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 3n9m_1_C DATA FIRST_RESID 193 DATA SEQUENCE KESDRCGGCG KFTHEXXXXX XXXXXXXXXX XXXMSKKKSH HHKKNDFQWI DATA SEQUENCE GCDSCQTWYH FLCSGLEQFE YYLYEKFFCP KCVPHTGHSI RYKVVAPHRY DATA SEQUENCE RWYSPNEKHL GIEVGSKTWI EDFITRENTV PSPTDDEVCI VEDGYEFRRE DATA SEQUENCE FEKLGGADNW GKVFMVKDMD GLNMTMPKPG FDLEDVVKIM GSDYEVDTID DATA SEQUENCE VYNQSTYSMK LDTFRKLFRD TKNRPLLYNF LSLEFSDNNE MKEIAKPPRF DATA SEQUENCE VQEISMVNRL WPXXXXXXXX XXXXXXXYLP EDQRPKVEQF CLAGMAGSYT DATA SEQUENCE DFHVDFGGSS VYYHILKGEK IFYIAAPTEQ NFAAYQAHET SPDTTTWFGD DATA SEQUENCE IANGAVKRVV IKEGQTLLIP AGWIHAVLTP VDSLVFGGNF LHLGNLEMQM DATA SEQUENCE RVYHLENAIR KEIRSEEKFY FPNFELLHWM YMRNVLLEKI TEANQEGSDM DATA SEQUENCE REQEKNIWTA SQIMKAEMER WMDRELRLGP EKNAILPTDD KNKIMISVRK DATA SEQUENCE QIEIQTKIQN AKNK 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 193 K HA 0.000 nan 4.320 nan 0.000 0.191 193 K C 0.000 176.136 176.600 -0.773 0.000 0.988 193 K CA 0.000 55.591 56.287 -1.160 0.000 0.838 193 K CB 0.000 31.587 32.500 -1.521 0.000 1.064 194 E N 0.344 120.137 120.200 -0.679 0.000 3.363 194 E HA 0.296 4.646 4.350 -0.000 0.000 0.481 194 E C 0.039 176.352 176.600 -0.478 0.000 0.318 194 E CA -0.293 55.850 56.400 -0.428 0.000 2.823 194 E CB 0.211 29.760 29.700 -0.251 0.000 2.283 194 E HN 0.378 nan 8.360 nan 0.000 0.441 195 S N 1.022 116.540 115.700 -0.303 0.000 2.481 195 S HA 0.149 4.619 4.470 -0.000 0.000 0.243 195 S C -1.138 173.408 174.600 -0.091 0.000 1.152 195 S CA -0.225 57.843 58.200 -0.220 0.000 1.168 195 S CB -0.425 62.709 63.200 -0.110 0.000 0.835 195 S HN 0.246 nan 8.310 nan 0.000 0.474 196 D N 2.435 122.661 120.400 -0.290 0.000 2.346 196 D HA 0.247 4.887 4.640 -0.000 0.000 0.249 196 D C 0.746 176.901 176.300 -0.241 0.000 1.308 196 D CA -0.381 53.511 54.000 -0.179 0.000 0.987 196 D CB 0.459 41.144 40.800 -0.192 0.000 1.114 196 D HN 0.368 nan 8.370 nan 0.000 0.529 197 R N -0.972 119.367 120.500 -0.267 0.000 2.664 197 R HA 0.578 4.918 4.340 -0.000 0.000 0.286 197 R C -1.064 175.183 176.300 -0.089 0.000 0.967 197 R CA -0.975 54.865 56.100 -0.432 0.000 0.933 197 R CB 1.064 30.885 30.300 -0.797 0.000 1.146 197 R HN 0.516 nan 8.270 nan 0.000 0.468 198 C N 2.979 122.271 119.300 -0.012 0.000 2.566 198 C HA 0.354 4.814 4.460 -0.000 0.000 0.393 198 C C 1.769 176.653 174.990 -0.177 0.000 1.309 198 C CA 0.184 59.149 59.018 -0.089 0.000 1.801 198 C CB -0.423 27.128 27.740 -0.314 0.000 2.493 198 C HN 1.004 nan 8.230 nan 0.000 0.575 199 G N 3.837 112.404 108.800 -0.389 0.000 2.776 199 G HA2 0.217 4.177 3.960 -0.000 0.000 0.209 199 G HA3 0.217 4.177 3.960 -0.000 0.000 0.209 199 G C 1.153 176.066 174.900 0.022 0.000 1.145 199 G CA 0.719 45.624 45.100 -0.325 0.000 0.791 199 G HN 1.101 nan 8.290 nan 0.000 0.530 200 G N -1.099 107.771 108.800 0.117 0.000 2.945 200 G HA2 0.138 4.098 3.960 -0.000 0.000 0.225 200 G HA3 0.138 4.098 3.960 -0.000 0.000 0.225 200 G C 1.089 176.063 174.900 0.123 0.000 1.046 200 G CA 1.061 46.289 45.100 0.212 0.000 0.842 200 G HN 0.745 nan 8.290 nan 0.000 0.543 201 C N -3.216 116.135 119.300 0.084 0.000 4.154 201 C HA 0.599 5.059 4.460 -0.000 0.000 0.359 201 C C 1.993 177.010 174.990 0.046 0.000 1.702 201 C CA 0.394 59.464 59.018 0.087 0.000 1.900 201 C CB 0.317 28.146 27.740 0.149 0.000 3.051 201 C HN 1.277 nan 8.230 nan 0.000 0.670 202 G N 1.992 110.783 108.800 -0.015 0.000 2.284 202 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.247 202 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.247 202 G C 0.288 175.089 174.900 -0.164 0.000 1.012 202 G CA 0.679 45.731 45.100 -0.081 0.000 0.618 202 G HN 0.727 nan 8.290 nan 0.000 0.521 203 K N -0.498 119.878 120.400 -0.041 0.000 2.159 203 K HA 0.540 4.860 4.320 -0.000 0.000 0.242 203 K C 0.275 176.784 176.600 -0.152 0.000 1.043 203 K CA 0.177 56.474 56.287 0.018 0.000 0.856 203 K CB 0.235 32.852 32.500 0.195 0.000 1.072 203 K HN 0.158 nan 8.250 nan 0.000 0.514 204 F N -0.961 119.014 119.950 0.043 0.000 2.656 204 F HA 0.113 4.640 4.527 -0.000 0.000 0.394 204 F C 1.682 177.407 175.800 -0.124 0.000 1.168 204 F CA -0.597 57.315 58.000 -0.147 0.000 1.135 204 F CB 0.674 39.405 39.000 -0.448 0.000 1.480 204 F HN 0.329 nan 8.300 nan 0.000 0.500 205 T N -0.620 113.831 114.554 -0.173 0.000 3.473 205 T HA 0.113 4.462 4.350 -0.000 0.000 0.247 205 T C -0.751 173.937 174.700 -0.019 0.000 1.010 205 T CA 0.086 62.109 62.100 -0.129 0.000 0.940 205 T CB -1.640 67.027 68.868 -0.335 0.000 1.068 205 T HN 0.344 nan 8.240 nan 0.000 0.604 206 H N 0.910 120.114 119.070 0.223 0.000 2.673 206 H HA 0.596 5.151 4.556 -0.000 0.000 0.293 206 H C -0.233 175.182 175.328 0.145 0.000 1.065 206 H CA -0.928 55.205 56.048 0.142 0.000 1.236 206 H CB 0.758 30.580 29.762 0.100 0.000 1.389 206 H HN 0.352 