481 297 M HN -0.064 nan 8.290 nan 0.000 0.449 298 D N 1.661 122.081 120.400 0.034 0.000 2.548 298 D HA -0.078 4.561 4.640 -0.002 0.000 0.231 298 D C 0.782 177.100 176.300 0.030 0.000 1.142 298 D CA 0.055 54.084 54.000 0.049 0.000 0.866 298 D CB 0.597 41.442 40.800 0.075 0.000 1.190 298 D HN 0.439 nan 8.370 nan 0.000 0.469 299 L N 3.059 124.302 121.223 0.033 0.000 2.042 299 L HA -0.237 4.102 4.340 -0.002 0.000 0.210 299 L C 2.332 179.221 176.870 0.030 0.000 1.076 299 L CA 2.000 56.860 54.840 0.033 0.000 0.749 299 L CB -0.771 41.309 42.059 0.035 0.000 0.893 299 L HN 0.536 nan 8.230 nan 0.000 0.432 300 S N -1.613 114.103 115.700 0.026 0.000 2.399 300 S HA -0.133 4.336 4.470 -0.002 0.000 0.231 300 S C 1.921 176.527 174.600 0.011 0.000 1.022 300 S CA 1.014 59.226 58.200 0.020 0.000 0.983 300 S CB -0.594 62.616 63.200 0.017 0.000 0.803 300 S HN 0.344 nan 8.310 nan 0.000 0.480 301 L N 1.401 122.626 121.223 0.004 0.000 2.162 301 L HA 0.250 4.589 4.340 -0.002 0.000 0.205 301 L C 3.083 179.949 176.870 -0.008 0.000 1.086 301 L CA 1.485 56.315 54.840 -0.016 0.000 0.778 301 L CB -1.921 40.112 42.059 -0.043 0.000 0.928 301 L HN 0.476 nan 8.230 nan 0.000 0.446 302 A N -0.704 122.119 122.820 0.005 0.000 1.940 302 A HA -0.231 4.088 4.320 -0.002 0.000 0.219 302 A C 2.500 180.105 177.584 0.035 0.000 1.176 302 A CA 1.818 53.864 52.037 0.015 0.000 0.631 302 A CB -0.999 18.013 19.000 0.020 0.000 0.814 302 A HN 0.515 nan 8.150 nan 0.000 0.446 303 C N -0.606 118.721 119.300 0.044 0.000 2.422 303 C HA -0.057 4.402 4.460 -0.002 0.000 0.279 303 C C 2.610 177.636 174.990 0.059 0.000 1.305 303 C CA 1.215 60.275 59.018 0.068 0.000 1.757 303 C CB -1.013 26.765 27.740 0.064 0.000 1.962 303 C HN 0.602 nan 8.230 nan 0.000 0.499 304 K N 0.577 120.994 120.400 0.029 0.000 2.217 304 K HA 0.017 4.336 4.320 -0.002 0.000 0.202 304 K C 1.835 178.445 176.600 0.016 0.000 1.051 304 K CA 0.835 57.130 56.287 0.014 0.000 0.952 304 K CB -0.173 32.321 32.500 -0.009 0.000 0.736 304 K HN 0.505 nan 8.250 nan 0.000 0.453 305 L N 0.701 121.936 121.223 0.020 0.000 2.046 305 L HA -0.185 4.154 4.340 -0.002 0.000 0.208 305 L C 2.277 179.176 176.870 0.048 0.000 1.077 305 L CA 1.073 55.927 54.840 0.024 0.000 0.747 305 L CB -0.582 41.489 42.059 0.019 0.000 0.896 305 L HN -0.006 nan 8.230 nan 0.000 0.432 306 V N -0.373 119.589 119.914 0.081 0.000 2.427 306 V HA -0.274 3.845 4.120 -0.002 0.000 0.248 306 V C 2.434 178.641 176.094 0.188 0.000 1.051 306 V CA 1.522 63.915 62.300 0.155 0.000 1.048 306 V CB -0.607 31.340 31.823 0.207 0.000 0.666 306 V HN 0.524 nan 8.190 nan 0.000 0.456 307 Q N 0.298 120.155 119.800 0.094 0.000 2.170 307 Q HA -0.127 4.212 4.340 -0.002 0.000 0.203 307 Q C 2.257 178.217 176.000 -0.067 0.000 0.976 307 Q CA 1.604 57.397 55.803 -0.017 0.000 0.858 307 Q CB -0.396 28.326 28.738 -0.028 0.000 0.907 307 Q HN 0.661 nan 8.270 nan 0.000 0.433 308 A N 0.644 123.455 122.820 -0.016 0.000 2.239 308 A HA 0.039 4.357 4.320 -0.002 0.000 0.209 308 A C 0.879 178.451 177.584 -0.021 0.000 1.171 308 A CA 0.099 52.121 52.037 -0.024 0.000 0.768 308 A CB -0.360 18.638 19.000 -0.004 0.000 0.790 308 A HN 0.206 nan 8.150 nan 0.000 0.478 309 L N 0.921 122.151 121.223 0.012 0.000 2.483 309 L HA 0.161 4.500 4.340 -0.002 0.000 0.276 309 L C -2.024 174.821 176.870 -0.042 0.000 1.213 309 L CA -1.659 53.197 54.840 0.027 0.000 0.843 309 L CB 0.354 42.515 42.059 0.170 0.000 1.107 309 L HN 0.106 nan 8.230 nan 0.000 0.487 310 P HA 0.154 nan 4.420 nan 0.000 0.274 310 P C -0.457 176.764 177.300 -0.131 0.000 1.237 310 P CA -0.375 62.671 63.100 -0.089 0.000 0.793 310 P CB 0.604 32.254 31.700 -0.083 0.000 0.977 311 R N 0.306 120.744 120.500 -0.104 0.000 2.509 311 R HA 0.193 4.531 4.340 -0.002 0.000 0.297 311 R C 0.218 176.570 176.300 0.087 0.000 0.951 311 R CA 0.084 56.144 56.100 -0.066 0.000 1.103 311 R CB -0.445 29.843 30.300 -0.020 0.000 1.283 311 R HN 0.578 nan 8.270 nan 0.000 0.534 312 D N -0.338 120.093 120.400 0.052 0.000 2.570 312 D HA 0.248 4.887 4.640 -0.002 0.000 0.266 312 D C 1.139 177.539 176.300 0.167 0.000 1.182 312 D CA -0.313 53.777 54.000 0.149 0.000 1.088 312 D CB -0.189 40.660 40.800 0.082 0.000 1.186 312 D HN -0.169 nan 8.370 nan 0.000 0.618 313 A N -0.615 122.289 122.820 0.140 0.000 2.076 313 A HA -0.200 4.119 4.320 -0.002 0.000 0.220 313 A C 2.146 179.770 177.584 0.067 0.000 1.160 313 A CA 1.440 53.553 52.037 0.127 0.000 0.653 313 A CB -0.801 18.255 19.000 0.093 0.000 0.801 313 A HN 0.488 nan 8.150 nan 0.000 0.455 314 R N -1.341 119.169 120.500 0.017 0.000 2.120 314 R HA -0.115 4.224 4.340 -0.002 0.000 0.234 314 R C 1.990 178.243 176.300 -0.079 0.000 1.123 314 R CA 1.298 57.382 56.100 -0.028 0.000 0.975 314 R CB -0.491 29.787 30.300 -0.036 0.000 0.866 314 R HN 0.476 nan 8.270 nan 0.000 0.446 315 L N 1.184 122.307 121.223 -0.168 0.000 2.046 315 L HA -0.139 4.200 4.340 -0.002 0.000 0.208 315 L C 1.957 178.728 176.870 -0.166 0.000 1.077 315 L CA 1.601 56.236 54.840 -0.341 0.000 0.747 315 L CB -0.315 41.166 42.059 -0.963 0.000 0.896 315 L HN 0.134 nan 8.230 nan 0.000 0.432 316 I N -0.567 120.027 120.570 0.039 0.000 2.118 316 I HA -0.374 3.795 4.170 -0.002 0.000 0.241 316 I C 2.589 178.723 176.117 0.027 0.000 1.070 316 I CA 1.419 62.789 61.300 0.117 0.000 1.327 316 I CB -0.806 37.282 38.000 0.146 0.000 1.034 316 I HN 0.355 nan 8.210 nan 0.000 0.405 317 A N 0.963 123.787 122.820 0.006 0.000 1.948 317 A HA -0.210 4.108 4.320 -0.002 0.000 0.220 317 A C 2.313 179.867 177.584 -0.050 0.000 1.177 317 A CA 1.680 53.707 52.037 -0.017 0.000 0.636 317 A CB -0.859 18.130 19.000 -0.019 0.000 0.815 317 A HN 0.423 nan 8.150 nan 0.000 0.449 318 I N -0.706 119.821 120.570 -0.073 0.000 2.179 318 I HA -0.315 3.854 4.170 -0.002 0.000 0.242 318 I C 2.439 178.490 176.117 -0.110 0.000 1.088 318 I CA 1.251 62.491 61.300 -0.101 0.000 1.357 318 I CB -0.468 37.463 38.000 -0.115 0.000 1.051 318 I HN 0.383 nan 8.210 nan 0.000 0.409 319 C N 0.129 119.375 119.300 -0.089 0.000 2.410 319 C HA -0.088 4.371 4.460 -0.002 0.000 0.281 319 C C 2.512 177.464 174.990 -0.064 0.000 1.318 319 C CA 0.965 59.934 59.018 -0.081 0.000 1.776 319 C CB -1.002 26.718 27.740 -0.035 0.000 1.942 319 C HN 0.579 nan 8.230 nan 0.000 0.508 320 V N -1.753 118.139 119.914 -0.036 0.000 3.621 320 V HA 0.224 4.343 4.120 -0.002 0.000 0.285 320 V C 0.107 176.204 176.094 0.005 0.000 1.346 320 V CA 0.303 62.610 62.300 0.012 0.000 1.104 320 V CB -0.553 31.283 31.823 0.022 0.000 0.913 320 V HN 0.363 nan 8.190 nan 0.000 0.432 321 D N 1.171 121.504 120.400 -0.111 0.000 2.304 321 D HA 0.168 4.807 4.640 -0.002 0.000 0.250 321 D C 1.617 177.630 176.300 -0.479 0.000 1.107 321 D CA 0.186 54.065 54.000 -0.201 0.000 0.885 321 D CB 1.449 42.148 40.800 -0.168 0.000 1.192 321 D HN 0.493 nan 8.370 nan 0.000 0.436 322 Q N 2.562 121.958 119.800 -0.673 0.000 2.226 322 Q HA -0.193 4.145 4.340 -0.002 0.000 0.204 322 Q C 0.570 176.239 176.000 -0.551 0.000 0.975 322 Q CA 1.076 56.193 55.803 -1.144 0.000 0.866 322 Q CB -0.044 28.268 28.738 -0.709 0.000 0.915 322 Q HN 0.400 nan 8.270 nan 0.000 0.440 323 N N 1.210 119.712 118.700 -0.330 0.000 2.333 323 N HA 0.065 4.804 4.740 -0.002 0.000 0.183 323 N C 1.842 177.269 175.510 -0.138 0.000 1.030 323 N CA 1.209 54.151 53.050 -0.180 0.000 0.867 323 N CB -0.393 37.971 38.487 -0.204 0.000 1.027 323 N HN 0.337 nan 8.380 nan 0.000 0.435 324 A N 2.615 125.326 122.820 -0.182 0.000 2.015 324 A HA -0.150 4.169 4.320 -0.002 0.000 0.219 324 A C 1.931 179.408 177.584 -0.179 0.000 1.163 324 A CA 1.315 53.261 52.037 -0.152 0.000 0.646 324 A CB -0.823 18.094 19.000 -0.139 0.000 0.806 324 A HN 0.551 nan 8.150 nan 0.000 0.448 325 N N -0.537 118.003 118.700 -0.267 0.000 2.205 325 N HA -0.254 4.485 4.740 -0.002 0.000 0.186 325 N C 1.279 176.590 175.510 -0.331 0.000 1.015 325 N CA 1.627 54.491 53.050 -0.311 0.000 0.862 325 N CB -0.826 37.441 38.487 -0.366 0.000 0.986 325 N HN 0.652 nan 8.380 nan 0.000 0.429 326 H N 0.210 119.178 119.070 -0.171 0.000 2.491 326 H HA 0.056 4.610 4.556 -0.003 0.000 0.290 326 H C 2.174 177.414 175.328 -0.146 0.000 1.050 326 H CA 0.749 56.707 56.048 -0.150 0.000 1.309 326 H CB 0.272 29.948 29.762 -0.143 0.000 1.392 326 H HN 0.147 nan 8.280 nan 0.000 0.554 327 V N 1.190 121.070 119.914 -0.055 0.000 2.323 327 V HA -0.191 3.928 4.120 -0.002 0.000 0.244 327 V C 2.554 178.565 176.094 -0.139 0.000 1.041 327 V CA 0.996 63.245 62.300 -0.085 0.000 1.025 327 V CB -0.255 31.517 31.823 -0.084 0.000 0.656 327 V HN 0.268 nan 8.190 nan 0.000 0.451 328 I N 0.107 120.573 120.570 -0.173 0.000 2.226 328 I HA -0.238 3.930 4.170 -0.002 0.000 0.245 328 I C 2.571 178.513 176.117 -0.292 0.000 1.100 328 I CA 1.568 62.726 61.300 -0.236 0.000 1.374 328 I CB -1.396 36.469 38.000 -0.225 0.000 1.057 328 I HN 0.449 nan 8.210 nan 0.000 0.413 329 Q N 0.389 120.050 119.800 -0.232 0.000 2.124 329 Q HA -0.241 4.098 4.340 -0.002 0.000 0.202 329 Q C 2.187 178.062 176.000 -0.210 0.000 0.977 329 Q CA 1.429 57.099 55.803 -0.222 0.000 0.850 329 Q CB -0.126 28.522 28.738 -0.150 0.000 0.901 329 Q HN 0.298 nan 8.270 nan 0.000 0.429 330 K N 0.758 121.061 120.400 -0.160 0.000 2.057 330 K HA -0.097 4.222 4.320 -0.002 0.000 0.206 330 K C 1.840 178.324 176.600 -0.193 0.000 1.050 330 K CA 0.906 57.111 56.287 -0.136 0.000 0.935 330 K CB -0.332 32.115 32.500 -0.087 0.000 0.715 330 K HN -0.022 nan 8.250 nan 0.000 0.439 331 V N 0.296 120.055 119.914 -0.257 0.000 2.255 331 V HA -0.265 3.854 4.120 -0.002 0.000 0.247 331 V C 2.253 177.995 176.094 -0.587 0.000 1.051 331 V CA 1.941 64.037 62.300 -0.341 0.000 1.018 