nan 8.280 nan 0.000 0.481 227 S N -0.926 114.743 115.700 -0.051 0.000 2.570 227 S HA 0.560 5.030 4.470 -0.000 0.000 0.270 227 S C -0.620 173.604 174.600 -0.627 0.000 1.149 227 S CA -1.085 56.988 58.200 -0.213 0.000 0.837 227 S CB 2.332 65.426 63.200 -0.176 0.000 1.124 227 S HN 0.176 nan 8.310 nan 0.000 0.465 228 K N 1.270 120.981 120.400 -1.148 0.000 2.320 228 K HA 0.042 4.361 4.320 -0.000 0.000 0.273 228 K C -0.522 175.620 176.600 -0.764 0.000 1.146 228 K CA 0.550 55.829 56.287 -1.679 0.000 1.144 228 K CB -0.221 31.603 32.500 -1.126 0.000 0.878 228 K HN 0.613 nan 8.250 nan 0.000 0.458 229 K N 4.079 124.147 120.400 -0.553 0.000 2.501 229 K HA 0.215 4.535 4.320 -0.000 0.000 0.252 229 K C -0.580 176.016 176.600 -0.005 0.000 0.934 229 K CA -0.634 55.552 56.287 -0.169 0.000 0.797 229 K CB 1.171 33.639 32.500 -0.053 0.000 1.270 229 K HN 0.372 nan 8.250 nan 0.000 0.431 230 K N 0.600 120.961 120.400 -0.065 0.000 2.558 230 K HA 0.023 4.343 4.320 -0.000 0.000 0.215 230 K C 1.179 177.660 176.600 -0.200 0.000 1.298 230 K CA 0.411 56.633 56.287 -0.109 0.000 1.008 230 K CB 1.026 33.447 32.500 -0.131 0.000 1.073 230 K HN 0.638 nan 8.250 nan 0.000 0.606 231 S N 1.363 116.987 115.700 -0.127 0.000 2.428 231 S HA -0.144 4.325 4.470 -0.000 0.000 0.230 231 S C 1.852 176.380 174.600 -0.119 0.000 1.014 231 S CA 0.731 58.902 58.200 -0.050 0.000 0.957 231 S CB -0.622 62.611 63.200 0.054 0.000 0.784 231 S HN 0.438 nan 8.310 nan 0.000 0.499 232 H N -0.155 118.824 119.070 -0.151 0.000 2.567 232 H HA 0.078 4.634 4.556 -0.000 0.000 0.276 232 H C 1.333 176.493 175.328 -0.279 0.000 1.016 232 H CA 1.041 56.971 56.048 -0.197 0.000 1.186 232 H CB -0.755 28.864 29.762 -0.237 0.000 1.351 232 H HN 0.563 nan 8.280 nan 0.000 0.605 233 H N 1.510 120.252 119.070 -0.546 0.000 2.415 233 H HA -0.023 4.533 4.556 -0.000 0.000 0.297 233 H C 0.853 175.986 175.328 -0.325 0.000 1.048 233 H CA 1.029 56.790 56.048 -0.478 0.000 1.365 233 H CB 0.166 29.554 29.762 -0.624 0.000 1.421 233 H HN 0.756 nan 8.280 nan 0.000 0.533 234 H N 0.294 119.404 119.070 0.066 0.000 2.640 234 H HA 0.226 4.782 4.556 -0.000 0.000 0.312 234 H C 0.730 176.102 175.328 0.075 0.000 1.110 234 H CA -0.137 55.956 56.048 0.075 0.000 1.098 234 H CB 0.101 29.926 29.762 0.104 0.000 1.485 234 H HN 0.152 nan 8.280 nan 0.000 0.526 235 K N 1.163 121.642 120.400 0.132 0.000 2.505 235 K HA 0.035 4.354 4.320 -0.000 0.000 0.192 235 K C 1.145 177.814 176.600 0.114 0.000 1.025 235 K CA 0.036 56.389 56.287 0.110 0.000 1.086 235 K CB 0.277 32.828 32.500 0.085 0.000 0.840 235 K HN 0.258 nan 8.250 nan 0.000 0.514 236 K N 0.093 120.565 120.400 0.120 0.000 2.487 236 K HA 0.037 4.357 4.320 -0.000 0.000 0.192 236 K C 0.937 177.596 176.600 0.098 0.000 1.027 236 K CA 0.348 56.708 56.287 0.123 0.000 1.054 236 K CB 0.169 32.733 32.500 0.105 0.000 0.824 236 K HN 0.213 nan 8.250 nan 0.000 0.510 237 N N 0.495 119.220 118.700 0.041 0.000 2.348 237 N HA -0.049 4.691 4.740 -0.000 0.000 0.183 237 N C 0.449 175.762 175.510 -0.328 0.000 1.094 237 N CA 0.123 53.094 53.050 -0.132 0.000 0.885 237 N CB 0.435 38.810 38.487 -0.186 0.000 1.065 237 N HN 0.058 nan 8.380 nan 0.000 0.472 238 D N 0.469 120.715 120.400 -0.257 0.000 2.239 238 D HA -0.139 4.501 4.640 -0.000 0.000 0.202 238 D C -0.076 175.774 176.300 -0.751 0.000 0.993 238 D CA 1.293 54.969 54.000 -0.540 0.000 0.874 238 D CB -0.047 40.350 40.800 -0.672 0.000 0.922 238 D HN 0.263 nan 8.370 nan 0.000 0.464 239 F N -0.372 119.535 119.950 -0.071 0.000 2.739 239 F HA 0.329 4.856 4.527 -0.000 0.000 0.345 239 F C 1.358 177.201 175.800 0.072 0.000 1.373 239 F CA -0.387 57.538 58.000 -0.126 0.000 1.160 239 F CB 0.467 39.307 39.000 -0.266 0.000 1.137 239 F HN -0.257 nan 8.300 nan 0.000 0.524 240 Q N -0.474 119.516 119.800 0.316 0.000 2.189 240 Q HA 0.194 4.534 4.340 -0.000 0.000 0.223 240 Q C -1.110 175.232 176.000 0.571 0.000 0.828 240 Q CA -0.050 56.019 55.803 0.443 0.000 0.967 240 Q CB 0.731 29.658 28.738 0.314 0.000 1.139 240 Q HN 0.407 nan 8.270 nan 0.000 0.497 241 W N 0.092 121.542 121.300 0.251 0.000 3.079 241 W HA -0.207 4.453 4.660 -0.000 0.000 0.460 241 W C -1.030 175.427 176.519 -0.102 0.000 1.854 241 W CA -0.341 57.032 57.345 0.047 0.000 0.459 241 W CB -1.165 28.338 29.460 0.071 0.000 2.859 241 W HN 0.147 nan 8.180 nan 0.000 0.416 242 I N 3.507 123.978 120.570 -0.164 0.000 2.608 242 I HA 0.865 5.035 4.170 -0.000 0.000 0.295 242 I C 0.319 176.351 176.117 -0.142 0.000 1.049 242 I CA -0.824 60.292 61.300 -0.306 0.000 1.063 242 I CB 1.866 39.257 38.000 -1.014 0.000 1.248 242 I HN 0.408 nan 8.210 nan 0.000 0.424 243 G N 5.366 113.889 108.800 -0.462 0.000 2.379 243 G HA2 0.450 4.410 3.960 -0.000 0.000 0.327 243 G HA3 0.450 4.410 3.960 -0.000 0.000 0.327 243 G C -0.913 173.863 174.900 -0.207 0.000 1.145 243 G CA -0.512 44.113 45.100 -0.792 0.000 0.905 243 G HN 0.807 nan 8.290 nan 0.000 0.466 244 C N 2.292 121.558 119.300 -0.056 0.000 2.629 244 C HA 0.216 4.676 4.460 -0.000 0.000 0.410 244 C C 1.524 176.444 174.990 -0.118 0.000 1.339 244 C CA -0.277 58.727 59.018 -0.024 0.000 1.810 244 C CB 0.087 27.846 27.740 0.031 0.000 2.549 244 C HN 0.865 nan 8.230 nan 0.000 0.589 245 D N 2.529 122.850 120.400 -0.132 0.000 2.363 245 D HA 0.004 4.644 4.640 -0.000 0.000 0.226 245 D C 1.657 178.009 176.300 0.086 0.000 1.020 245 D CA 1.107 55.060 54.000 -0.077 0.000 0.892 245 D CB 0.454 41.134 40.800 -0.200 0.000 0.900 245 D HN 0.624 nan 8.370 nan 0.000 0.531 246 S N -1.746 114.025 115.700 0.118 0.000 2.783 246 S HA -0.012 4.458 4.470 -0.000 0.000 0.205 246 S C 2.020 176.639 174.600 0.031 0.000 0.910 246 S CA 0.445 58.700 58.200 0.092 0.000 0.861 246 S CB -0.563 62.674 63.200 0.062 0.000 0.830 246 S HN 0.565 nan 8.310 nan 0.000 0.630 247 C N 2.109 121.423 119.300 0.024 0.000 2.562 247 C HA 0.385 4.845 4.460 -0.000 0.000 0.266 247 C C 0.958 175.939 174.990 -0.015 0.000 1.382 247 C CA 0.115 59.142 59.018 0.015 0.000 1.742 247 C CB -1.058 26.703 27.740 0.035 0.000 1.812 247 C HN 0.647 nan 8.230 nan 0.000 0.559 248 Q N 0.960 120.728 119.800 -0.053 0.000 2.452 248 Q HA -0.199 4.141 4.340 -0.000 0.000 0.248 248 Q C 0.431 176.333 176.000 -0.163 0.000 0.874 248 Q CA 1.780 57.506 55.803 -0.127 0.000 1.208 248 Q CB -2.610 26.091 28.738 -0.063 0.000 1.569 248 Q HN 0.993 nan 8.270 nan 0.000 0.579 249 T N -2.763 111.721 114.554 -0.118 0.000 2.889 249 T HA 0.428 4.778 4.350 -0.000 0.000 0.291 249 T C -0.066 174.496 174.700 -0.229 0.000 0.995 249 T CA -0.526 61.490 62.100 -0.140 0.000 1.092 249 T CB 0.808 69.567 68.868 -0.182 0.000 0.954 249 T HN 0.241 nan 8.240 nan 0.000 0.506 250 W N 2.341 123.551 121.300 -0.149 0.000 2.365 250 W HA 0.569 5.229 4.660 -0.000 0.000 0.316 250 W C -0.707 175.734 176.519 -0.130 0.000 1.164 250 W CA -0.611 56.743 57.345 0.015 0.000 1.204 250 W CB 0.786 30.311 29.460 0.109 0.000 1.213 250 W HN 0.643 nan 8.180 nan 0.000 0.539 251 Y N 0.480 120.952 120.300 0.287 0.000 2.485 251 Y HA 0.210 4.760 4.550 -0.000 0.000 0.345 251 Y C 1.228 176.884 175.900 -0.407 0.000 0.998 251 Y CA -0.892 57.173 58.100 -0.058 0.000 1.059 251 Y CB 1.418 39.837 38.460 -0.069 0.000 1.234 251 Y HN 0.487 nan 8.280 nan 0.000 0.461 252 H N 0.928 119.678 119.070 -0.533 0.000 2.253 252 H HA -0.121 4.435 4.556 -0.000 0.000 0.296 252 H C 0.391 175.431 175.328 -0.479 0.000 1.067 252 H CA 3.145 58.713 56.048 -0.800 0.000 1.245 252 H CB 0.243 29.693 29.762 -0.520 0.000 1.364 252 H HN 0.762 nan 8.280 nan 0.000 0.494 253 F N -3.640 116.156 119.950 -0.257 0.000 1.722 253 F HA -0.129 4.398 4.527 -0.000 0.000 0.261 253 F C 0.348 175.986 175.800 -0.271 0.000 1.255 253 F CA 0.012 57.751 58.000 -0.436 0.000 1.264 253 F CB -0.296 38.216 39.000 -0.813 0.000 2.034 253 F HN -0.055 nan 8.300 nan 0.000 0.117 254 L N -0.118 121.081 121.223 -0.041 0.000 2.622 254 L HA 0.163 4.503 4.340 -0.000 0.000 0.233 254 L C 1.220 178.096 176.870 0.010 0.000 1.156 254 L CA 0.539 55.382 54.840 0.005 0.000 0.866 254 L CB -2.405 39.588 42.059 -0.111 0.000 0.980 254 L HN 0.336 nan 8.230 nan 0.000 0.448 255 C N -0.357 118.953 119.300 0.017 0.000 2.634 255 C HA 0.138 4.598 4.460 -0.000 0.000 0.268 255 C C 2.696 177.727 174.990 0.069 0.000 1.322 255 C CA 0.498 59.566 59.018 0.085 0.000 1.737 255 C CB -0.872 26.958 27.740 0.150 0.000 1.976 255 C HN 0.765 nan 8.230 nan 0.000 0.547 256 S N 0.187 115.866 115.700 -0.035 0.000 2.562 256 S HA 0.313 4.783 4.470 -0.000 0.000 0.221 256 S C 1.608 176.146 174.600 -0.103 0.000 0.975 256 S CA 1.209 59.267 58.200 -0.236 0.000 0.918 256 S CB -0.267 62.715 63.200 -0.363 0.000 0.772 256 S HN 0.977 nan 8.310 nan 0.000 0.531 257 G N 0.328 109.124 108.800 -0.006 0.000 2.213 257 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.236 257 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.236 257 G C -0.145 174.804 174.900 0.082 0.000 0.991 257 G CA 0.058 45.180 45.100 0.036 0.000 0.629 257 G HN 0.449 nan 8.290 nan 0.000 0.517 258 L N 1.867 123.158 121.223 0.115 0.000 2.456 258 L HA 0.454 4.793 4.340 -0.000 0.000 0.272 258 L C 0.913 177.834 176.870 0.084 0.000 1.189 258 L CA 0.137 55.060 54.840 0.137 0.000 0.846 258 L CB 0.572 42.777 42.059 0.243 0.000 1.111 258 L HN 0.385 nan 8.230 nan 0.000 0.475 259 E N 1.447 121.578 120.200 -0.115 0.000 2.318 259 E HA 0.097 4.447 4.350 -0.000 0.000 0.265 259 E C 0.463 176.711 176.600 -0.587 0.000 1.069 259 E CA -0.447 55.833 56.400 -0.200 0.000 0.893 259 E CB 0.808 30.488 29.700 -0.032 0.000 1.076 259 E HN 0.523 nan 8.360 nan 0.000 0.414 260 Q N 1.400 120.835 119.800 -0.609 0.000 2.096 260 Q HA -0.251 