331 V CB -0.444 31.157 31.823 -0.370 0.000 0.641 331 V HN 0.182 nan 8.190 nan 0.000 0.445 332 V N 0.195 119.617 119.914 -0.820 0.000 2.453 332 V HA -0.296 3.823 4.120 -0.002 0.000 0.252 332 V C 2.570 178.435 176.094 -0.381 0.000 1.068 332 V CA 2.108 63.798 62.300 -1.017 0.000 1.070 332 V CB -1.118 30.206 31.823 -0.832 0.000 0.664 332 V HN 0.587 nan 8.190 nan 0.000 0.461 333 A N 0.002 122.675 122.820 -0.244 0.000 1.930 333 A HA -0.000 4.319 4.320 -0.002 0.000 0.215 333 A C 2.068 179.630 177.584 -0.038 0.000 1.176 333 A CA 1.765 53.740 52.037 -0.102 0.000 0.632 333 A CB -0.158 18.790 19.000 -0.087 0.000 0.819 333 A HN 0.777 nan 8.150 nan 0.000 0.445 334 V N -3.940 115.945 119.914 -0.048 0.000 3.477 334 V HA 0.429 4.548 4.120 -0.002 0.000 0.297 334 V C -0.068 176.057 176.094 0.052 0.000 1.433 334 V CA -0.543 61.760 62.300 0.005 0.000 1.052 334 V CB -0.032 31.786 31.823 -0.007 0.000 0.895 334 V HN 0.182 nan 8.190 nan 0.000 0.438 335 I N 2.032 122.657 120.570 0.091 0.000 2.441 335 I HA 0.612 4.781 4.170 -0.002 0.000 0.295 335 I C -2.671 173.676 176.117 0.384 0.000 0.994 335 I CA -2.575 58.847 61.300 0.203 0.000 1.144 335 I CB 1.506 39.639 38.000 0.223 0.000 1.314 335 I HN 0.052 nan 8.210 nan 0.000 0.445 336 P HA 0.073 nan 4.420 nan 0.000 0.269 336 P C 0.889 178.187 177.300 -0.004 0.000 1.215 336 P CA -0.402 62.786 63.100 0.146 0.000 0.780 336 P CB 0.851 32.586 31.700 0.058 0.000 0.898 337 L N 2.777 123.842 121.223 -0.262 0.000 2.079 337 L HA -0.183 4.155 4.340 -0.002 0.000 0.210 337 L C 1.959 178.375 176.870 -0.756 0.000 1.081 337 L CA 2.058 56.323 54.840 -0.958 0.000 0.752 337 L CB -0.997 40.635 42.059 -0.712 0.000 0.896 337 L HN 0.182 nan 8.230 nan 0.000 0.433 338 K N 0.496 120.696 120.400 -0.334 0.000 2.074 338 K HA -0.185 4.134 4.320 -0.002 0.000 0.209 338 K C 1.870 178.405 176.600 -0.109 0.000 1.048 338 K CA 1.798 57.975 56.287 -0.185 0.000 0.926 338 K CB -0.676 31.773 32.500 -0.086 0.000 0.713 338 K HN 0.566 nan 8.250 nan 0.000 0.444 339 N N -0.105 118.565 118.700 -0.049 0.000 2.309 339 N HA -0.127 4.612 4.740 -0.002 0.000 0.182 339 N C 1.131 176.796 175.510 0.259 0.000 1.018 339 N CA 1.286 54.413 53.050 0.129 0.000 0.876 339 N CB 0.000 38.595 38.487 0.179 0.000 0.972 339 N HN 0.516 nan 8.380 nan 0.000 0.434 340 W N 0.660 121.953 121.300 -0.011 0.000 2.818 340 W HA 0.402 5.061 4.660 -0.001 0.000 0.403 340 W C 0.836 177.149 176.519 -0.343 0.000 0.991 340 W CA -0.435 56.738 57.345 -0.288 0.000 1.925 340 W CB -0.710 28.576 29.460 -0.290 0.000 1.166 340 W HN -0.040 nan 8.180 nan 0.000 0.605 341 E N 1.848 121.860 120.200 -0.313 0.000 2.209 341 E HA -0.253 4.096 4.350 -0.002 0.000 0.196 341 E C 1.876 178.446 176.600 -0.050 0.000 0.993 341 E CA 2.398 58.648 56.400 -0.250 0.000 0.819 341 E CB -0.559 29.033 29.700 -0.179 0.000 0.745 341 E HN 0.340 nan 8.360 nan 0.000 0.477 342 F N -0.665 119.312 119.950 0.046 0.000 2.333 342 F HA -0.038 4.488 4.527 -0.003 0.000 0.300 342 F C 1.695 177.584 175.800 0.149 0.000 1.083 342 F CA 0.603 58.655 58.000 0.086 0.000 1.395 342 F CB -0.341 38.698 39.000 0.065 0.000 1.056 342 F HN -0.039 nan 8.300 nan 0.000 0.529 343 I N 0.204 120.478 120.570 -0.493 0.000 2.406 343 I HA -0.173 3.996 4.170 -0.002 0.000 0.249 343 I C 2.379 178.542 176.117 0.076 0.000 1.122 343 I CA 0.686 61.846 61.300 -0.234 0.000 1.431 343 I CB -0.508 37.291 38.000 -0.334 0.000 1.087 343 I HN 0.068 nan 8.210 nan 0.000 0.424 344 V N 1.184 121.148 119.914 0.084 0.000 2.255 344 V HA -0.318 3.801 4.120 -0.002 0.000 0.247 344 V C 2.100 178.261 176.094 0.112 0.000 1.051 344 V CA 2.140 64.501 62.300 0.103 0.000 1.018 344 V CB -0.708 31.138 31.823 0.038 0.000 0.641 344 V HN 0.415 nan 8.190 nan 0.000 0.445 345 D N -0.719 119.753 120.400 0.121 0.000 2.144 345 D HA -0.170 4.469 4.640 -0.002 0.000 0.199 345 D C 1.911 178.330 176.300 0.199 0.000 0.984 345 D CA 1.265 55.346 54.000 0.134 0.000 0.834 345 D CB -0.350 40.533 40.800 0.138 0.000 0.955 345 D HN 0.466 nan 8.370 nan 0.000 0.465 346 F N 1.631 121.654 119.950 0.121 0.000 2.069 346 F HA -0.239 4.287 4.527 -0.002 0.000 0.298 346 F C 2.261 178.171 175.800 0.184 0.000 1.113 346 F CA 1.198 59.293 58.000 0.158 0.000 1.214 346 F CB -0.179 38.876 39.000 0.091 0.000 0.978 346 F HN -0.228 nan 8.300 nan 0.000 0.474 347 V N 0.272 120.370 119.914 0.307 0.000 2.515 347 V HA -0.254 3.865 4.120 -0.002 0.000 0.250 347 V C 2.590 178.735 176.094 0.085 0.000 1.058 347 V CA 1.601 64.014 62.300 0.189 0.000 1.064 347 V CB -1.306 30.614 31.823 0.161 0.000 0.675 347 V HN 0.488 nan 8.190 nan 0.000 0.461 348 A N -1.032 121.829 122.820 0.068 0.000 2.119 348 A HA -0.064 4.255 4.320 -0.002 0.000 0.217 348 A C 1.453 179.026 177.584 -0.019 0.000 1.153 348 A CA 0.890 52.940 52.037 0.022 0.000 0.692 348 A CB -0.617 18.396 19.000 0.021 0.000 0.799 348 A HN 0.464 nan 8.150 nan 0.000 0.458 349 T N 2.184 116.713 114.554 -0.041 0.000 2.867 349 T HA 0.186 4.535 4.350 -0.002 0.000 0.297 349 T C -1.416 173.163 174.700 -0.201 0.000 0.989 349 T CA -0.512 61.492 62.100 -0.161 0.000 1.159 349 T CB 0.903 69.587 68.868 -0.307 0.000 0.928 349 T HN 0.147 nan 8.240 nan 0.000 0.538 350 P HA -0.190 nan 4.420 nan 0.000 0.217 350 P C 1.492 178.708 177.300 -0.140 0.000 1.162 350 P CA 1.021 64.047 63.100 -0.123 0.000 0.901 350 P CB 0.266 31.902 31.700 -0.107 0.000 0.793 351 E N -1.350 118.711 120.200 -0.231 0.000 2.152 351 E HA -0.182 4.167 4.350 -0.002 0.000 0.192 351 E C 1.867 178.398 176.600 -0.114 0.000 0.983 351 E CA 1.442 57.733 56.400 -0.183 0.000 0.818 351 E CB -0.813 28.761 29.700 -0.210 0.000 0.758 351 E HN 0.441 nan 8.360 nan 0.000 0.467 352 H N -0.924 118.054 119.070 -0.154 0.000 2.357 352 H HA -0.052 4.503 4.556 -0.002 0.000 0.301 352 H C 1.959 177.241 175.328 -0.078 0.000 1.082 352 H CA 0.868 56.812 56.048 -0.174 0.000 1.342 352 H CB 0.056 29.559 29.762 -0.432 0.000 1.389 352 H HN 0.125 nan 8.280 nan 0.000 0.511 353 L N 1.238 122.485 121.223 0.040 0.000 2.012 353 L HA -0.184 4.155 4.340 -0.002 0.000 0.210 353 L C 2.536 179.420 176.870 0.023 0.000 1.073 353 L CA 1.536 56.394 54.840 0.029 0.000 0.748 353 L CB -0.460 41.600 42.059 0.002 0.000 0.891 353 L HN 0.099 nan 8.230 nan 0.000 0.431 354 R N -0.887 119.616 120.500 0.006 0.000 2.094 354 R HA -0.245 4.093 4.340 -0.002 0.000 0.239 354 R C 2.297 178.612 176.300 0.024 0.000 1.137 354 R CA 2.393 58.498 56.100 0.008 0.000 0.943 354 R CB -0.335 29.961 30.300 -0.006 0.000 0.850 354 R HN 0.570 nan 8.270 nan 0.000 0.433 355 Q N -0.223 119.600 119.800 0.038 0.000 2.079 355 Q HA -0.130 4.209 4.340 -0.002 0.000 0.200 355 Q C 2.237 178.264 176.000 0.044 0.000 0.974 355 Q CA 1.706 57.538 55.803 0.047 0.000 0.840 355 Q CB -0.028 28.751 28.738 0.068 0.000 0.898 355 Q HN 0.453 nan 8.270 nan 0.000 0.430 356 I N -0.296 120.305 120.570 0.052 0.000 2.286 356 I HA -0.254 3.915 4.170 -0.002 0.000 0.245 356 I C 2.236 178.361 176.117 0.013 0.000 1.104 356 I CA 0.539 61.861 61.300 0.038 0.000 1.397 356 I CB -0.211 37.825 38.000 0.061 0.000 1.072 356 I HN 0.256 nan 8.210 nan 0.000 0.417 357 C N 0.530 119.844 119.300 0.023 0.000 2.432 357 C HA -0.074 4.384 4.460 -0.002 0.000 0.280 357 C C 2.577 177.594 174.990 0.044 0.000 1.353 357 C CA 1.188 60.220 59.018 0.023 0.000 1.766 357 C CB -1.222 26.533 27.740 0.024 0.000 1.924 357 C HN 0.599 nan 8.230 nan 0.000 0.509 358 S N -0.615 115.115 115.700 0.050 0.000 2.618 358 S HA 0.197 4.665 4.470 -0.002 0.000 0.242 358 S C -0.581 174.108 174.600 0.148 0.000 0.972 358 S CA -0.248 58.012 58.200 0.100 0.000 1.004 358 S CB -0.340 62.892 63.200 0.054 0.000 0.778 358 S HN 0.671 nan 8.310 nan 0.000 0.459 359 D N 0.835 121.235 120.400 0.000 0.000 2.457 359 D HA 0.322 4.961 4.640 -0.002 0.000 0.240 359 D C 1.131 177.033 176.300 -0.663 0.000 1.041 359 D CA -0.869 53.002 54.000 -0.214 0.000 0.861 359 D CB 1.440 42.171 40.800 -0.114 0.000 1.394 359 D HN 0.070 nan 8.370 nan 0.000 0.473 360 K N 1.647 121.319 120.400 -1.214 0.000 2.097 360 K HA -0.190 4.128 4.320 -0.002 0.000 0.206 360 K C 0.763 176.862 176.600 -0.835 0.000 1.049 360 K CA 1.334 56.740 56.287 -1.467 0.000 0.933 360 K CB -0.263 31.409 32.500 -1.380 0.000 0.717 360 K HN 0.476 nan 8.250 nan 0.000 0.442 361 Y N 1.409 121.484 120.300 -0.376 0.000 2.347 361 Y HA 0.179 4.728 4.550 -0.002 0.000 0.294 361 Y C 2.869 178.622 175.900 -0.244 0.000 1.117 361 Y CA 0.824 58.754 58.100 -0.283 0.000 1.184 361 Y CB -0.719 37.593 38.460 -0.246 0.000 1.047 361 Y HN 0.211 nan 8.280 nan 0.000 0.546 362 G N -0.372 108.378 108.800 -0.083 0.000 2.408 362 G HA2 -0.264 3.694 3.960 -0.002 0.000 0.217 362 G HA3 -0.264 3.694 3.960 -0.002 0.000 0.217 362 G C 1.745 176.598 174.900 -0.078 0.000 1.150 362 G CA 1.230 46.290 45.100 -0.067 0.000 0.776 362 G HN 0.594 nan 8.290 nan 0.000 0.542 363 C N 0.021 119.258 119.300 -0.105 0.000 2.435 363 C HA 0.222 4.681 4.460 -0.002 0.000 0.279 363 C C 2.640 177.582 174.990 -0.081 0.000 1.321 363 C CA 0.918 59.900 59.018 -0.060 0.000 1.752 363 C CB -0.830 26.908 27.740 -0.003 0.000 1.959 363 C HN 0.322 nan 8.230 nan 0.000 0.500 364 R N 1.900 122.327 120.500 -0.121 0.000 2.075 364 R HA 0.008 4.347 4.340 -0.002 0.000 0.232 364 R C 2.041 178.263 176.300 -0.129 0.000 1.126 364 R CA 2.094 58.117 56.100 -0.129 0.000 0.963 364 R CB -1.274 28.945 30.300 -0.134 0.000 0.858 364 R HN 0.450 nan 8.270 nan 0.000 0.435 365 V N -0.077 119.760 119.914 -0.127 0.000 2.287 365 V HA -0.241 3.878 4.120 -0.002 0.000 0.248 365 V C 2.346 178.374 176.094 -0.110 0.000 1.053 365 V CA 1.925 64.144 62.300 -0.134 0.000 1.027 365 V CB -0.492 31.254 31.823 -0.128 0.000 0.646 365 