4.089 4.340 -0.000 0.000 0.208 260 Q C 1.809 177.262 176.000 -0.910 0.000 0.993 260 Q CA 2.226 57.373 55.803 -1.092 0.000 0.862 260 Q CB -0.231 28.272 28.738 -0.391 0.000 0.915 260 Q HN 0.723 nan 8.270 nan 0.000 0.416 261 F N 0.505 120.172 119.950 -0.472 0.000 2.451 261 F HA -0.028 4.499 4.527 -0.000 0.000 0.299 261 F C 1.263 176.821 175.800 -0.404 0.000 1.101 261 F CA 1.047 58.778 58.000 -0.448 0.000 1.436 261 F CB -0.280 38.691 39.000 -0.047 0.000 1.074 261 F HN 0.132 nan 8.300 nan 0.000 0.553 262 E N -1.503 118.064 120.200 -1.055 0.000 2.481 262 E HA -0.053 4.296 4.350 -0.000 0.000 0.198 262 E C 1.105 177.467 176.600 -0.396 0.000 1.027 262 E CA -0.207 55.710 56.400 -0.806 0.000 0.900 262 E CB -0.651 28.542 29.700 -0.845 0.000 0.993 262 E HN 0.324 nan 8.360 nan 0.000 0.482 263 Y N 1.094 121.169 120.300 -0.376 0.000 2.181 263 Y HA -0.271 4.279 4.550 -0.000 0.000 0.284 263 Y C 2.019 177.848 175.900 -0.118 0.000 1.179 263 Y CA 1.151 59.114 58.100 -0.228 0.000 1.179 263 Y CB -0.956 37.182 38.460 -0.537 0.000 0.973 263 Y HN 0.420 nan 8.280 nan 0.000 0.519 264 Y N -2.611 117.585 120.300 -0.173 0.000 2.458 264 Y HA 0.360 4.910 4.550 -0.000 0.000 0.256 264 Y C 1.444 177.216 175.900 -0.212 0.000 1.159 264 Y CA -0.132 57.838 58.100 -0.217 0.000 1.261 264 Y CB -0.662 37.620 38.460 -0.296 0.000 1.119 264 Y HN -0.055 nan 8.280 nan 0.000 0.524 265 L N -0.272 120.501 121.223 -0.750 0.000 2.095 265 L HA -0.018 4.322 4.340 -0.000 0.000 0.204 265 L C -0.033 176.689 176.870 -0.245 0.000 1.080 265 L CA 0.570 54.976 54.840 -0.724 0.000 0.759 265 L CB -0.274 41.187 42.059 -0.997 0.000 0.914 265 L HN 0.149 nan 8.230 nan 0.000 0.439 266 Y N -0.234 120.089 120.300 0.038 0.000 2.326 266 Y HA 0.110 4.659 4.550 -0.000 0.000 0.337 266 Y C 1.173 176.926 175.900 -0.245 0.000 1.023 266 Y CA -0.858 57.213 58.100 -0.048 0.000 1.143 266 Y CB 0.823 39.277 38.460 -0.010 0.000 1.183 266 Y HN -0.017 nan 8.280 nan 0.000 0.485 267 E N 2.090 121.994 120.200 -0.494 0.000 2.170 267 E HA 0.009 4.359 4.350 -0.000 0.000 0.191 267 E C -0.242 176.147 176.600 -0.352 0.000 0.981 267 E CA 0.642 56.554 56.400 -0.812 0.000 0.830 267 E CB 0.336 29.389 29.700 -1.079 0.000 0.775 267 E HN 0.496 nan 8.360 nan 0.000 0.470 268 K N 0.840 121.059 120.400 -0.302 0.000 2.464 268 K HA 0.174 4.494 4.320 -0.000 0.000 0.252 268 K C -1.400 174.828 176.600 -0.621 0.000 1.000 268 K CA -0.516 55.506 56.287 -0.441 0.000 0.951 268 K CB 1.030 33.237 32.500 -0.488 0.000 1.183 268 K HN 0.017 nan 8.250 nan 0.000 0.445 269 F N 3.837 123.419 119.950 -0.613 0.000 2.420 269 F HA 0.384 4.911 4.527 -0.000 0.000 0.352 269 F C -0.956 174.444 175.800 -0.667 0.000 1.108 269 F CA -0.514 57.158 58.000 -0.548 0.000 1.162 269 F CB 0.441 39.275 39.000 -0.277 0.000 1.118 269 F HN 0.333 nan 8.300 nan 0.000 0.510 270 F N 6.418 125.781 119.950 -0.978 0.000 2.449 270 F HA 0.340 4.867 4.527 -0.000 0.000 0.342 270 F C 0.465 175.462 175.800 -1.338 0.000 1.127 270 F CA -1.128 56.310 58.000 -0.937 0.000 0.975 270 F CB 0.800 39.458 39.000 -0.570 0.000 1.146 270 F HN 0.646 nan 8.300 nan 0.000 0.444 271 C N 2.791 121.523 119.300 -0.946 0.000 2.563 271 C HA 0.323 4.783 4.460 -0.000 0.000 0.358 271 C C -1.160 173.594 174.990 -0.394 0.000 1.336 271 C CA -1.335 57.232 59.018 -0.752 0.000 2.454 271 C CB 0.989 28.471 27.740 -0.429 0.000 2.448 271 C HN 0.656 nan 8.230 nan 0.000 0.670 272 P HA -0.125 nan 4.420 nan 0.000 0.217 272 P C 1.321 178.536 177.300 -0.142 0.000 1.151 272 P CA 1.786 64.786 63.100 -0.166 0.000 0.849 272 P CB -0.056 31.584 31.700 -0.100 0.000 0.787 273 K N -1.545 118.797 120.400 -0.096 0.000 2.283 273 K HA -0.030 4.290 4.320 -0.000 0.000 0.202 273 K C 1.672 178.218 176.600 -0.091 0.000 1.048 273 K CA 0.991 57.254 56.287 -0.039 0.000 0.948 273 K CB -0.926 31.599 32.500 0.041 0.000 0.742 273 K HN 0.217 nan 8.250 nan 0.000 0.458 274 C N -1.522 117.628 119.300 -0.250 0.000 2.935 274 C HA 0.218 4.678 4.460 -0.000 0.000 0.308 274 C C 2.265 176.730 174.990 -0.875 0.000 1.263 274 C CA -0.458 58.230 59.018 -0.551 0.000 1.738 274 C CB -0.209 27.337 27.740 -0.323 0.000 2.237 274 C HN 0.104 nan 8.230 nan 0.000 0.600 275 V N 2.751 122.333 119.914 -0.553 0.000 2.324 275 V HA -0.177 3.943 4.120 -0.000 0.000 0.250 275 V C -0.230 175.538 176.094 -0.543 0.000 1.060 275 V CA 2.422 64.394 62.300 -0.547 0.000 1.042 275 V CB -1.607 29.957 31.823 -0.431 0.000 0.650 275 V HN 0.342 nan 8.190 nan 0.000 0.450 276 P HA -0.179 nan 4.420 nan 0.000 0.218 276 P C 1.084 178.269 177.300 -0.192 0.000 1.146 276 P CA 1.924 64.883 63.100 -0.235 0.000 0.820 276 P CB -0.157 31.495 31.700 -0.079 0.000 0.778 277 H N -5.673 113.267 119.070 -0.218 0.000 3.241 277 H HA 0.309 4.865 4.556 -0.000 0.000 0.260 277 H C 1.311 176.470 175.328 -0.281 0.000 