V HN 0.177 nan 8.190 nan 0.000 0.447 366 V N -0.453 119.415 119.914 -0.078 0.000 2.343 366 V HA -0.331 3.788 4.120 -0.002 0.000 0.247 366 V C 2.411 178.459 176.094 -0.077 0.000 1.051 366 V CA 2.375 64.643 62.300 -0.053 0.000 1.036 366 V CB -0.633 31.175 31.823 -0.025 0.000 0.654 366 V HN 0.622 nan 8.190 nan 0.000 0.451 367 Q N -0.400 119.333 119.800 -0.111 0.000 2.084 367 Q HA -0.207 4.132 4.340 -0.002 0.000 0.202 367 Q C 2.258 178.134 176.000 -0.207 0.000 0.978 367 Q CA 2.147 57.834 55.803 -0.193 0.000 0.844 367 Q CB -0.163 28.434 28.738 -0.234 0.000 0.898 367 Q HN 0.639 nan 8.270 nan 0.000 0.426 368 T N 1.183 115.640 114.554 -0.162 0.000 2.720 368 T HA -0.140 4.209 4.350 -0.002 0.000 0.268 368 T C 1.747 176.378 174.700 -0.114 0.000 1.037 368 T CA 1.366 63.380 62.100 -0.144 0.000 1.144 368 T CB -0.167 68.609 68.868 -0.153 0.000 0.864 368 T HN 0.282 nan 8.240 nan 0.000 0.444 369 I N 0.412 120.923 120.570 -0.098 0.000 2.179 369 I HA -0.141 4.028 4.170 -0.002 0.000 0.242 369 I C 2.226 178.367 176.117 0.040 0.000 1.088 369 I CA 1.302 62.594 61.300 -0.014 0.000 1.357 369 I CB -0.369 37.645 38.000 0.022 0.000 1.051 369 I HN 0.216 nan 8.210 nan 0.000 0.409 370 I N 0.659 121.221 120.570 -0.013 0.000 2.163 370 I HA -0.318 3.851 4.170 -0.002 0.000 0.243 370 I C 2.451 178.586 176.117 0.030 0.000 1.085 370 I CA 1.632 62.932 61.300 0.000 0.000 1.347 370 I CB -0.404 37.588 38.000 -0.012 0.000 1.044 370 I HN 0.252 nan 8.210 nan 0.000 0.408 371 E N 0.509 120.700 120.200 -0.015 0.000 2.077 371 E HA -0.291 4.058 4.350 -0.002 0.000 0.193 371 E C 2.068 178.703 176.600 0.058 0.000 0.989 371 E CA 1.217 57.636 56.400 0.031 0.000 0.800 371 E CB -0.081 29.602 29.700 -0.028 0.000 0.746 371 E HN 0.183 nan 8.360 nan 0.000 0.452 372 K N 1.132 121.570 120.400 0.063 0.000 2.211 372 K HA -0.075 4.244 4.320 -0.002 0.000 0.203 372 K C 1.509 178.191 176.600 0.137 0.000 1.050 372 K CA 0.946 57.304 56.287 0.119 0.000 0.945 372 K CB -0.038 32.569 32.500 0.178 0.000 0.732 372 K HN 0.093 nan 8.250 nan 0.000 0.451 373 L N 0.691 121.984 121.223 0.117 0.000 2.612 373 L HA 0.118 4.457 4.340 -0.002 0.000 0.230 373 L C -0.027 176.874 176.870 0.051 0.000 1.140 373 L CA -0.068 54.815 54.840 0.072 0.000 0.896 373 L CB -0.032 42.054 42.059 0.045 0.000 1.065 373 L HN -0.029 nan 8.230 nan 0.000 0.447 374 T N 0.695 115.289 114.554 0.066 0.000 2.837 374 T HA 0.438 4.786 4.350 -0.002 0.000 0.285 374 T C 0.507 175.245 174.700 0.063 0.000 0.984 374 T CA -0.446 61.697 62.100 0.071 0.000 1.049 374 T CB 1.929 70.852 68.868 0.090 0.000 0.947 374 T HN 0.158 nan 8.240 nan 0.000 0.472 375 A N 3.754 126.610 122.820 0.061 0.000 3.056 375 A HA 0.420 4.739 4.320 -0.002 0.000 0.274 375 A C 0.396 178.007 177.584 0.046 0.000 1.661 375 A CA -0.723 51.344 52.037 0.050 0.000 1.363 375 A CB -0.825 18.204 19.000 0.048 0.000 1.139 375 A HN 0.852 nan 8.150 nan 0.000 0.598 376 D N -0.582 119.845 120.400 0.046 0.000 2.595 376 D HA 0.314 4.953 4.640 -0.002 0.000 0.268 376 D C 1.030 177.351 176.300 0.035 0.000 1.181 376 D CA -0.144 53.880 54.000 0.040 0.000 1.085 376 D CB -0.140 40.688 40.800 0.045 0.000 1.186 376 D HN -0.023 nan 8.370 nan 0.000 0.621 377 S N -1.175 114.544 115.700 0.032 0.000 2.419 377 S HA -0.095 4.374 4.470 -0.002 0.000 0.235 377 S C 1.617 176.234 174.600 0.029 0.000 1.019 377 S CA 0.907 59.124 58.200 0.028 0.000 0.982 377 S CB -0.276 62.940 63.200 0.026 0.000 0.789 377 S HN 0.393 nan 8.310 nan 0.000 0.490 378 M N 1.015 120.634 119.600 0.033 0.000 2.595 378 M HA 0.162 4.641 4.480 -0.002 0.000 0.248 378 M C 0.757 177.078 176.300 0.035 0.000 1.119 378 M CA 0.618 55.937 55.300 0.033 0.000 1.079 378 M CB -1.232 31.390 32.600 0.035 0.000 1.472 378 M HN 0.266 nan 8.290 nan 0.000 0.501 379 N N -0.470 118.251 118.700 0.036 0.000 2.187 379 N HA 0.039 4.778 4.740 -0.002 0.000 0.212 379 N C 1.436 176.963 175.510 0.028 0.000 1.152 379 N CA -0.199 52.872 53.050 0.035 0.000 0.872 379 N CB 1.003 39.514 38.487 0.040 0.000 1.025 379 N HN 0.152 nan 8.380 nan 0.000 0.514 380 V N -0.925 119.004 119.914 0.025 0.000 3.078 380 V HA -0.124 3.995 4.120 -0.002 0.000 0.265 380 V C 1.600 177.705 176.094 0.019 0.000 1.122 380 V CA 1.439 63.752 62.300 0.021 0.000 1.141 380 V CB -0.507 31.328 31.823 0.019 0.000 0.735 380 V HN 0.307 nan 8.190 nan 0.000 0.498 381 D N 0.401 120.813 120.400 0.020 0.000 2.347 381 D HA -0.008 4.631 4.640 -0.002 0.000 0.215 381 D C 0.869 177.179 176.300 0.017 0.000 0.976 381 D CA -0.002 54.009 54.000 0.018 0.000 0.884 381 D CB -0.134 40.678 40.800 0.020 0.000 0.915 381 D HN 0.486 nan 8.370 nan 0.000 0.526 382 L N 2.204 123.438 121.223 0.017 0.000 2.426 382 L HA 0.097 4.435 4.340 -0.002 0.000 0.271 382 L C 1.296 178.172 176.870 0.009 0.000 1.169 382 L CA -0.369 54.479 54.840 0.014 0.000 0.836 382 L CB 0.880 42.947 42.059 0.013 0.000 1.112 382 L HN 0.031 nan 8.230 nan 0.000 0.465 383 T N -0.765 113.792 114.554 0.006 0.000 2.734 383 T HA 0.013 4.362 4.350 -0.002 0.000 0.314 383 T C 1.234 175.935 174.700 0.002 0.000 1.057 383 T CA -0.456 61.646 62.100 0.003 0.000 1.047 383 T CB 0.912 69.781 68.868 0.001 0.000 0.991 383 T HN 0.597 nan 8.240 nan 0.000 0.540 384 S N 0.989 116.690 115.700 0.001 0.000 2.368 384 S HA -0.037 4.432 4.470 -0.002 0.000 0.225 384 S C 2.530 177.128 174.600 -0.003 0.000 1.030 384 S CA 0.956 59.157 58.200 0.001 0.000 0.999 384 S CB -1.005 62.196 63.200 0.002 0.000 0.844 384 S HN 0.889 nan 8.310 nan 0.000 0.459 385 A N 1.474 124.290 122.820 -0.005 0.000 1.940 385 A HA 0.048 4.367 4.320 -0.002 0.000 0.219 385 A C 2.313 179.888 177.584 -0.016 0.000 1.176 385 A CA 1.776 53.807 52.037 -0.010 0.000 0.631 385 A CB -0.975 18.019 19.000 -0.010 0.000 0.814 385 A HN 0.523 nan 8.150 nan 0.000 0.446 386 A N -1.426 121.385 122.820 -0.016 0.000 1.929 386 A HA -0.116 4.203 4.320 -0.002 0.000 0.216 386 A C 2.103 179.674 177.584 -0.022 0.000 1.176 386 A CA 1.404 53.427 52.037 -0.024 0.000 0.628 386 A CB -0.382 18.608 19.000 -0.017 0.000 0.816 386 A HN 0.490 nan 8.150 nan 0.000 0.444 387 Q N 0.005 119.799 119.800 -0.009 0.000 2.124 387 Q HA -0.177 4.162 4.340 -0.002 0.000 0.202 387 Q C 1.990 177.987 176.000 -0.006 0.000 0.977 387 Q CA 1.471 57.273 55.803 -0.003 0.000 0.850 387 Q CB -0.561 28.181 28.738 0.006 0.000 0.901 387 Q HN 0.860 nan 8.270 nan 0.000 0.429 388 N N 0.604 119.298 118.700 -0.009 0.000 2.106 388 N HA -0.164 4.574 4.740 -0.002 0.000 0.188 388 N C 1.963 177.461 175.510 -0.020 0.000 1.029 388 N CA 0.768 53.813 53.050 -0.008 0.000 0.848 388 N CB 0.029 38.511 38.487 -0.008 0.000 1.007 388 N HN 0.136 nan 8.380 nan 0.000 0.423 389 L N 2.280 123.482 121.223 -0.035 0.000 2.042 389 L HA -0.127 4.212 4.340 -0.002 0.000 0.210 389 L C 2.715 179.540 176.870 -0.074 0.000 1.076 389 L CA 1.511 56.315 54.840 -0.060 0.000 0.749 389 L CB -0.744 41.267 42.059 -0.080 0.000 0.893 389 L HN 0.146 nan 8.230 nan 0.000 0.432 390 R N -0.713 119.748 120.500 -0.065 0.000 2.073 390 R HA -0.234 4.105 4.340 -0.002 0.000 0.234 390 R C 2.254 178.536 176.300 -0.031 0.000 1.134 390 R CA 1.732 57.795 56.100 -0.061 0.000 0.952 390 R CB -0.290 29.992 30.300 -0.030 0.000 0.850 390 R HN 0.396 nan 8.270 nan 0.000 0.433 391 E N 0.724 120.920 120.200 -0.006 0.000 2.085 391 E HA -0.166 4.182 4.350 -0.002 0.000 0.194 391 E C 2.015 178.626 176.600 0.018 0.000 0.994 391 E CA 1.566 57.980 56.400 0.023 0.000 0.801 391 E CB -0.059 29.663 29.700 0.037 0.000 0.743 391 E HN 0.292 nan 8.360 nan 0.000 0.453 392 R N -0.333 120.166 120.500 -0.002 0.000 2.081 392 R HA -0.049 4.289 4.340 -0.002 0.000 0.235 392 R C 2.344 178.633 176.300 -0.020 0.000 1.131 392 R CA 1.196 57.294 56.100 -0.004 0.000 0.960 392 R CB -0.446 29.846 30.300 -0.013 0.000 0.856 392 R HN 0.229 nan 8.270 nan 0.000 0.436 393 A N 1.309 124.101 122.820 -0.048 0.000 1.902 393 A HA -0.159 4.160 4.320 -0.002 0.000 0.217 393 A C 2.099 179.649 177.584 -0.057 0.000 1.181 393 A CA 1.021 53.020 52.037 -0.064 0.000 0.623 393 A CB -0.458 18.471 19.000 -0.120 0.000 0.818 393 A HN 0.228 nan 8.150 nan 0.000 0.443 394 L N -0.132 121.056 121.223 -0.058 0.000 2.017 394 L HA -0.213 4.126 4.340 -0.002 0.000 0.208 394 L C 2.545 179.317 176.870 -0.163 0.000 1.073 394 L CA 2.733 57.509 54.840 -0.107 0.000 0.745 394 L CB -0.769 41.241 42.059 -0.082 0.000 0.894 394 L HN 0.610 nan 8.230 nan 0.000 0.432 395 Q N -0.853 118.915 119.800 -0.053 0.000 2.084 395 Q HA -0.220 4.119 4.340 -0.002 0.000 0.202 395 Q C 2.314 178.309 176.000 -0.009 0.000 0.978 395 Q CA 1.739 57.553 55.803 0.019 0.000 0.844 395 Q CB -0.056 28.745 28.738 0.104 0.000 0.898 395 Q HN 0.504 nan 8.270 nan 0.000 0.426 396 R N -0.153 120.337 120.500 -0.016 0.000 2.075 396 R HA -0.127 4.212 4.340 -0.002 0.000 0.232 396 R C 2.399 178.683 176.300 -0.026 0.000 1.126 396 R CA 1.172 57.266 56.100 -0.010 0.000 0.963 396 R CB -0.443 29.854 30.300 -0.004 0.000 0.858 396 R HN 0.264 nan 8.270 nan 0.000 0.435 397 L N 0.736 121.930 121.223 -0.049 0.000 2.046 397 L HA -0.116 4.223 4.340 -0.002 0.000 0.208 397 L C 2.124 178.946 176.870 -0.080 0.000 1.077 397 L CA 1.760 56.570 54.840 -0.050 0.000 0.747 397 L CB -0.282 41.750 42.059 -0.046 0.000 0.896 397 L HN 0.116 nan 8.230 nan 0.000 0.432 398 M N -1.190 118.311 119.600 -0.165 0.000 2.175 398 M HA -0.135 4.344 4.480 -0.002 0.000 0.264 398 M C 2.152 178.427 176.300 -0.042 0.000 1.063 398 M CA 1.761 56.941 55.300 -0.200 0.000 1.119 398 M CB -1.559 30.669 32.600 -0.620 0.000 1.377 398 M HN 0.287 nan 8.290 nan 0.000 0.415 399 T N 0.121 114.672 114.554 -0.005 0.000 2.684 399 T HA -0.131 4.218 4.350 -0.002 0.000 0.267 399 T C 2.117 