1.084 277 H CA 0.557 56.481 56.048 -0.207 0.000 1.203 277 H CB -0.231 29.432 29.762 -0.164 0.000 1.524 277 H HN -0.070 nan 8.280 nan 0.000 0.521 278 T N -0.105 114.090 114.554 -0.598 0.000 3.037 278 T HA 0.419 4.769 4.350 -0.000 0.000 0.252 278 T C 1.029 175.329 174.700 -0.667 0.000 1.073 278 T CA 1.065 62.730 62.100 -0.725 0.000 1.091 278 T CB -0.309 67.824 68.868 -1.225 0.000 0.935 278 T HN 0.853 nan 8.240 nan 0.000 0.488 279 G N 0.560 109.038 108.800 -0.538 0.000 2.582 279 G HA2 -0.092 3.867 3.960 -0.000 0.000 0.222 279 G HA3 -0.092 3.867 3.960 -0.000 0.000 0.222 279 G C -0.998 173.653 174.900 -0.416 0.000 1.311 279 G CA -0.654 44.210 45.100 -0.394 0.000 0.915 279 G HN 0.513 nan 8.290 nan 0.000 0.528 280 H N 0.445 119.468 119.070 -0.078 0.000 2.487 280 H HA 0.522 5.078 4.556 -0.000 0.000 0.333 280 H C 0.865 176.206 175.328 0.021 0.000 1.114 280 H CA 0.154 56.171 56.048 -0.052 0.000 1.310 280 H CB 1.234 30.959 29.762 -0.061 0.000 1.462 280 H HN 0.602 nan 8.280 nan 0.000 0.516 281 S N 2.167 117.842 115.700 -0.042 0.000 2.571 281 S HA -0.075 4.395 4.470 -0.000 0.000 0.298 281 S C 0.568 175.038 174.600 -0.218 0.000 1.280 281 S CA -0.097 57.889 58.200 -0.355 0.000 1.052 281 S CB -0.105 62.509 63.200 -0.977 0.000 0.799 281 S HN 0.287 nan 8.310 nan 0.000 0.501 282 I N 3.708 124.197 120.570 -0.136 0.000 2.315 282 I HA 0.244 4.413 4.170 -0.000 0.000 0.291 282 I C 0.926 177.113 176.117 0.116 0.000 1.006 282 I CA -0.146 61.172 61.300 0.030 0.000 1.265 282 I CB 0.748 38.757 38.000 0.014 0.000 1.387 282 I HN 0.567 nan 8.210 nan 0.000 0.475 283 R N 4.708 125.363 120.500 0.258 0.000 2.560 283 R HA 0.388 4.728 4.340 -0.000 0.000 0.270 283 R C -0.816 175.605 176.300 0.201 0.000 1.074 283 R CA -0.772 55.507 56.100 0.298 0.000 1.140 283 R CB 0.160 30.671 30.300 0.352 0.000 1.073 283 R HN 0.282 nan 8.270 nan 0.000 0.527 284 Y N 1.187 121.622 120.300 0.224 0.000 2.683 284 Y HA -0.068 4.482 4.550 -0.000 0.000 0.340 284 Y C 0.726 176.838 175.900 0.352 0.000 1.245 284 Y CA 0.481 58.718 58.100 0.228 0.000 1.485 284 Y CB 0.348 38.885 38.460 0.127 0.000 1.328 284 Y HN 0.322 nan 8.280 nan 0.000 0.603 285 K N 1.499 122.142 120.400 0.405 0.000 2.401 285 K HA 0.151 4.471 4.320 -0.000 0.000 0.278 285 K C -0.713 176.154 176.600 0.445 0.000 1.018 285 K CA -0.339 56.147 56.287 0.332 0.000 0.981 285 K CB 0.422 33.057 32.500 0.226 0.000 0.933 285 K HN 0.338 nan 8.250 nan 0.000 0.477 286 V N 5.103 125.239 119.914 0.371 0.000 2.324 286 V HA -0.063 4.057 4.120 -0.000 0.000 0.244 286 V C 1.228 177.484 176.094 0.269 0.000 1.144 286 V CA 0.162 62.699 62.300 0.395 0.000 1.158 286 V CB -0.131 31.777 31.823 0.143 0.000 1.254 286 V HN 0.676 nan 8.190 nan 0.000 0.492 287 V N 3.384 123.466 119.914 0.279 0.000 2.407 287 V HA 0.075 4.195 4.120 -0.000 0.000 0.245 287 V C 1.405 177.574 176.094 0.124 0.000 1.041 287 V CA 1.572 63.975 62.300 0.172 0.000 1.040 287 V CB -0.044 31.866 31.823 0.145 0.000 0.671 287 V HN 0.818 nan 8.190 nan 0.000 0.455 288 A N 0.022 122.889 122.820 0.079 0.000 2.709 288 A HA 0.627 4.946 4.320 -0.000 0.000 0.332 288 A C -1.924 175.622 177.584 -0.062 0.000 1.241 288 A CA -1.107 50.889 52.037 -0.069 0.000 0.782 288 A CB 0.689 19.488 19.000 -0.335 0.000 1.109 288 A HN 0.265 nan 8.150 nan 0.000 0.472 289 P HA -0.163 nan 4.420 nan 0.000 0.225 289 P C 0.889 178.184 177.300 -0.008 0.000 1.148 289 P CA 1.280 64.382 63.100 0.004 0.000 0.779 289 P CB -0.069 31.632 31.700 0.001 0.000 0.780 290 H N -2.451 116.604 119.070 -0.026 0.000 2.529 290 H HA 0.297 4.853 4.556 -0.000 0.000 0.277 290 H C 0.181 175.448 175.328 -0.102 0.000 1.004 290 H CA -0.103 55.920 56.048 -0.040 0.000 1.167 290 H CB 0.122 29.865 29.762 -0.032 0.000 1.445 290 H HN -0.056 nan 8.280 nan 0.000 0.554 291 R N 0.299 120.563 120.500 -0.393 0.000 2.750 291 R HA 0.183 4.523 4.340 -0.000 0.000 0.281 291 R C 0.297 176.507 176.300 -0.149 0.000 0.972 291 R CA -0.872 54.983 56.100 -0.407 0.000 0.912 291 R CB 0.721 30.724 30.300 -0.494 0.000 1.187 291 R HN 0.170 nan 8.270 nan 0.000 0.464 292 Y N 0.940 121.192 120.300 -0.080 0.000 2.207 292 Y HA -0.124 4.426 4.550 -0.000 0.000 0.287 292 Y C 1.058 176.891 175.900 -0.112 0.000 1.156 292 Y CA 0.780 58.870 58.100 -0.016 0.000 1.182 292 Y CB 0.151 38.579 38.460 -0.054 0.000 0.979 292 Y HN 0.101 nan 8.280 nan 0.000 0.521 293 R N 2.088 122.449 120.500 -0.232 0.000 3.657 293 R HA -0.009 4.331 4.340 -0.000 0.000 0.220 293 R C 0.379 176.146 176.300 -0.888 0.000 1.548 293 R CA -0.267 55.330 56.100 -0.838 0.000 1.465 293 R CB -0.517 29.298 30.300 -0.807 0.000 1.330 293 R HN 0.538 nan 8.270 nan 0.000 0.707 294 W N 1.205 122.273 121.300 -0.387 0.000 2.632 294 W HA -0.180 4.480 4.660 -0.000 0.000 0.248 294 W C 0.134 176.579 176.519 -0.124 0.000 1.259 294 W CA 