176.825 174.700 0.014 0.000 1.036 399 T CA 1.979 64.100 62.100 0.034 0.000 1.148 399 T CB -0.298 68.591 68.868 0.033 0.000 0.863 399 T HN 0.358 nan 8.240 nan 0.000 0.436 400 S N 0.122 115.820 115.700 -0.003 0.000 2.382 400 S HA -0.090 4.379 4.470 -0.002 0.000 0.228 400 S C 2.139 176.736 174.600 -0.005 0.000 1.027 400 S CA 0.792 58.988 58.200 -0.007 0.000 0.991 400 S CB -0.436 62.757 63.200 -0.012 0.000 0.823 400 S HN 0.280 nan 8.310 nan 0.000 0.469 401 V N 1.689 121.598 119.914 -0.008 0.000 2.427 401 V HA -0.124 3.995 4.120 -0.002 0.000 0.248 401 V C 2.817 178.918 176.094 0.011 0.000 1.051 401 V CA 2.081 64.381 62.300 -0.001 0.000 1.048 401 V CB -1.168 30.650 31.823 -0.008 0.000 0.666 401 V HN 0.827 nan 8.190 nan 0.000 0.456 402 T N -2.192 112.375 114.554 0.022 0.000 2.951 402 T HA -0.128 4.221 4.350 -0.002 0.000 0.268 402 T C 1.662 176.375 174.700 0.021 0.000 1.073 402 T CA 1.243 63.364 62.100 0.034 0.000 1.134 402 T CB -0.475 68.430 68.868 0.061 0.000 0.884 402 T HN 0.363 nan 8.240 nan 0.000 0.479 403 N N 1.768 120.477 118.700 0.014 0.000 2.443 403 N HA 0.012 4.750 4.740 -0.002 0.000 0.184 403 N C 1.339 176.850 175.510 0.002 0.000 1.037 403 N CA 0.744 53.798 53.050 0.006 0.000 0.896 403 N CB -0.148 38.340 38.487 0.001 0.000 0.959 403 N HN 0.578 nan 8.380 nan 0.000 0.442 404 R N -0.457 120.045 120.500 0.002 0.000 2.629 404 R HA 0.166 4.505 4.340 -0.002 0.000 0.408 404 R C 1.430 177.732 176.300 0.004 0.000 1.057 404 R CA -0.090 56.010 56.100 0.000 0.000 1.119 404 R CB -0.168 30.129 30.300 -0.004 0.000 1.403 404 R HN 0.272 nan 8.270 nan 0.000 0.576 405 c N -0.343 118.262 118.600 0.008 0.000 2.410 405 c HA -0.129 4.439 4.570 -0.002 0.000 0.281 405 c C 2.449 176.543 174.090 0.007 0.000 1.318 405 c CA 0.768 57.103 56.329 0.010 0.000 1.776 405 c CB -0.388 42.131 42.510 0.015 0.000 1.942 405 c HN 0.439 nan 8.230 nan 0.000 0.508 406 Q N 1.703 121.506 119.800 0.005 0.000 1.993 406 Q HA -0.199 4.139 4.340 -0.002 0.000 0.202 406 Q C 2.358 178.362 176.000 0.006 0.000 0.984 406 Q CA 2.538 58.344 55.803 0.005 0.000 0.837 406 Q CB -0.652 28.089 28.738 0.005 0.000 0.902 406 Q HN 0.842 nan 8.270 nan 0.000 0.423 407 E N -0.882 119.320 120.200 0.004 0.000 2.077 407 E HA -0.195 4.154 4.350 -0.002 0.000 0.193 407 E C 1.692 178.290 176.600 -0.003 0.000 0.989 407 E CA 1.100 57.501 56.400 0.002 0.000 0.800 407 E CB -0.018 29.682 29.700 -0.000 0.000 0.746 407 E HN 0.327 nan 8.360 nan 0.000 0.452 408 L N 1.014 122.236 121.223 -0.002 0.000 2.005 408 L HA -0.074 4.265 4.340 -0.002 0.000 0.207 408 L C 2.571 179.435 176.870 -0.011 0.000 1.072 408 L CA 2.001 56.838 54.840 -0.004 0.000 0.744 408 L CB -1.396 40.666 42.059 0.005 0.000 0.895 408 L HN 0.190 nan 8.230 nan 0.000 0.433 409 A N -0.991 121.828 122.820 -0.002 0.000 2.024 409 A HA -0.198 4.121 4.320 -0.002 0.000 0.220 409 A C 2.196 179.785 177.584 0.008 0.000 1.164 409 A CA 2.161 54.197 52.037 -0.001 0.000 0.643 409 A CB -0.929 18.074 19.000 0.005 0.000 0.806 409 A HN 0.555 nan 8.150 nan 0.000 0.451 410 T N -3.005 111.559 114.554 0.016 0.000 3.060 410 T HA 0.121 4.469 4.350 -0.002 0.000 0.249 410 T C 0.583 175.322 174.700 0.064 0.000 1.079 410 T CA 0.209 62.345 62.100 0.061 0.000 1.013 410 T CB -0.529 68.371 68.868 0.053 0.000 0.975 410 T HN 0.383 nan 8.240 nan 0.000 0.518 411 N N 2.068 120.732 118.700 -0.060 0.000 2.525 411 N HA 0.087 4.825 4.740 -0.002 0.000 0.271 411 N C 1.335 176.485 175.510 -0.600 0.000 1.194 411 N CA -0.256 52.665 53.050 -0.216 0.000 0.964 411 N CB 1.025 39.432 38.487 -0.132 0.000 1.126 411 N HN 0.460 nan 8.380 nan 0.000 0.452 412 E N 1.356 120.893 120.200 -1.104 0.000 2.160 412 E HA -0.283 4.066 4.350 -0.002 0.000 0.195 412 E C 0.345 176.339 176.600 -1.010 0.000 0.991 412 E CA 1.578 56.864 56.400 -1.857 0.000 0.810 412 E CB -0.258 28.497 29.700 -1.575 0.000 0.742 412 E HN 0.705 nan 8.360 nan 0.000 0.466 413 Y N 0.015 120.123 120.300 -0.320 0.000 2.609 413 Y HA 0.433 4.982 4.550 -0.002 0.000 0.281 413 Y C 2.491 178.389 175.900 -0.004 0.000 1.132 413 Y CA 0.111 58.166 58.100 -0.074 0.000 1.264 413 Y CB -0.304 38.101 38.460 -0.093 0.000 1.325 413 Y HN 0.130 nan 8.280 nan 0.000 0.514 414 A N 1.151 124.010 122.820 0.064 0.000 2.067 414 A HA -0.217 4.102 4.320 -0.002 0.000 0.219 414 A C 1.850 179.440 177.584 0.009 0.000 1.158 414 A CA 1.729 53.793 52.037 0.045 0.000 0.661 414 A CB -1.193 17.815 19.000 0.014 0.000 0.801 414 A HN 0.697 nan 8.150 nan 0.000 0.452 415 N N -1.469 117.180 118.700 -0.084 0.000 2.272 415 N HA -0.254 4.485 4.740 -0.002 0.000 0.185 415 N C 1.290 176.723 175.510 -0.128 0.000 1.014 415 N CA 1.946 54.922 53.050 -0.124 0.000 0.870 415 N CB -0.750 37.627 38.487 -0.183 0.000 0.975 415 N HN 0.495 nan 8.380 nan 0.000 0.433 416 Y N 0.583 120.887 120.300 0.006 0.000 2.224 416 Y HA 0.032 4.581 4.550 -0.002 0.000 0.289 416 Y C 2.094 178.021 175.900 0.044 0.000 1.146 416 Y CA 0.856 58.967 58.100 0.019 0.000 1.182 416 Y CB -0.217 38.245 38.460 0.003 0.000 0.983 416 Y HN 0.120 nan 8.280 nan 0.000 0.524 417 I N -0.800 119.872 120.570 0.169 0.000 2.179 417 I HA -0.294 3.874 4.170 -0.002 0.000 0.242 417 I C 1.904 178.092 176.117 0.119 0.000 1.088 417 I CA 0.950 62.321 61.300 0.120 0.000 1.357 417 I CB -0.399 37.641 38.000 0.067 0.000 1.051 417 I HN 0.154 nan 8.210 nan 0.000 0.409 418 I N 0.670 121.284 120.570 0.074 0.000 2.226 418 I HA -0.270 3.899 4.170 -0.002 0.000 0.245 418 I C 2.582 178.735 176.117 0.059 0.000 1.100 418 I CA 1.606 62.939 61.300 0.054 0.000 1.374 418 I CB -1.407 36.609 38.000 0.027 0.000 1.057 418 I HN 0.388 nan 8.210 nan 0.000 0.413 419 Q N -0.532 119.306 119.800 0.063 0.000 2.096 419 Q HA -0.253 4.085 4.340 -0.002 0.000 0.204 419 Q C 2.339 178.379 176.000 0.067 0.000 0.982 419 Q CA 1.574 57.418 55.803 0.068 0.000 0.850 419 Q CB -0.404 28.379 28.738 0.076 0.000 0.901 419 Q HN 0.589 nan 8.270 nan 0.000 0.422 420 H N 0.725 119.818 119.070 0.039 0.000 2.352 420 H HA -0.116 4.439 4.556 -0.002 0.000 0.299 420 H C 1.933 177.257 175.328 -0.007 0.000 1.097 420 H CA 1.507 57.566 56.048 0.018 0.000 1.311 420 H CB 0.030 29.808 29.762 0.027 0.000 1.377 420 H HN 0.228 nan 8.280 nan 0.000 0.504 421 I N 0.131 120.723 120.570 0.037 0.000 2.202 421 I HA -0.225 3.944 4.170 -0.002 0.000 0.242 421 I C 2.731 178.810 176.117 -0.063 0.000 1.091 421 I CA 0.755 62.055 61.300 -0.000 0.000 1.368 421 I CB -0.202 37.841 38.000 0.072 0.000 1.058 421 I HN 0.059 nan 8.210 nan 0.000 0.410 422 V N 0.815 120.705 119.914 -0.040 0.000 2.490 422 V HA -0.219 3.900 4.120 -0.002 0.000 0.250 422 V C 2.170 178.174 176.094 -0.151 0.000 1.061 422 V CA 2.223 64.500 62.300 -0.038 0.000 1.064 422 V CB -0.610 31.222 31.823 0.015 0.000 0.670 422 V HN 0.571 nan 8.190 nan 0.000 0.461 423 S N -1.122 114.394 115.700 -0.307 0.000 2.556 423 S HA 0.141 4.610 4.470 -0.002 0.000 0.216 423 S C 0.705 174.944 174.600 -0.601 0.000 0.970 423 S CA -0.265 57.468 58.200 -0.779 0.000 0.912 423 S CB -0.273 62.520 63.200 -0.679 0.000 0.790 423 S HN 0.508 nan 8.310 nan 0.000 0.504 424 N N 2.334 120.801 118.700 -0.389 0.000 2.439 424 N HA 0.207 4.945 4.740 -0.002 0.000 0.249 424 N C -0.148 175.275 175.510 -0.144 0.000 1.003 424 N CA -0.145 52.734 53.050 -0.285 0.000 0.942 424 N CB 1.069 39.347 38.487 -0.349 0.000 1.115 424 N HN -0.033 nan 8.380 nan 0.000 0.505 425 D N 1.597 121.941 120.400 -0.093 0.000 2.190 425 D HA -0.157 4.482 4.640 -0.002 0.000 0.200 425 D C 0.393 176.690 176.300 -0.006 0.000 0.992 425 D CA 1.260 55.244 54.000 -0.027 0.000 0.854 425 D CB 0.262 41.063 40.800 0.002 0.000 0.936 425 D HN 0.599 nan 8.370 nan 0.000 0.462 426 D N -0.283 120.115 120.400 -0.003 0.000 2.378 426 D HA -0.014 4.625 4.640 -0.002 0.000 0.227 426 D C 1.191 177.529 176.300 0.063 0.000 1.012 426 D CA 0.230 54.247 54.000 0.028 0.000 0.905 426 D CB 0.302 41.122 40.800 0.033 0.000 0.895 426 D HN 0.291 nan 8.370 nan 0.000 0.532 427 L N 0.021 121.280 121.223 0.059 0.000 3.066 427 L HA 0.305 4.643 4.340 -0.002 0.000 0.265 427 L C 1.926 178.859 176.870 0.106 0.000 1.232 427 L CA -0.254 54.679 54.840 0.154 0.000 1.031 427 L CB 0.489 42.627 42.059 0.132 0.000 1.379 427 L HN -0.151 nan 8.230 nan 0.000 0.563 428 A N 0.317 123.154 122.820 0.029 0.000 1.903 428 A HA -0.238 4.081 4.320 -0.002 0.000 0.219 428 A C 2.291 179.842 177.584 -0.055 0.000 1.191 428 A CA 2.363 54.395 52.037 -0.008 0.000 0.638 428 A CB -0.616 18.377 19.000 -0.012 0.000 0.823 428 A HN 0.233 nan 8.150 nan 0.000 0.451 429 V N -1.383 118.443 119.914 -0.147 0.000 2.490 429 V HA -0.244 3.874 4.120 -0.002 0.000 0.250 429 V C 2.256 178.137 176.094 -0.355 0.000 1.061 429 V CA 2.192 64.312 62.300 -0.299 0.000 1.064 429 V CB -0.697 30.859 31.823 -0.445 0.000 0.670 429 V HN 0.683 nan 8.190 nan 0.000 0.461 430 Y N 0.441 120.739 120.300 -0.003 0.000 2.395 430 Y HA -0.011 4.539 4.550 -0.002 0.000 0.293 430 Y C 2.549 178.445 175.900 -0.007 0.000 1.123 430 Y CA 1.447 59.546 58.100 -0.001 0.000 1.227 430 Y CB -0.548 37.915 38.460 0.006 0.000 1.012 430 Y HN 0.252 nan 8.280 nan 0.000 0.552 431 R N 1.178 121.736 120.500 0.096 0.000 2.081 431 R HA -0.179 4.160 4.340 -0.002 0.000 0.235 431 R C 1.668 177.977 176.300 0.015 0.000 1.131 431 R CA 2.118 58.245 56.100 0.044 0.000 0.960 431 R CB -0.274 30.038 30.300 0.020 0.000 0.856 431 R HN 0.373 nan 8.270 nan 0.000 0.436 432 E N 0.129 120.323 120.200 -0.010 0.000 2.072 432 E HA -0.213 4.135 4.350 -0.002 0.000 0.191 432 E C 2.258 178.846 176.600 -0.020 0.000 0.985 432 E CA 1.175 57.560 56.400 -0.025 0.000 0.801 432 E CB -0.340 29.335 29.700 -0.041 0.000 0.750 432 E HN 0.446 nan 8.360 