0.252 57.480 57.345 -0.195 0.000 1.288 294 W CB -0.626 28.831 29.460 -0.004 0.000 1.136 294 W HN 0.453 nan 8.180 nan 0.000 0.640 295 Y N 0.698 120.738 120.300 -0.434 0.000 2.503 295 Y HA 0.367 4.917 4.550 -0.000 0.000 0.277 295 Y C 1.337 177.123 175.900 -0.190 0.000 1.102 295 Y CA -0.212 57.669 58.100 -0.365 0.000 1.261 295 Y CB -1.322 36.576 38.460 -0.937 0.000 1.096 295 Y HN -0.172 nan 8.280 nan 0.000 0.546 296 S N 3.103 118.575 115.700 -0.380 0.000 2.455 296 S HA 0.223 4.693 4.470 -0.000 0.000 0.278 296 S C -1.783 172.776 174.600 -0.068 0.000 1.216 296 S CA -1.358 56.759 58.200 -0.138 0.000 1.055 296 S CB 0.766 63.825 63.200 -0.235 0.000 0.939 296 S HN 0.096 nan 8.310 nan 0.000 0.494 297 P HA 0.053 nan 4.420 nan 0.000 0.225 297 P C 0.330 177.671 177.300 0.068 0.000 1.156 297 P CA 0.642 63.777 63.100 0.059 0.000 0.787 297 P CB -0.006 31.745 31.700 0.085 0.000 0.802 298 N N -0.267 118.464 118.700 0.052 0.000 2.571 298 N HA -0.072 4.668 4.740 -0.000 0.000 0.189 298 N C 1.006 176.568 175.510 0.087 0.000 1.154 298 N CA 0.704 53.806 53.050 0.087 0.000 0.907 298 N CB -0.402 38.121 38.487 0.060 0.000 0.977 298 N HN 0.342 nan 8.380 nan 0.000 0.449 299 E N -0.481 119.709 120.200 -0.017 0.000 2.526 299 E HA 0.062 4.411 4.350 -0.000 0.000 0.208 299 E C 0.993 177.526 176.600 -0.111 0.000 0.997 299 E CA -0.122 56.192 56.400 -0.143 0.000 0.961 299 E CB 0.365 29.934 29.700 -0.218 0.000 1.030 299 E HN 0.262 nan 8.360 nan 0.000 0.483 300 K N 1.629 122.056 120.400 0.045 0.000 2.211 300 K HA -0.189 4.130 4.320 -0.000 0.000 0.204 300 K C 1.973 178.728 176.600 0.260 0.000 1.047 300 K CA 1.557 57.933 56.287 0.147 0.000 0.935 300 K CB 0.003 32.596 32.500 0.155 0.000 0.728 300 K HN 0.324 nan 8.250 nan 0.000 0.452 301 H N -0.915 118.227 119.070 0.121 0.000 2.595 301 H HA 0.152 4.708 4.556 -0.000 0.000 0.265 301 H C 0.753 176.138 175.328 0.095 0.000 0.953 301 H CA -0.378 55.721 56.048 0.086 0.000 1.197 301 H CB -0.246 29.540 29.762 0.041 0.000 1.438 301 H HN 0.044 nan 8.280 nan 0.000 0.531 302 L N 1.455 122.436 121.223 -0.404 0.000 2.468 302 L HA 0.228 4.568 4.340 -0.000 0.000 0.253 302 L C 1.257 178.126 176.870 -0.000 0.000 1.237 302 L CA 0.090 54.767 54.840 -0.272 0.000 0.823 302 L CB 0.281 42.154 42.059 -0.310 0.000 1.124 302 L HN 0.226 nan 8.230 nan 0.000 0.504 303 G N 0.196 108.983 108.800 -0.022 0.000 2.569 303 G HA2 0.351 4.311 3.960 -0.000 0.000 0.249 303 G HA3 0.351 4.311 3.960 -0.000 0.000 0.249 303 G C -0.203 174.756 174.900 0.100 0.000 1.216 303 G CA -0.712 44.398 45.100 0.017 0.000 0.845 303 G HN 0.448 nan 8.290 nan 0.000 0.568 304 I N 1.268 121.893 120.570 0.092 0.000 2.581 304 I HA 0.012 4.182 4.170 -0.000 0.000 0.285 304 I C 0.667 176.834 176.117 0.085 0.000 1.129 304 I CA 0.459 61.849 61.300 0.151 0.000 1.397 304 I CB 0.305 38.392 38.000 0.144 0.000 1.399 304 I HN 0.458 nan 8.210 nan 0.000 0.537 305 E N 4.769 124.926 120.200 -0.073 0.000 2.301 305 E HA 0.118 4.468 4.350 -0.000 0.000 0.275 305 E C 0.887 177.307 176.600 -0.301 0.000 1.030 305 E CA -0.532 55.689 56.400 -0.299 0.000 0.852 305 E CB 2.007 31.172 29.700 -0.893 0.000 1.060 305 E HN 0.414 nan 8.360 nan 0.000 0.401 306 V N 2.724 122.382 119.914 -0.426 0.000 2.546 306 V HA -0.218 3.902 4.120 -0.000 0.000 0.254 306 V C 1.737 177.202 176.094 -1.049 0.000 1.076 306 V CA 2.397 64.010 62.300 -1.144 0.000 1.087 306 V CB -0.440 31.032 31.823 -0.584 0.000 0.674 306 V HN 0.926 nan 8.190 nan 0.000 0.470 307 G N -0.423 108.314 108.800 -0.105 0.000 2.744 307 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.211 307 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.211 307 G C 0.864 175.927 174.900 0.271 0.000 1.146 307 G CA 0.640 45.808 45.100 0.114 0.000 0.787 307 G HN 0.620 nan 8.290 nan 0.000 0.534 308 S N -0.107 115.756 115.700 0.273 0.000 2.580 308 S HA 0.105 4.574 4.470 -0.000 0.000 0.261 308 S C 1.419 176.111 174.600 0.154 0.000 1.366 308 S CA 0.376 58.711 58.200 0.225 0.000 0.996 308 S CB 1.456 64.711 63.200 0.093 0.000 0.902 308 S HN 0.276 nan 8.310 nan 0.000 0.566 309 K N 0.396 120.673 120.400 -0.205 0.000 2.026 309 K HA -0.131 4.188 4.320 -0.000 0.000 0.208 309 K C 2.047 178.590 176.600 -0.095 0.000 1.048 309 K CA 1.867 57.886 56.287 -0.445 0.000 0.929 309 K CB -1.012 30.858 32.500 -1.051 0.000 0.713 309 K HN 0.779 nan 8.250 nan 0.000 0.439 310 T N 0.213 114.746 114.554 -0.036 0.000 2.684 310 T HA -0.210 4.139 4.350 -0.000 0.000 0.267 310 T C 1.208 175.949 174.700 0.068 0.000 1.036 310 T CA 1.699 63.814 62.100 0.025 0.000 1.148 310 T CB -0.488 68.427 68.868 0.080 0.000 0.863 310 T HN 0.542 nan 8.240 nan 0.000 0.436 311 W N 1.364 122.635 121.300 -0.048 0.000 2.338 311 W HA -0.059 4.601 4.660 -0.000 0.000 0.304 311 W C 1.843 178.317 176.519 -0.075 0.000 1.212 311 