nan 0.000 0.452 433 C N 1.061 120.353 119.300 -0.013 0.000 2.413 433 C HA -0.157 4.302 4.460 -0.002 0.000 0.276 433 C C 2.611 177.613 174.990 0.020 0.000 1.236 433 C CA 0.647 59.669 59.018 0.007 0.000 1.735 433 C CB -0.942 26.820 27.740 0.037 0.000 2.031 433 C HN 0.358 nan 8.230 nan 0.000 0.474 434 I N 0.442 121.033 120.570 0.035 0.000 2.226 434 I HA -0.185 3.984 4.170 -0.002 0.000 0.245 434 I C 2.384 178.500 176.117 -0.002 0.000 1.100 434 I CA 1.763 63.079 61.300 0.026 0.000 1.374 434 I CB -0.373 37.649 38.000 0.036 0.000 1.057 434 I HN 0.362 nan 8.210 nan 0.000 0.413 435 I N 0.550 121.111 120.570 -0.016 0.000 2.163 435 I HA -0.303 3.865 4.170 -0.002 0.000 0.243 435 I C 2.380 178.469 176.117 -0.046 0.000 1.085 435 I CA 1.628 62.901 61.300 -0.046 0.000 1.347 435 I CB -0.401 37.561 38.000 -0.064 0.000 1.044 435 I HN 0.267 nan 8.210 nan 0.000 0.408 436 E N 0.495 120.675 120.200 -0.034 0.000 2.152 436 E HA -0.253 4.096 4.350 -0.002 0.000 0.192 436 E C 2.027 178.615 176.600 -0.021 0.000 0.983 436 E CA 0.947 57.329 56.400 -0.030 0.000 0.818 436 E CB 0.008 29.693 29.700 -0.024 0.000 0.758 436 E HN 0.270 nan 8.360 nan 0.000 0.467 437 K N 0.840 121.233 120.400 -0.011 0.000 2.031 437 K HA -0.102 4.217 4.320 -0.002 0.000 0.205 437 K C 1.995 178.591 176.600 -0.006 0.000 1.049 437 K CA 1.853 58.138 56.287 -0.003 0.000 0.939 437 K CB -0.116 32.389 32.500 0.008 0.000 0.717 437 K HN 0.334 nan 8.250 nan 0.000 0.438 438 c N -1.793 116.802 118.600 -0.008 0.000 3.449 438 c HA 0.471 5.040 4.570 -0.002 0.000 0.404 438 c C 2.087 176.169 174.090 -0.014 0.000 1.383 438 c CA -0.795 55.530 56.329 -0.007 0.000 1.936 438 c CB -0.614 41.895 42.510 -0.001 0.000 2.738 438 c HN 0.323 nan 8.230 nan 0.000 0.663 439 L N 0.222 121.428 121.223 -0.028 0.000 2.071 439 L HA 0.184 4.523 4.340 -0.002 0.000 0.201 439 L C 1.390 178.229 176.870 -0.052 0.000 1.076 439 L CA 0.838 55.651 54.840 -0.045 0.000 0.755 439 L CB -0.652 41.363 42.059 -0.073 0.000 0.915 439 L HN 0.253 nan 8.230 nan 0.000 0.445 440 M N 0.342 119.904 119.600 -0.064 0.000 2.251 440 M HA -0.014 4.465 4.480 -0.002 0.000 0.343 440 M C 0.794 177.069 176.300 -0.041 0.000 1.245 440 M CA 1.092 56.351 55.300 -0.069 0.000 1.061 440 M CB -0.139 32.419 32.600 -0.071 0.000 1.723 440 M HN 0.122 nan 8.290 nan 0.000 0.449 441 R N 1.036 121.512 120.500 -0.041 0.000 3.749 441 R HA -0.265 4.074 4.340 -0.002 0.000 0.476 441 R C -0.159 176.177 176.300 0.060 0.000 0.814 441 R CA 1.827 57.910 56.100 -0.028 0.000 1.494 441 R CB -1.990 28.286 30.300 -0.039 0.000 2.164 441 R HN 0.860 nan 8.270 nan 0.000 0.473 442 N N 0.303 119.037 118.700 0.057 0.000 2.234 442 N HA 0.262 5.001 4.740 -0.002 0.000 0.227 442 N C 0.977 176.528 175.510 0.068 0.000 1.151 442 N CA -0.247 52.848 53.050 0.075 0.000 0.865 442 N CB 0.433 38.938 38.487 0.030 0.000 1.066 442 N HN 0.086 nan 8.380 nan 0.000 0.515 443 L N 0.004 121.287 121.223 0.100 0.000 2.046 443 L HA -0.132 4.207 4.340 -0.002 0.000 0.208 443 L C 2.063 178.940 176.870 0.012 0.000 1.077 443 L CA 0.977 55.851 54.840 0.057 0.000 0.747 443 L CB -0.284 41.816 42.059 0.067 0.000 0.896 443 L HN 0.321 nan 8.230 nan 0.000 0.432 444 L N -0.656 120.542 121.223 -0.042 0.000 2.027 444 L HA -0.178 4.161 4.340 -0.002 0.000 0.206 444 L C 2.731 179.472 176.870 -0.214 0.000 1.074 444 L CA 1.966 56.635 54.840 -0.284 0.000 0.745 444 L CB -0.657 40.898 42.059 -0.840 0.000 0.898 444 L HN 0.152 nan 8.230 nan 0.000 0.433 445 S N -0.782 114.836 115.700 -0.137 0.000 2.348 445 S HA -0.168 4.301 4.470 -0.002 0.000 0.221 445 S C 2.050 176.603 174.600 -0.079 0.000 1.033 445 S CA 1.735 59.878 58.200 -0.096 0.000 1.010 445 S CB -0.454 62.725 63.200 -0.035 0.000 0.891 445 S HN 0.495 nan 8.310 nan 0.000 0.442 446 L N 1.071 122.267 121.223 -0.046 0.000 2.131 446 L HA -0.045 4.294 4.340 -0.002 0.000 0.210 446 L C 2.612 179.454 176.870 -0.046 0.000 1.092 446 L CA 1.172 55.992 54.840 -0.034 0.000 0.759 446 L CB -0.594 41.456 42.059 -0.016 0.000 0.903 446 L HN 0.308 nan 8.230 nan 0.000 0.435 447 S N -0.678 114.988 115.700 -0.057 0.000 2.474 447 S HA -0.172 4.297 4.470 -0.002 0.000 0.235 447 S C 1.685 176.240 174.600 -0.077 0.000 0.997 447 S CA 0.972 59.141 58.200 -0.051 0.000 0.949 447 S CB -0.130 63.036 63.200 -0.057 0.000 0.766 447 S HN 0.498 nan 8.310 nan 0.000 0.517 448 Q N 0.288 119.990 119.800 -0.162 0.000 2.360 448 Q HA 0.167 4.505 4.340 -0.002 0.000 0.202 448 Q C -0.133 175.945 176.000 0.129 0.000 0.915 448 Q CA 0.237 55.878 55.803 -0.271 0.000 0.943 448 Q CB 0.421 28.829 28.738 -0.550 0.000 1.064 448 Q HN 0.546 nan 8.270 nan 0.000 0.511 449 E N 0.609 120.832 120.200 0.038 0.000 2.231 449 E HA 0.093 4.442 4.350 -0.002 0.000 0.277 449 E C 0.166 176.555 176.600 -0.352 0.000 0.999 449 E CA -0.286 56.092 56.400 -0.037 0.000 0.827 449 E CB 1.464 31.134 29.700 -0.052 0.000 1.101 449 E HN -0.002 nan 8.360 nan 0.000 0.393 450 K N 2.108 122.056 120.400 -0.753 0.000 2.032 450 K HA -0.166 4.153 4.320 -0.002 0.000 0.209 450 K C 1.255 177.317 176.600 -0.898 0.000 1.048 450 K CA 1.669 57.047 56.287 -1.514 0.000 0.927 450 K CB 0.023 31.630 32.500 -1.488 0.000 0.712 450 K HN 0.384 nan 8.250 nan 0.000 0.441 451 F N 0.084 119.866 119.950 -0.280 0.000 2.262 451 F HA 0.180 4.706 4.527 -0.002 0.000 0.292 451 F C 2.374 178.106 175.800 -0.112 0.000 1.081 451 F CA 0.674 58.577 58.000 -0.162 0.000 1.355 451 F CB -0.741 38.151 39.000 -0.180 0.000 1.069 451 F HN 0.050 nan 8.300 nan 0.000 0.506 452 A N 0.132 122.970 122.820 0.029 0.000 2.119 452 A HA -0.092 4.227 4.320 -0.002 0.000 0.217 452 A C 2.257 179.820 177.584 -0.035 0.000 1.153 452 A CA 1.426 53.466 52.037 0.005 0.000 0.692 452 A CB -1.097 17.904 19.000 0.003 0.000 0.799 452 A HN 0.385 nan 8.150 nan 0.000 0.458 453 S N -0.349 115.278 115.700 -0.121 0.000 2.399 453 S HA -0.220 4.249 4.470 -0.002 0.000 0.231 453 S C 1.748 176.243 174.600 -0.175 0.000 1.022 453 S CA 1.235 59.346 58.200 -0.150 0.000 0.983 453 S CB -0.880 62.206 63.200 -0.190 0.000 0.803 453 S HN 0.719 nan 8.310 nan 0.000 0.480 454 H N 0.875 119.904 119.070 -0.068 0.000 2.423 454 H HA 0.081 4.636 4.556 -0.002 0.000 0.297 454 H C 2.307 177.625 175.328 -0.017 0.000 1.075 454 H CA 1.490 57.504 56.048 -0.057 0.000 1.342 454 H CB -0.335 29.355 29.762 -0.119 0.000 1.395 454 H HN 0.340 nan 8.280 nan 0.000 0.530 455 V N 0.532 120.493 119.914 0.078 0.000 2.453 455 V HA -0.158 3.961 4.120 -0.002 0.000 0.247 455 V C 2.742 178.867 176.094 0.052 0.000 1.048 455 V CA 0.905 63.237 62.300 0.053 0.000 1.049 455 V CB -0.459 31.378 31.823 0.024 0.000 0.672 455 V HN 0.160 nan 8.190 nan 0.000 0.457 456 V N 0.050 119.991 119.914 0.045 0.000 2.343 456 V HA -0.260 3.859 4.120 -0.002 0.000 0.247 456 V C 2.413 178.614 176.094 0.178 0.000 1.051 456 V CA 1.999 64.340 62.300 0.067 0.000 1.036 456 V CB -0.652 31.218 31.823 0.077 0.000 0.654 456 V HN 0.621 nan 8.190 nan 0.000 0.451 457 E N -0.168 120.129 120.200 0.161 0.000 2.058 457 E HA -0.238 4.111 4.350 -0.002 0.000 0.194 457 E C 2.352 179.064 176.600 0.187 0.000 0.997 457 E CA 1.155 57.666 56.400 0.185 0.000 0.801 457 E CB -0.183 29.585 29.700 0.114 0.000 0.746 457 E HN 0.377 nan 8.360 nan 0.000 0.450 458 K N 0.650 121.149 120.400 0.164 0.000 2.044 458 K HA -0.151 4.168 4.320 -0.002 0.000 0.210 458 K C 2.083 178.805 176.600 0.203 0.000 1.049 458 K CA 1.346 57.762 56.287 0.216 0.000 0.927 458 K CB -0.790 31.817 32.500 0.178 0.000 0.713 458 K HN 0.145 nan 8.250 nan 0.000 0.443 459 A N 0.404 123.283 122.820 0.098 0.000 1.883 459 A HA -0.163 4.156 4.320 -0.002 0.000 0.217 459 A C 2.289 179.857 177.584 -0.028 0.000 1.186 459 A CA 1.564 53.599 52.037 -0.002 0.000 0.624 459 A CB -0.915 18.010 19.000 -0.124 0.000 0.822 459 A HN 0.257 nan 8.150 nan 0.000 0.444 460 F N -0.305 119.641 119.950 -0.007 0.000 2.134 460 F HA -0.141 4.384 4.527 -0.002 0.000 0.299 460 F C 2.181 177.960 175.800 -0.037 0.000 1.097 460 F CA 1.406 59.384 58.000 -0.037 0.000 1.264 460 F CB -0.225 38.743 39.000 -0.054 0.000 1.001 460 F HN 0.114 nan 8.300 nan 0.000 0.479 461 L N -1.258 120.034 121.223 0.116 0.000 2.093 461 L HA -0.225 4.114 4.340 -0.002 0.000 0.208 461 L C 1.798 178.486 176.870 -0.303 0.000 1.085 461 L CA 1.227 55.986 54.840 -0.134 0.000 0.755 461 L CB -0.459 41.425 42.059 -0.291 0.000 0.904 461 L HN 0.274 nan 8.230 nan 0.000 0.435 462 H N -1.364 117.748 119.070 0.069 0.000 2.755 462 H HA 0.350 4.905 4.556 -0.002 0.000 0.273 462 H C 0.762 176.105 175.328 0.024 0.000 1.055 462 H CA 0.161 56.234 56.048 0.042 0.000 1.191 462 H CB 0.286 30.062 29.762 0.023 0.000 1.536 462 H HN 0.195 nan 8.280 nan 0.000 0.529 463 A N 3.044 125.918 122.820 0.089 0.000 2.498 463 A HA 0.247 4.566 4.320 -0.002 0.000 0.239 463 A C -2.019 175.590 177.584 0.040 0.000 1.068 463 A CA -0.915 51.140 52.037 0.031 0.000 0.766 463 A CB -0.044 18.928 19.000 -0.047 0.000 1.003 463 A HN -0.002 nan 8.150 nan 0.000 0.497 464 P HA 0.050 nan 4.420 nan 0.000 0.267 464 P C 0.966 178.259 177.300 -0.011 0.000 1.200 464 P CA -0.172 62.934 63.100 0.011 0.000 0.772 464 P CB 0.347 32.048 31.700 0.003 0.000 0.855 465 L N 1.278 122.465 121.223 -0.060 0.000 2.081 465 L HA -0.226 4.113 4.340 -0.002 0.000 0.212 465 L C 2.289 179.091 176.870 -0.114 0.000 1.080 465 L CA 1.777 56.512 54.840 -0.175 0.000 0.754 465 L CB -0.676 41.024 42.059 -0.599 0.000 0.893 465 L HN 0.564 nan 8.230 nan 0.000 0.433 466 E N 0.806 120.989 120.200 -0.028 0.000 2.077 466 E HA -0.221 4.128 4.350 -0.002 0.000 0.193 466 E C 2.366 178.991 176.600 0.041 0.000 0.989 466 E CA 1.108 57.554 56.400 0.077 0.000 0.800 466 E CB 0.012 29.770 29.700 0.097 0.000 0.746 466 E HN 0.491 nan 8.360 nan 0.000 0.452 467 L N 0.550 121.772 121.223 -0.002 0.000 2.156 467 L HA -0.133 4.206 4.340 -0.002 0.000 0.208 467 L C 2.641 179.461 176.870 -0.083 0.000 1.095 467 L CA 0.178 54.994 54.840 -0.040 0.000 0.770 467 L CB -0.313 41.713 42.059 -0.055 0.000 0.914 467 L HN 0.272 nan 8.230 nan 0.000 0.439 468 L N 0.513 121.697 121.223 -0.066 0.000 2.046 468 L HA -0.136 4.203 4.340 -0.002 0.000 0.208 468 L C 2.639 179.398 176.870 -0.185 0.000 1.077 468 L CA 2.007 56.781 54.840 -0.110 0.000 0.747 468 L CB -0.707 41.349 42.059 -0.006 0.000 0.896 468 L HN 0.129 nan 8.230 nan 0.000 0.432 469 A N -0.828 121.992 122.820 -0.001 0.000 1.902 469 A HA -0.231 4.088 4.320 -0.002 0.000 0.217 469 A C 2.188 179.792 177.584 0.032 0.000 1.181 469 A CA 1.861 53.996 52.037 0.164 0.000 0.623 469 A CB -0.626 18.605 19.000 0.385 0.000 0.818 469 A HN 0.622 nan 8.150 nan 0.000 0.443 470 E N -0.715 119.482 120.200 -0.005 0.000 2.077 470 E HA -0.180 4.169 4.350 -0.002 0.000 0.193 470 E C 2.123 178.663 176.600 -0.100 0.000 0.989 470 E CA 1.455 57.836 56.400 -0.033 0.000 0.800 470 E CB -0.270 29.406 29.700 -0.040 0.000 0.746 470 E HN 0.674 nan 8.360 nan 0.000 0.452 471 M N -0.072 119.418 119.600 -0.183 0.000 2.108 471 M HA -0.188 4.291 4.480 -0.002 0.000 0.261 471 M C 2.378 178.586 176.300 -0.154 0.000 1.066 471 M CA 1.240 56.380 55.300 -0.267 0.000 1.107 471 M CB -0.176 32.066 32.600 -0.597 0.000 1.356 471 M HN 0.151 nan 8.290 nan 0.000 0.406 472 M N 0.028 119.488 119.600 -0.234 0.000 2.117 472 M HA -0.181 4.298 4.480 -0.002 0.000 0.262 472 M C 1.467 177.671 176.300 -0.160 0.000 1.065 472 M CA 1.714 56.780 55.300 -0.389 0.000 1.114 472 M CB -1.254 30.636 32.600 -1.184 0.000 1.361 472 M HN 0.173 nan 8.290 nan 0.000 0.408 473 D N 0.086 120.478 120.400 -0.014 0.000 2.178 473 D HA -0.163 4.476 4.640 -0.002 0.000 0.201 473 D C 1.896 178.225 176.300 0.049 0.000 0.980 473 D CA 1.023 55.097 54.000 0.122 0.000 0.842 473 D CB -0.211 40.659 40.800 0.117 0.000 0.948 473 D HN 0.513 nan 8.370 nan 0.000 0.472 474 E N 0.126 120.308 120.200 -0.031 0.000 2.072 474 E HA -0.146 4.203 4.350 -0.002 0.000 0.191 474 E C 1.868 178.485 176.600 0.029 0.000 0.985 474 E CA 0.686 57.051 56.400 -0.059 0.000 0.801 474 E CB 0.111 29.766 29.700 -0.075 0.000 0.750 474 E HN 0.053 nan 8.360 nan 0.000 0.452 475 I N 0.506 121.059 120.570 -0.027 0.000 2.252 475 I HA -0.195 3.974 4.170 -0.002 0.000 0.245 475 I C 1.971 178.025 176.117 -0.104 0.000 1.102 475 I CA 1.197 62.441 61.300 -0.094 0.000 1.385 475 I CB -1.139 36.650 38.000 -0.352 0.000 1.064 475 I HN 0.171 nan 8.210 nan 0.000 0.414 476 F N 0.446 120.436 119.950 0.068 0.000 2.367 476 F HA -0.069 4.457 4.527 -0.002 0.000 0.298 476 F C 1.431 177.277 175.800 0.076 0.000 1.094 476 F CA 0.935 58.976 58.000 0.068 0.000 1.409 476 F CB -0.258 38.783 39.000 0.069 0.000 1.064 476 F HN 0.110 nan 8.300 nan 0.000 0.528 477 D N -1.749 118.781 120.400 0.218 0.000 2.783 477 D HA 0.180 4.819 4.640 -0.002 0.000 0.306 477 D C 1.460 177.779 176.300 0.031 0.000 1.633 477 D CA 0.416 54.496 54.000 0.133 0.000 0.796 477 D CB -0.295 40.581 40.800 0.127 0.000 1.230 477 D HN 0.109 nan 8.370 nan 0.000 0.441 478 G N -0.600 108.181 108.800 -0.033 0.000 2.986 478 G HA2 0.155 4.114 3.960 -0.002 0.000 0.213 478 G HA3 0.155 4.114 3.960 -0.002 0.000 0.213 478 G C -0.057 174.516 174.900 -0.545 0.000 1.156 478 G CA 0.221 45.129 45.100 -0.321 0.000 0.763 478 G HN 0.176 nan 8.290 nan 0.000 0.547 479 Y N -0.997 119.314 120.300 0.018 0.000 2.512 479 Y HA 0.484 5.033 4.550 -0.002 0.000 0.348 479 Y C -0.223 175.691 175.900 0.023 0.000 0.990 479 Y CA -1.457 56.651 58.100 0.014 0.000 1.033 479 Y CB 1.988 40.453 38.460 0.009 0.000 1.259 479 Y HN -0.063 nan 8.280 nan 0.000 0.461 480 I N 5.003 125.675 120.570 0.170 0.000 2.441 480 I HA 0.359 4.528 4.170 -0.002 0.000 0.287 480 I C -2.226 173.957 176.117 0.109 0.000 1.049 480 I CA -1.736 59.626 61.300 0.104 0.000 1.381 480 I CB 0.928 38.962 38.000 0.058 0.000 1.409 480 I HN 0.458 nan 8.210 nan 0.000 0.523 481 P HA -0.018 nan 4.420 nan 0.000 0.269 481 P C -1.177 176.176 177.300 0.089 0.000 1.217 481 P CA 0.132 63.290 63.100 0.096 0.000 0.783 481 P CB 0.247 31.997 31.700 0.084 0.000 0.898 482 H N 2.454 121.539 119.070 0.025 0.000 2.929 482 H HA 0.053 4.608 4.556 -0.002 0.000 0.317 482 H C -1.372 173.965 175.328 0.015 0.000 1.031 482 H CA -0.892 55.166 56.048 0.016 0.000 1.466 482 H CB 0.285 30.050 29.762 0.005 0.000 1.482 482 H HN 0.297 nan 8.280 nan 0.000 0.561 483 P HA -0.192 nan 4.420 nan 0.000 0.217 483 P C 0.428 177.680 177.300 -0.080 0.000 1.148 483 P CA 1.495 64.458 63.100 -0.229 0.000 0.834 483 P CB 0.393 31.919 31.700 -0.290 0.000 0.783 484 D N -2.214 118.213 120.400 0.045 0.000 2.369 484 D HA -0.025 4.614 4.640 -0.002 0.000 0.231 484 D C 1.894 178.314 176.300 0.201 0.000 0.967 484 D CA 1.770 55.883 54.000 0.189 0.000 0.905 484 D CB -0.566 40.391 40.800 0.260 0.000 1.044 484 D HN 0.261 nan 8.370 nan 0.000 0.487 485 T N -2.611 112.125 114.554 0.302 0.000 3.031 485 T HA 0.297 4.646 4.350 -0.002 0.000 0.254 485 T C 1.719 176.471 174.700 0.086 0.000 1.060 485 T CA 0.966 63.128 62.100 0.103 0.000 1.135 485 T CB 0.591 69.447 68.868 -0.022 0.000 0.896 485 T HN 0.215 nan 8.240 nan 0.000 0.472 486 G N 1.540 110.416 108.800 0.127 0.000 2.131 486 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.223 486 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.223 486 G C -0.094 174.855 174.900 0.083 0.000 0.990 486 G CA 0.107 45.260 45.100 0.089 0.000 0.671 486 G HN 0.817 nan 8.290 nan 0.000 0.521 487 K N 1.039 121.492 120.400 0.089 0.000 2.339 487 K HA 0.418 4.737 4.320 -0.002 0.000 0.286 487 K C 0.373 177.021 176.600 0.080 0.000 1.050 487 K CA 0.126 56.450 56.287 0.062 0.000 0.956 487 K CB 0.351 32.858 32.500 0.012 0.000 0.990 487 K HN 0.395 nan 8.250 nan 0.000 0.475 488 D N 3.293 123.737 120.400 0.073 0.000 2.569 488 D HA 0.238 4.877 4.640 -0.002 0.000 0.266 488 D C 0.833 177.157 176.300 0.040 0.000 1.164 488 D CA -0.494 53.553 54.000 0.078 0.000 1.071 488 D CB 0.572 41.433 40.800 0.103 0.000 1.183 488 D HN 0.352 nan 8.370 nan 0.000 0.613 489 A N -0.445 122.395 122.820 0.032 0.000 1.883 489 A HA -0.138 4.181 4.320 -0.002 0.000 0.217 489 A C 2.002 179.553 177.584 -0.055 0.000 1.186 489 A CA 1.642 53.637 52.037 -0.070 0.000 0.624 489 A CB -1.013 17.955 19.000 -0.054 0.000 0.822 489 A HN 0.497 nan 8.150 nan 0.000 0.444 490 L N 0.135 121.358 121.223 -0.001 0.000 2.046 490 L HA -0.164 4.175 4.340 -0.002 0.000 0.208 490 L C 1.816 178.692 176.870 0.010 0.000 1.077 490 L CA 2.587 57.421 54.840 -0.011 0.000 0.747 490 L CB -0.840 41.260 42.059 0.068 0.000 0.896 490 L HN 0.464 nan 8.230 nan 0.000 0.432 491 D N -0.784 119.654 120.400 0.063 0.000 2.092 491 D HA -0.210 4.429 4.640 -0.002 0.000 0.193 491 D C 2.263 178.644 176.300 0.136 0.000 0.994 491 D CA 1.767 55.846 54.000 0.132 0.000 0.828 491 D CB -0.076 40.792 40.800 0.114 0.000 0.963 491 D HN 0.404 nan 8.370 nan 0.000 0.450 492 I N -0.121 120.475 120.570 0.044 0.000 2.163 492 I HA -0.309 3.860 4.170 -0.002 0.000 0.243 492 I C 2.315 178.442 176.117 0.017 0.000 1.085 492 I CA 0.978 62.290 61.300 0.020 0.000 1.347 492 I CB -0.209 37.757 38.000 -0.056 0.000 1.044 492 I HN 0.128 nan 8.210 nan 0.000 0.408 493 M N -0.599 118.971 119.600 -0.050 0.000 2.099 493 M HA -0.213 4.266 4.480 -0.002 0.000 0.262 493 M C 2.429 178.654 176.300 -0.125 0.000 1.067 493 M CA 1.847 57.094 55.300 -0.087 0.000 1.124 493 M CB -0.279 32.245 32.600 -0.128 0.000 1.353 493 M HN 0.183 nan 8.290 nan 0.000 0.410 494 M N -1.054 118.428 119.600 -0.197 0.000 2.202 494 M HA -0.176 4.302 4.480 -0.002 0.000 0.262 494 M C 0.924 176.813 176.300 -0.685 0.000 1.063 494 M CA 1.616 56.645 55.300 -0.452 0.000 1.097 494 M CB -0.171 32.066 32.600 -0.603 0.000 1.382 494 M HN 0.180 nan 8.290 nan 0.000 0.413 495 F N -2.400 117.409 119.950 -0.235 0.000 2.678 495 F HA 0.165 4.691 4.527 -0.002 0.000 0.305 495 F C 1.072 176.686 175.800 -0.310 0.000 1.090 495 F CA -0.292 57.479 58.000 -0.381 0.000 1.272 495 F CB -0.176 38.596 39.000 -0.380 0.000 1.060 495 F HN 0.071 nan 8.300 nan 0.000 0.576 496 H N 2.029 120.998 119.070 -0.169 0.000 2.562 496 H HA 0.055 4.610 4.556 -0.002 0.000 0.352 496 H C 1.209 176.391 175.328 -0.243 0.000 1.125 496 H CA 0.071 56.012 56.048 -0.178 0.000 1.379 496 H CB 1.265 30.950 29.762 -0.129 0.000 1.464 496 H HN 0.366 nan 8.280 nan 0.000 0.563 497 Q N 2.833 122.165 119.800 -0.781 0.000 2.226 497 Q HA -0.124 4.215 4.340 -0.002 0.000 0.204 497 Q C 0.445 176.223 176.000 -0.369 0.000 0.975 497 Q CA 1.672 57.092 55.803 -0.638 0.000 0.866 497 Q CB 0.019 28.204 28.738 -0.921 0.000 0.915 497 Q HN 0.465 nan 8.270 nan 0.000 0.440 498 F N 0.239 120.303 119.950 0.190 0.000 2.553 498 F HA 0.390 4.915 4.527 -0.002 0.000 0.282 498 F C 2.391 178.320 175.800 0.215 0.000 1.089 498 F CA 0.131 58.286 58.000 0.258 0.000 1.411 498 F CB -0.782 38.302 39.000 0.140 0.000 1.125 498 F HN 0.131 nan 8.300 nan 0.000 0.610 499 G N 1.108 110.123 108.800 0.359 0.000 2.448 499 G HA2 -0.341 3.618 3.960 -0.002 0.000 0.219 499 G HA3 -0.341 3.618 3.960 -0.002 0.000 0.219 499 G C 1.366 176.261 174.900 -0.008 0.000 1.127 499 G CA 1.265 46.415 45.100 0.084 0.000 0.766 499 G HN 0.513 nan 8.290 nan 0.000 0.552 500 N N -0.413 118.238 118.700 -0.083 0.000 2.205 500 N HA -0.213 4.525 4.740 -0.002 0.000 0.186 500 N C 1.760 177.112 175.510 -0.264 0.000 1.015 500 N CA 1.528 54.418 53.050 -0.267 0.000 0.862 500 N CB -0.645 37.590 38.487 -0.420 0.000 0.986 500 N HN 0.415 