W CA 0.915 58.219 57.345 -0.067 0.000 1.264 311 W CB -0.333 29.076 29.460 -0.085 0.000 1.142 311 W HN 0.198 nan 8.180 nan 0.000 0.512 312 I N 0.140 120.897 120.570 0.311 0.000 2.286 312 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 312 I C 2.195 178.352 176.117 0.066 0.000 1.104 312 I CA 1.552 62.993 61.300 0.236 0.000 1.397 312 I CB -0.603 37.594 38.000 0.329 0.000 1.072 312 I HN -0.024 nan 8.210 nan 0.000 0.417 313 E N 0.492 120.709 120.200 0.029 0.000 2.153 313 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 313 E C 1.588 178.134 176.600 -0.088 0.000 0.988 313 E CA 1.442 57.833 56.400 -0.015 0.000 0.811 313 E CB -0.036 29.652 29.700 -0.020 0.000 0.746 313 E HN 0.402 nan 8.360 nan 0.000 0.466 314 D N 0.015 120.325 120.400 -0.150 0.000 2.097 314 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 314 D C 1.613 177.726 176.300 -0.311 0.000 0.984 314 D CA 0.758 54.621 54.000 -0.227 0.000 0.826 314 D CB -0.171 40.464 40.800 -0.275 0.000 0.973 314 D HN 0.103 nan 8.370 nan 0.000 0.460 315 F N 0.771 120.340 119.950 -0.635 0.000 2.161 315 F HA -0.126 4.401 4.527 -0.000 0.000 0.300 315 F C 1.982 177.538 175.800 -0.407 0.000 1.089 315 F CA 1.191 58.732 58.000 -0.765 0.000 1.282 315 F CB -0.073 38.198 39.000 -1.214 0.000 1.010 315 F HN 0.007 nan 8.300 nan 0.000 0.485 316 I N 0.070 120.499 120.570 -0.235 0.000 2.567 316 I HA -0.279 3.891 4.170 -0.000 0.000 0.257 316 I C 2.225 178.202 176.117 -0.233 0.000 1.184 316 I CA 1.686 62.874 61.300 -0.187 0.000 1.451 316 I CB -0.785 37.191 38.000 -0.040 0.000 1.089 316 I HN 0.317 nan 8.210 nan 0.000 0.441 317 T N -1.600 112.807 114.554 -0.246 0.000 3.100 317 T HA 0.001 4.350 4.350 -0.000 0.000 0.253 317 T C 1.626 176.186 174.700 -0.234 0.000 1.118 317 T CA 0.236 62.218 62.100 -0.197 0.000 1.058 317 T CB -0.055 68.720 68.868 -0.154 0.000 0.953 317 T HN 0.540 nan 8.240 nan 0.000 0.515 318 R N 0.624 120.906 120.500 -0.364 0.000 2.513 318 R HA 0.250 4.590 4.340 -0.000 0.000 0.245 318 R C 1.813 177.848 176.300 -0.442 0.000 0.908 318 R CA 0.604 56.497 56.100 -0.346 0.000 1.023 318 R CB -0.225 29.881 30.300 -0.323 0.000 1.338 318 R HN 0.411 nan 8.270 nan 0.000 0.575 319 E N 2.667 122.421 120.200 -0.743 0.000 2.147 319 E HA -0.282 4.068 4.350 -0.000 0.000 0.199 319 E C 1.059 177.538 176.600 -0.203 0.000 1.005 319 E CA 2.120 58.038 56.400 -0.804 0.000 0.810 319 E CB -0.654 28.471 29.700 -0.960 0.000 0.736 319 E HN 0.620 nan 8.360 nan 0.000 0.460 320 N N 0.634 119.251 118.700 -0.138 0.000 2.609 320 N HA -0.108 4.632 4.740 -0.000 0.000 0.190 320 N C 1.052 176.563 175.510 0.000 0.000 1.157 320 N CA 1.428 54.465 53.050 -0.023 0.000 0.918 320 N CB -0.749 37.719 38.487 -0.031 0.000 0.978 320 N HN 0.473 nan 8.380 nan 0.000 0.448 321 T N -3.503 111.036 114.554 -0.025 0.000 3.107 321 T HA 0.209 4.558 4.350 -0.000 0.000 0.249 321 T C 0.448 175.191 174.700 0.072 0.000 1.096 321 T CA -0.484 61.622 62.100 0.009 0.000 1.012 321 T CB -0.435 68.421 68.868 -0.021 0.000 0.977 321 T HN -0.078 nan 8.240 nan 0.000 0.527 322 V N 3.819 123.811 119.914 0.130 0.000 2.555 322 V HA 0.283 4.403 4.120 -0.000 0.000 0.286 322 V C -2.014 174.197 176.094 0.195 0.000 1.044 322 V CA -1.893 60.549 62.300 0.237 0.000 1.026 322 V CB 0.663 32.749 31.823 0.438 0.000 0.981 322 V HN 0.302 nan 8.190 nan 0.000 0.480 323 P HA 0.130 nan 4.420 nan 0.000 0.269 323 P C -0.076 177.305 177.300 0.134 0.000 1.209 323 P CA 0.084 63.261 63.100 0.130 0.000 0.776 323 P CB 0.415 32.185 31.700 0.117 0.000 0.876 324 S N 2.633 118.392 115.700 0.099 0.000 2.593 324 S HA 0.306 4.776 4.470 -0.000 0.000 0.269 324 S C -2.048 172.608 174.600 0.092 0.000 1.334 324 S CA -0.633 57.620 58.200 0.087 0.000 1.015 324 S CB -0.463 62.774 63.200 0.060 0.000 0.912 324 S HN 0.381 nan 8.310 nan 0.000 0.541 325 P HA 0.266 nan 4.420 nan 0.000 0.279 325 P C -0.380 176.963 177.300 0.072 0.000 1.252 325 P CA -0.595 62.562 63.100 0.096 0.000 0.811 325 P CB 0.299 32.050 31.700 0.086 0.000 1.035 326 T N -2.506 112.096 114.554 0.080 0.000 2.868 326 T HA 0.140 4.490 4.350 -0.000 0.000 0.292 326 T C 0.746 175.474 174.700 0.047 0.000 1.028 326 T CA -0.374 61.762 62.100 0.060 0.000 1.059 326 T CB 0.196 69.102 68.868 0.063 0.000 0.991 326 T HN 0.225 nan 8.240 nan 0.000 0.531 327 D N 0.419 120.838 120.400 0.032 0.000 2.378 327 D HA -0.044 4.596 4.640 -0.000 0.000 0.222 327 D C 0.959 177.265 176.300 0.011 0.000 0.980 327 D CA 0.699 54.707 54.000 0.013 0.000 0.907 327 D CB -0.004 40.804 40.800 0.015 0.000 0.899 327 D HN 0.566 nan 8.370 nan 0.000 0.527 328 D N 0.159 120.583 120.400 0.041 0.000 2.333 328 D HA -0.018 4.622 4.640 -0.000 0.000 0.208 328 D C 1.711 178.076 176.300 0.108 0.000 0.984 328 D CA 0.427 54.463 54.000 0.061 0.000 0.873 328 D CB 0.256 41.097 40.800 0.067 