nan 8.380 nan 0.000 0.429 501 Y N 0.071 120.337 120.300 -0.057 0.000 2.293 501 Y HA 0.013 4.562 4.550 -0.002 0.000 0.291 501 Y C 2.366 178.215 175.900 -0.084 0.000 1.137 501 Y CA 0.713 58.780 58.100 -0.055 0.000 1.202 501 Y CB -0.234 38.205 38.460 -0.036 0.000 0.990 501 Y HN -0.003 nan 8.280 nan 0.000 0.537 502 V N -1.204 118.735 119.914 0.041 0.000 2.358 502 V HA -0.233 3.885 4.120 -0.002 0.000 0.246 502 V C 2.181 178.153 176.094 -0.204 0.000 1.047 502 V CA 1.496 63.760 62.300 -0.060 0.000 1.035 502 V CB -0.806 30.998 31.823 -0.031 0.000 0.658 502 V HN 0.223 nan 8.190 nan 0.000 0.452 503 V N -0.281 119.517 119.914 -0.193 0.000 2.343 503 V HA -0.326 3.793 4.120 -0.002 0.000 0.247 503 V C 2.461 178.447 176.094 -0.180 0.000 1.051 503 V CA 2.012 64.176 62.300 -0.226 0.000 1.036 503 V CB -0.838 30.862 31.823 -0.205 0.000 0.654 503 V HN 0.571 nan 8.190 nan 0.000 0.451 504 Q N -1.108 118.609 119.800 -0.138 0.000 2.096 504 Q HA -0.270 4.069 4.340 -0.002 0.000 0.204 504 Q C 2.472 178.431 176.000 -0.069 0.000 0.982 504 Q CA 2.056 57.806 55.803 -0.088 0.000 0.850 504 Q CB -0.554 28.149 28.738 -0.059 0.000 0.901 504 Q HN 0.743 nan 8.270 nan 0.000 0.422 505 C N 0.479 119.730 119.300 -0.081 0.000 2.429 505 C HA -0.121 4.338 4.460 -0.002 0.000 0.277 505 C C 2.572 177.462 174.990 -0.165 0.000 1.262 505 C CA 0.720 59.688 59.018 -0.085 0.000 1.733 505 C CB -0.745 26.959 27.740 -0.060 0.000 2.010 505 C HN 0.517 nan 8.230 nan 0.000 0.483 506 M N 0.062 119.462 119.600 -0.333 0.000 2.080 506 M HA -0.145 4.334 4.480 -0.002 0.000 0.260 506 M C 2.084 178.333 176.300 -0.085 0.000 1.068 506 M CA 1.684 56.764 55.300 -0.367 0.000 1.109 506 M CB -0.677 31.600 32.600 -0.539 0.000 1.342 506 M HN 0.414 nan 8.290 nan 0.000 0.405 507 L N 0.178 121.370 121.223 -0.052 0.000 2.017 507 L HA -0.150 4.189 4.340 -0.002 0.000 0.208 507 L C 2.348 179.246 176.870 0.046 0.000 1.073 507 L CA 2.047 56.906 54.840 0.031 0.000 0.745 507 L CB -0.991 41.073 42.059 0.009 0.000 0.894 507 L HN 0.211 nan 8.230 nan 0.000 0.432 508 T N -0.033 114.529 114.554 0.014 0.000 2.720 508 T HA -0.180 4.169 4.350 -0.002 0.000 0.268 508 T C 1.979 176.699 174.700 0.034 0.000 1.037 508 T CA 2.032 64.144 62.100 0.021 0.000 1.144 508 T CB -0.364 68.510 68.868 0.011 0.000 0.864 508 T HN 0.322 nan 8.240 nan 0.000 0.444 509 I N 0.680 121.279 120.570 0.048 0.000 2.163 509 I HA -0.240 3.929 4.170 -0.002 0.000 0.243 509 I C 2.653 178.852 176.117 0.136 0.000 1.085 509 I CA 1.026 62.382 61.300 0.094 0.000 1.347 509 I CB -0.391 37.706 38.000 0.162 0.000 1.044 509 I HN 0.349 nan 8.210 nan 0.000 0.408 510 C N -0.246 119.189 119.300 0.224 0.000 2.446 510 C HA -0.155 4.304 4.460 -0.002 0.000 0.277 510 C C 3.098 178.159 174.990 0.119 0.000 1.275 510 C CA 0.393 59.592 59.018 0.301 0.000 1.727 510 C CB -1.063 26.899 27.740 0.371 0.000 2.010 510 C HN 0.629 nan 8.230 nan 0.000 0.486 511 C N 0.659 120.007 119.300 0.079 0.000 2.432 511 C HA -0.116 4.343 4.460 -0.002 0.000 0.277 511 C C 2.343 177.327 174.990 -0.011 0.000 1.249 511 C CA 1.225 60.264 59.018 0.035 0.000 1.725 511 C CB -1.342 26.419 27.740 0.036 0.000 2.028 511 C HN 0.580 nan 8.230 nan 0.000 0.477 512 D N 1.025 121.409 120.400 -0.026 0.000 2.104 512 D HA -0.110 4.529 4.640 -0.002 0.000 0.194 512 D C 2.289 178.510 176.300 -0.132 0.000 0.994 512 D CA 1.845 55.807 54.000 -0.062 0.000 0.830 512 D CB -0.575 40.191 40.800 -0.056 0.000 0.959 512 D HN 0.501 nan 8.370 nan 0.000 0.452 513 A N 0.389 123.066 122.820 -0.239 0.000 1.858 513 A HA -0.148 4.170 4.320 -0.002 0.000 0.216 513 A C 2.478 179.921 177.584 -0.235 0.000 1.190 513 A CA 1.419 53.189 52.037 -0.446 0.000 0.617 513 A CB -0.797 17.513 19.000 -1.150 0.000 0.827 513 A HN 0.169 nan 8.150 nan 0.000 0.443 514 V N 0.798 120.641 119.914 -0.120 0.000 2.809 514 V HA -0.121 3.998 4.120 -0.002 0.000 0.256 514 V C 2.462 178.532 176.094 -0.041 0.000 1.080 514 V CA 2.000 64.273 62.300 -0.045 0.000 1.102 514 V CB -0.346 31.479 31.823 0.003 0.000 0.705 514 V HN 0.793 nan 8.190 nan 0.000 0.475 515 S N -0.772 114.900 115.700 -0.047 0.000 2.557 515 S HA 0.352 4.821 4.470 -0.002 0.000 0.223 515 S C 1.557 176.135 174.600 -0.037 0.000 0.969 515 S CA 0.656 58.836 58.200 -0.032 0.000 0.927 515 S CB 0.716 63.903 63.200 -0.022 0.000 0.806 515 S HN 0.955 nan 8.310 nan 0.000 0.489 516 G N 2.303 111.070 108.800 -0.055 0.000 2.225 516 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.254 516 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.254 516 G C 0.951 175.821 174.900 -0.049 0.000 0.988 516 G CA 0.227 45.298 45.100 -0.049 0.000 0.625 516 G HN 0.537 nan 8.290 nan 0.000 0.527 517 R N 0.056 120.525 120.500 -0.051 0.000 2.357 517 R HA 0.092 4.430 4.340 -0.002 0.000 0.202 517 R C 1.227 177.494 176.300 -0.054 0.000 1.047 517 R CA 1.103 57.178 56.100 -0.042 0.000 1.034 517 R CB 0.085 30.365 30.300 -0.032 0.000 0.875 517 R HN 0.509 nan 8.270 nan 0.000 0.473 518 R N 0.654 121.101 120.500 -0.089 0.000 2.564 518 R HA 0.078 4.417 4.340 -0.002 0.000 0.284 518 R C -1.399 174.831 176.300 -0.117 0.000 1.031 518 R CA -0.735 55.302 56.100 -0.106 0.000 0.904 518 R CB 1.368 31.575 30.300 -0.156 0.000 1.199 518 R HN -0.222 nan 8.270 nan 0.000 0.443 519 Q N 1.890 121.655 119.800 -0.059 0.000 2.271 519 Q HA 0.065 4.404 4.340 -0.002 0.000 0.273 519 Q C 0.291 176.288 176.000 -0.005 0.000 1.051 519 Q CA 0.837 56.627 55.803 -0.021 0.000 0.901 519 Q CB 1.341 30.087 28.738 0.012 0.000 1.174 519 Q HN 0.751 nan 8.270 nan 0.000 0.385 520 T N 0.240 114.808 114.554 0.024 0.000 3.044 520 T HA 0.234 4.583 4.350 -0.002 0.000 0.250 520 T C 0.238 175.086 174.700 0.246 0.000 1.081 520 T CA -0.012 62.180 62.100 0.152 0.000 1.040 520 T CB 0.221 69.175 68.868 0.142 0.000 0.962 520 T HN 0.374 nan 8.240 nan 0.000 0.506 521 K N 1.754 122.248 120.400 0.158 0.000 2.234 521 K HA 0.504 4.823 4.320 -0.002 0.000 0.282 521 K C -0.434 176.253 176.600 0.145 0.000 1.039 521 K CA -0.146 56.238 56.287 0.162 0.000 0.928 521 K CB 0.822 33.377 32.500 0.092 0.000 1.039 521 K HN 0.427 nan 8.250 nan 0.000 0.470 522 E N 0.810 121.117 120.200 0.179 0.000 2.552 522 E HA 0.212 4.561 4.350 -0.002 0.000 0.297 522 E C -0.618 176.054 176.600 0.120 0.000 1.038 522 E CA 0.003 56.468 56.400 0.109 0.000 0.856 522 E CB 1.032 30.774 29.700 0.070 0.000 1.222 522 E HN 0.684 nan 8.360 nan 0.000 0.422 523 G N 2.239 111.031 108.800 -0.012 0.000 2.198 523 G HA2 -0.128 3.830 3.960 -0.002 0.000 0.257 523 G HA3 -0.128 3.830 3.960 -0.002 0.000 0.257 523 G C 0.948 175.515 174.900 -0.555 0.000 1.042 523 G CA 0.925 45.944 45.100 -0.136 0.000 0.791 523 G HN 1.725 nan 8.290 nan 0.000 0.502 524 G N -2.326 106.237 108.800 -0.396 0.000 2.245 524 G HA2 -0.231 3.727 3.960 -0.002 0.000 0.264 524 G HA3 -0.231 3.727 3.960 -0.002 0.000 0.264 524 G C 0.354 175.023 174.900 -0.386 0.000 0.985 524 G CA 1.291 46.102 45.100 -0.482 0.000 0.625 524 G HN 1.664 nan 8.290 nan 0.000 0.536 525 Y N 0.012 120.345 120.300 0.054 0.000 2.598 525 Y HA 0.720 5.269 4.550 -0.002 0.000 0.340 525 Y C -0.179 175.747 175.900 0.043 0.000 1.038 525 Y CA -2.203 55.900 58.100 0.004 0.000 1.100 525 Y CB 0.977 39.389 38.460 -0.081 0.000 1.281 525 Y HN -0.019 nan 8.280 nan 0.000 0.488 526 D N 0.093 120.592 120.400 0.165 0.000 2.317 526 D HA 0.169 4.808 4.640 -0.002 0.000 0.234 526 D C -0.438 175.910 176.300 0.080 0.000 1.112 526 D CA -0.220 53.867 54.000 0.145 0.000 0.840 526 D CB 0.411 41.268 40.800 0.096 0.000 1.078 526 D HN 0.624 nan 8.370 nan 0.000 0.486 527 H N 2.063 121.221 119.070 0.146 0.000 2.538 527 H HA 0.283 4.838 4.556 -0.002 0.000 0.286 527 H C 1.591 176.994 175.328 0.125 0.000 1.035 527 H CA 0.339 56.444 56.048 0.094 0.000 1.169 527 H CB 0.651 30.483 29.762 0.117 0.000 1.417 527 H HN 0.472 nan 8.280 nan 0.000 0.567 528 A N 1.008 123.967 122.820 0.231 0.000 1.908 528 A HA -0.178 4.140 4.320 -0.002 0.000 0.218 528 A C 2.191 179.826 177.584 0.085 0.000 1.181 528 A CA 1.710 53.873 52.037 0.210 0.000 0.627 528 A CB -0.721 18.341 19.000 0.103 0.000 0.818 528 A HN 0.649 nan 8.150 nan 0.000 0.445 529 I N -3.202 117.352 120.570 -0.026 0.000 2.676 529 I HA -0.084 4.085 4.170 -0.002 0.000 0.259 529 I C 2.009 177.968 176.117 -0.263 0.000 1.194 529 I CA 1.608 62.842 61.300 -0.109 0.000 1.473 529 I CB -0.330 37.607 38.000 -0.105 0.000 1.096 529 I HN 0.081 nan 8.210 nan 0.000 0.443 530 S N 1.469 116.928 115.700 -0.402 0.000 2.355 530 S HA -0.026 4.443 4.470 -0.002 0.000 0.222 530 S C 1.670 175.425 174.600 -1.408 0.000 1.031 530 S CA 1.393 59.025 58.200 -0.947 0.000 0.993 530 S CB -0.486 62.114 63.200 -1.000 0.000 0.859 530 S HN 0.486 nan 8.310 nan 0.000 0.453 531 F N 2.018 121.523 119.950 -0.741 0.000 2.126 531 F HA -0.131 4.395 4.527 -0.002 0.000 0.299 531 F C 2.663 178.364 175.800 -0.165 0.000 1.096 531 F CA 1.123 58.941 58.000 -0.303 0.000 1.255 531 F CB -0.645 38.339 39.000 -0.026 0.000 0.997 531 F HN 0.209 nan 8.300 nan 0.000 0.479 532 Q N -0.269 119.521 119.800 -0.017 0.000 2.084 532 Q HA -0.236 4.103 4.340 -0.002 0.000 0.202 532 Q C 1.881 177.827 176.000 -0.088 0.000 0.978 532 Q CA 1.783 57.568 55.803 -0.030 0.000 0.844 532 Q CB -0.338 28.372 28.738 -0.046 0.000 0.898 532 Q HN 0.331 nan 8.270 nan 0.000 0.426 533 D N -0.335 119.931 120.400 -0.223 0.000 2.106 533 D HA -0.198 4.441 4.640 -0.002 0.000 0.191 533 D C 1.357 177.579 176.300 -0.130 0.000 0.997 533 D CA 1.319 55.182 54.000 -0.229 0.000 0.834 533 D CB -0.040 40.551 40.800 -0.347 0.000 0.956 533 D HN 0.306 nan 8.370 nan 0.000 0.448 534 W N 0.222 121.496 121.300 -0.044 0.000 2.374 534 W HA -0.037 4.622 4.660 -0.002 0.000 0.288 534 W C 2.140 178.658 176.519 -0.002 0.000 1.218 534 W CA 0.025 57.339 57.345 -0.052 0.000 1.245 534 W CB -1.369 28.208 29.460 0.195 0.000 1.126 534 W HN 0.160 nan 8.180 nan 0.000 0.545 535 L N 1.398 122.765 121.223 0.240 0.000 2.056 535 L HA -0.108 4.231 4.340 -0.002 0.000 0.207 535 L C 2.251 179.189 176.870 0.114 0.000 1.078 535 L CA 1.918 56.868 54.840 0.184 0.000 0.749 535 L CB -0.842 41.304 42.059 0.144 0.000 0.901 535 L HN -0.195 nan 8.230 nan 0.000 0.433 536 K N -0.476 119.948 120.400 0.040 0.000 2.063 536 K HA -0.200 4.119 4.320 -0.002 0.000 0.208 536 K C 2.095 178.712 176.600 0.029 0.000 1.048 536 K CA 1.716 58.015 56.287 0.020 0.000 0.928 536 K CB -0.139 32.342 32.500 -0.031 0.000 0.713 536 K HN 0.309 nan 8.250 nan 0.000 0.442 537 K N 0.843 121.202 120.400 -0.068 0.000 2.009 537 K HA -0.119 4.200 4.320 -0.002 0.000 0.210 537 K C 2.124 178.719 176.600 -0.008 0.000 1.049 537 K CA 1.320 57.508 56.287 -0.164 0.000 0.929 537 K CB -0.195 31.920 32.500 -0.642 0.000 0.714 537 K HN 0.056 nan 8.250 nan 0.000 0.440 538 L N 0.243 121.519 121.223 0.088 0.000 2.046 538 L HA -0.225 4.113 4.340 -0.002 0.000 0.208 538 L C 2.785 179.728 176.870 0.121 0.000 1.077 538 L CA 1.240 56.182 54.840 0.170 0.000 0.747 538 L CB -0.629 41.560 42.059 0.217 0.000 0.896 538 L HN 0.413 nan 8.230 nan 0.000 0.432 539 H N -0.759 118.335 119.070 0.040 0.000 2.387 539 H HA -0.166 4.389 4.556 -0.002 0.000 0.299 539 H C 2.423 177.762 175.328 0.017 0.000 1.090 539 H CA 1.780 57.842 56.048 0.024 0.000 1.332 539 H CB 0.329 30.102 29.762 0.019 0.000 1.386 539 H HN 0.263 nan 8.280 nan 0.000 0.516 540 S N -0.199 115.572 115.700 0.117 0.000 2.383 540 S HA -0.137 4.332 4.470 -0.002 0.000 0.227 540 S C 2.329 176.932 174.600 0.005 0.000 1.026 540 S CA 1.237 59.473 58.200 0.059 0.000 0.981 540 S CB -0.118 63.124 63.200 0.071 0.000 0.818 540 S HN 0.366 nan 8.310 nan 0.000 0.472 541 R N 1.003 121.518 120.500 0.025 0.000 2.066 541 R HA 0.072 4.411 4.340 -0.002 0.000 0.232 541 R C 2.069 178.369 176.300 -0.001 0.000 1.131 541 R CA 1.977 58.099 56.100 0.036 0.000 0.955 541 R CB -1.201 29.145 30.300 0.076 0.000 0.851 541 R HN 0.346 nan 8.270 nan 0.000 0.432 542 V N 0.284 120.171 119.914 -0.044 0.000 2.407 542 V HA -0.228 3.891 4.120 -0.002 0.000 0.248 542 V C 2.045 178.069 176.094 -0.118 0.000 1.055 542 V CA 2.314 64.565 62.300 -0.081 0.000 1.049 542 V CB -0.699 31.063 31.823 -0.101 0.000 0.662 542 V HN 0.464 nan 8.190 nan 0.000 0.455 543 T N -0.226 114.212 114.554 -0.193 0.000 2.684 543 T HA -0.234 4.115 4.350 -0.002 0.000 0.267 543 T C 1.936 176.592 174.700 -0.073 0.000 1.036 543 T CA 1.651 63.645 62.100 -0.177 0.000 1.148 543 T CB -0.227 68.516 68.868 -0.209 0.000 0.863 543 T HN 0.474 nan 8.240 nan 0.000 0.436 544 K N 0.588 120.972 120.400 -0.027 0.000 2.148 544 K HA -0.016 4.303 4.320 -0.002 0.000 0.204 544 K C 1.703 178.336 176.600 0.056 0.000 1.050 544 K CA 0.799 57.100 56.287 0.024 0.000 0.942 544 K CB 0.096 32.618 32.500 0.038 0.000 0.724 544 K HN 0.180 nan 8.250 nan 0.000 0.446 545 E N 0.765 120.999 120.200 0.057 0.000 2.451 545 E HA -0.008 4.341 4.350 -0.002 0.000 0.194 545 E C 1.327 177.987 176.600 0.101 0.000 1.027 545 E CA -0.010 56.462 56.400 0.120 0.000 0.914 545 E CB 0.332 30.145 29.700 0.189 0.000 1.054 545 E HN 0.330 nan 8.360 nan 0.000 0.461 546 R N 0.140 120.633 120.500 -0.012 0.000 2.091 546 R HA -0.154 4.185 4.340 -0.002 0.000 0.238 546 R C 1.525 177.778 176.300 -0.079 0.000 1.136 546 R CA 1.140 57.182 56.100 -0.097 0.000 0.959 546 R CB -0.680 29.485 30.300 -0.224 0.000 0.856 546 R HN 0.249 nan 8.270 nan 0.000 0.437 547 H N 0.915 120.022 119.070 0.062 0.000 2.319 547 H HA -0.022 4.533 4.556 -0.002 0.000 0.299 547 H C 2.296 177.682 175.328 0.098 0.000 1.092 547 H CA 1.828 57.910 56.048 0.057 0.000 1.302 547 H CB -0.189 29.593 29.762 0.034 0.000 1.373 547 H HN 0.300 nan 8.280 nan 0.000 0.497 548 R N 0.288 120.948 120.500 0.266 0.000 2.075 548 R HA -0.048 4.291 4.340 -0.002 0.000 0.232 548 R C 2.687 179.300 176.300 0.522 0.000 1.126 548 R CA 0.667 56.960 56.100 0.322 0.000 0.963 548 R CB -0.162 30.275 30.300 0.229 0.000 0.858 548 R HN 0.195 nan 8.270 nan 0.000 0.435 549 L N 0.588 122.064 121.223 0.421 0.000 2.131 549 L HA -0.145 4.194 4.340 -0.002 0.000 0.210 549 L C 2.298 179.317 176.870 0.248 0.000 1.092 549 L CA 1.327 56.357 54.840 0.316 0.000 0.759 549 L CB -0.373 41.727 42.059 0.068 0.000 0.903 549 L HN 0.264 nan 8.230 nan 0.000 0.435 550 S N -0.750 115.036 115.700 0.143 0.000 2.555 550 S HA -0.071 4.398 4.470 -0.002 0.000 0.230 550 S C 1.839 176.445 174.600 0.009 0.000 0.978 550 S CA 0.195 58.430 58.200 0.057 0.000 0.934 550 S CB -0.284 62.924 63.200 0.014 0.000 0.766 550 S HN 0.395 nan 8.310 nan 0.000 0.533 551 R N -0.259 120.227 120.500 -0.024 0.000 2.236 551 R HA 0.245 4.584 4.340 -0.002 0.000 0.208 551 R C -0.621 175.333 176.300 -0.577 0.000 1.036 551 R CA 0.538 56.423 56.100 -0.358 0.000 1.001 551 R CB -0.034 29.908 30.300 -0.596 0.000 0.896 551 R HN 0.434 nan 8.270 nan 0.000 0.464 552 F N -1.321 118.643 119.950 0.024 0.000 2.532 552 F HA 0.258 4.784 4.527 -0.002 0.000 0.321 552 F C 1.344 177.117 175.800 -0.044 0.000 1.089 552 F CA -0.825 57.169 58.000 -0.010 0.000 0.926 552 F CB 1.948 40.942 39.000 -0.010 0.000 1.168 552 F HN -0.262 nan 8.300 nan 0.000 0.459 553 S N 0.478 116.249 115.700 0.117 0.000 2.370 553 S HA -0.223 4.245 4.470 -0.002 0.000 0.226 553 S C 2.216 176.819 174.600 0.005 0.000 1.033 553 S CA 1.886 60.112 58.200 0.043 0.000 1.011 553 S CB -0.421 62.800 63.200 0.034 0.000 0.852 553 S HN 0.793 nan 8.310 nan 0.000 0.457 554 S N 1.723 117.400 115.700 -0.037 0.000 2.368 554 S HA -0.032 4.437 4.470 -0.002 0.000 0.225 554 S C 2.131 176.660 174.600 -0.118 0.000 1.030 554 S CA 1.138 59.251 58.200 -0.144 0.000 0.999 554 S CB -1.246 61.774 63.200 -0.300 0.000 0.844 554 S HN 0.520 nan 8.310 nan 0.000 0.459 555 G N 2.023 110.782 108.800 -0.069 0.000 2.421 555 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.216 555 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.216 555 G C 1.529 176.412 174.900 -0.029 0.000 1.171 555 G CA 0.850 45.913 45.100 -0.062 0.000 0.775 555 G HN 0.565 nan 8.290 nan 0.000 0.543 556 K N 0.360 120.762 120.400 0.003 0.000 2.103 556 K HA -0.063 4.255 4.320 -0.002 0.000 0.207 556 K C 2.562 179.153 176.600 -0.015 0.000 1.048 556 K CA 1.217 57.501 56.287 -0.004 0.000 0.930 556 K CB -0.113 32.389 32.500 0.004 0.000 0.716 556 K HN 0.226 nan 8.250 nan 0.000 0.444 557 K N 0.318 120.705 120.400 -0.021 0.000 2.057 557 K HA -0.058 4.260 4.320 -0.002 0.000 0.207 557 K C 2.148 178.733 176.600 -0.025 0.000 1.049 557 K CA 1.367 57.642 56.287 -0.019 0.000 0.931 557 K CB -0.027 32.459 32.500 -0.023 0.000 0.714 557 K HN 0.140 nan 8.250 nan 0.000 0.440 558 M N 0.319 119.891 119.600 -0.046 0.000 2.132 558 M HA -0.119 4.360 4.480 -0.002 0.000 0.263 558 M C 2.201 178.483 176.300 -0.029 0.000 1.065 558 M CA 1.472 56.746 55.300 -0.044 0.000 1.122 558 M CB -0.329 32.225 32.600 -0.077 0.000 1.365 558 M HN 0.113 nan 8.290 nan 0.000 0.411 559 I N -0.114 120.434 120.570 -0.036 0.000 2.226 559 I HA -0.266 3.903 4.170 -0.002 0.000 0.245 559 I C 2.695 178.804 176.117 -0.013 0.000 1.100 559 I CA 1.109 62.389 61.300 -0.034 0.000 1.374 559 I CB -0.427 37.548 38.000 -0.040 0.000 1.057 559 I HN 0.298 nan 8.210 nan 0.000 0.413 560 E N 0.698 120.893 120.200 -0.009 0.000 2.051 560 E HA -0.194 4.155 4.350 -0.002 0.000 0.192 560 E C 2.198 178.804 176.600 0.010 0.000 0.991 560 E CA 1.918 58.319 56.400 0.002 0.000 0.799 560 E CB -0.276 29.425 29.700 0.002 0.000 0.748 560 E HN 0.383 nan 8.360 nan 0.000 0.449 561 T N 1.839 116.399 114.554 0.010 0.000 2.635 561 T HA -0.171 4.178 4.350 -0.002 0.000 0.267 561 T C 2.114 176.835 174.700 0.034 0.000 1.040 561 T CA 1.484 63.596 62.100 0.019 0.000 1.156 561 T CB -0.332 68.546 68.868 0.016 0.000 0.863 561 T HN 0.133 nan 8.240 nan 0.000 0.430 562 L N 0.464 121.714 121.223 0.045 0.000 2.046 562 L HA -0.082 4.257 4.340 -0.002 0.000 0.208 562 L C 2.969 179.889 176.870 0.083 0.000 1.077 562 L CA 1.225 56.119 54.840 0.089 0.000 0.747 562 L CB -0.564 41.567 42.059 0.121 0.000 0.896 562 L HN 0.253 nan 8.230 nan 0.000 0.432 563 A N -0.500 122.352 122.820 0.053 0.000 1.930 563 A HA -0.232 4.087 4.320 -0.002 0.000 0.217 563 A C 2.043 179.646 177.584 0.032 0.000 1.175 563 A CA 1.771 53.834 52.037 0.043 0.000 0.627 563 A CB -0.748 18.267 19.000 0.025 0.000 0.815 563 A HN 0.530 nan 8.150 nan 0.000 0.443 564 N N -0.638 118.077 118.700 0.026 0.000 2.515 564 N HA 0.013 4.752 4.740 -0.002 0.000 0.185 564 N C 1.569 177.090 175.510 0.019 0.000 1.109 564 N CA 0.448 53.510 53.050 0.019 0.000 0.903 564 N CB -0.059 38.438 38.487 0.016 0.000 0.969 564 N HN 0.555 nan 8.380 nan 0.000 0.450 565 L N 0.370 121.608 121.223 0.024 0.000 2.249 565 L HA 0.062 4.401 4.340 -0.002 0.000 0.207 565 L C 2.438 179.315 176.870 0.011 0.000 1.090 565 L CA 0.470 55.321 54.840 0.019 0.000 0.802 565 L CB -0.151 41.924 42.059 0.026 0.000 0.947 565 L HN 0.036 nan 8.230 nan 0.000 0.453 566 R N -0.299 120.211 120.500 0.016 0.000 2.148 566 R HA -0.023 4.316 4.340 -0.002 0.000 0.227 566 R C 0.882 177.186 176.300 0.006 0.000 1.103 566 R CA 0.649 56.754 56.100 0.008 0.000 0.983 566 R CB 0.059 30.369 30.300 0.017 0.000 0.874 566 R HN 0.342 nan 8.270 nan 0.000 0.451 567 S N 0.000 115.705 115.700 0.009 0.000 2.498 567 S HA 0.000 4.469 4.470 -0.002 0.000 0.327 567 S CA 0.000 58.204 58.200 0.007 0.000 1.107 567 S CB 0.000 63.205 63.200 0.009 0.000 0.593 567 S HN 0.000 nan 8.310 nan 0.000 0.517