0.000 0.935 328 D HN 0.356 nan 8.370 nan 0.000 0.521 329 E N -0.333 119.941 120.200 0.124 0.000 2.127 329 E HA 0.073 4.423 4.350 -0.000 0.000 0.191 329 E C 0.510 177.099 176.600 -0.019 0.000 0.964 329 E CA 0.200 56.742 56.400 0.238 0.000 0.832 329 E CB 1.238 31.132 29.700 0.323 0.000 0.790 329 E HN -0.019 nan 8.360 nan 0.000 0.465 330 V N 0.033 119.897 119.914 -0.083 0.000 2.760 330 V HA 0.420 4.540 4.120 -0.000 0.000 0.309 330 V C -1.543 174.436 176.094 -0.191 0.000 1.077 330 V CA -1.104 61.075 62.300 -0.202 0.000 0.910 330 V CB 1.765 33.477 31.823 -0.185 0.000 1.008 330 V HN 0.240 nan 8.190 nan 0.000 0.424 331 C N 7.782 126.883 119.300 -0.331 0.000 2.303 331 C HA 0.711 5.171 4.460 -0.000 0.000 0.326 331 C C -0.153 174.814 174.990 -0.039 0.000 1.285 331 C CA -0.617 58.271 59.018 -0.216 0.000 1.675 331 C CB -0.682 26.821 27.740 -0.396 0.000 2.289 331 C HN 0.836 nan 8.230 nan 0.000 0.512 332 I N 7.496 128.082 120.570 0.026 0.000 2.354 332 I HA 0.518 4.688 4.170 -0.000 0.000 0.292 332 I C 0.123 176.304 176.117 0.106 0.000 0.989 332 I CA -0.302 61.036 61.300 0.063 0.000 1.188 332 I CB 1.345 39.364 38.000 0.032 0.000 1.342 332 I HN 0.606 nan 8.210 nan 0.000 0.457 333 V N 2.424 122.419 119.914 0.135 0.000 3.074 333 V HA 0.517 4.637 4.120 -0.000 0.000 0.314 333 V C 0.583 176.733 176.094 0.094 0.000 1.117 333 V CA -0.651 61.728 62.300 0.133 0.000 1.014 333 V CB 2.200 34.139 31.823 0.192 0.000 1.057 333 V HN 0.628 nan 8.190 nan 0.000 0.438 334 E N 1.650 121.901 120.200 0.086 0.000 2.112 334 E HA 0.058 4.408 4.350 -0.000 0.000 0.190 334 E C 0.067 176.710 176.600 0.072 0.000 0.979 334 E CA 1.607 58.050 56.400 0.071 0.000 0.814 334 E CB 0.060 29.800 29.700 0.067 0.000 0.762 334 E HN 1.065 nan 8.360 nan 0.000 0.460 335 D N -3.030 117.422 120.400 0.086 0.000 2.692 335 D HA 0.172 4.812 4.640 -0.000 0.000 0.303 335 D C 1.040 177.364 176.300 0.040 0.000 1.278 335 D CA -0.204 53.835 54.000 0.064 0.000 0.852 335 D CB -0.023 40.840 40.800 0.106 0.000 1.375 335 D HN -0.126 nan 8.370 nan 0.000 0.453 336 G N -1.023 107.733 108.800 -0.073 0.000 2.479 336 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 336 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 336 G C 0.676 175.488 174.900 -0.146 0.000 1.115 336 G CA 0.874 45.890 45.100 -0.141 0.000 0.757 336 G HN 0.426 nan 8.290 nan 0.000 0.560 337 Y N 0.601 120.904 120.300 0.005 0.000 2.286 337 Y HA 0.079 4.629 4.550 -0.000 0.000 0.293 337 Y C 2.773 178.656 175.900 -0.028 0.000 1.124 337 Y CA 1.181 59.267 58.100 -0.023 0.000 1.178 337 Y CB -0.030 38.419 38.460 -0.019 0.000 1.010 337 Y HN 0.295 nan 8.280 nan 0.000 0.536 338 E N -0.858 119.438 120.200 0.160 0.000 2.216 338 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 338 E C 1.763 178.407 176.600 0.073 0.000 0.988 338 E CA 0.794 57.256 56.400 0.104 0.000 0.834 338 E CB -0.331 29.439 29.700 0.116 0.000 0.772 338 E HN 0.411 nan 8.360 nan 0.000 0.479 339 F N 2.397 122.290 119.950 -0.095 0.000 2.051 339 F HA -0.148 4.379 4.527 -0.000 0.000 0.296 339 F C 2.344 177.947 175.800 -0.330 0.000 1.122 339 F CA 1.558 59.410 58.000 -0.247 0.000 1.201 339 F CB -0.209 38.562 39.000 -0.383 0.000 0.978 339 F HN -0.245 nan 8.300 nan 0.000 0.472 340 R N 0.378 120.506 120.500 -0.620 0.000 2.127 340 R HA -0.203 4.137 4.340 -0.000 0.000 0.238 340 R C 2.598 178.659 176.300 -0.398 0.000 1.134 340 R CA 1.614 57.307 56.100 -0.678 0.000 0.975 340 R CB -0.385 29.710 30.300 -0.341 0.000 0.865 340 R HN 0.356 nan 8.270 nan 0.000 0.447 341 R N 0.138 120.505 120.500 -0.221 0.000 2.062 341 R HA -0.091 4.248 4.340 -0.000 0.000 0.229 341 R C 1.876 178.108 176.300 -0.114 0.000 1.128 341 R CA 1.260 57.290 56.100 -0.118 0.000 0.960 341 R CB 0.006 30.284 30.300 -0.037 0.000 0.855 341 R HN 0.152 nan 8.270 nan 0.000 0.432 342 E N -0.108 120.036 120.200 -0.094 0.000 2.107 342 E HA -0.166 4.183 4.350 -0.000 0.000 0.191 342 E C 1.666 178.244 176.600 -0.037 0.000 0.982 342 E CA 0.770 57.180 56.400 0.017 0.000 0.809 342 E CB -0.211 29.611 29.700 0.203 0.000 0.756 342 E HN 0.301 nan 8.360 nan 0.000 0.459 343 F N 2.093 121.695 119.950 -0.580 0.000 2.026 343 F HA -0.271 4.256 4.527 -0.000 0.000 0.296 343 F C 2.390 177.944 175.800 -0.410 0.000 1.133 343 F CA 1.661 59.185 58.000 -0.794 0.000 1.188 343 F CB 0.154 38.170 39.000 -1.640 0.000 0.968 343 F HN -0.044 nan 8.300 nan 0.000 0.476 344 E N 0.574 120.574 120.200 -0.333 0.000 2.097 344 E HA -0.264 4.086 4.350 -0.000 0.000 0.196 344 E C 2.024 178.515 176.600 -0.182 0.000 1.000 344 E CA 1.424 57.670 56.400 -0.256 0.000 0.804 344 E CB -0.327 29.276 29.700 -0.162 0.000 0.740 344 E HN 0.300 nan 8.360 nan 0.000 0.454 345 K N -0.374 119.951 120.400 -0.125 0.000 2.147 345 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 345 K C 1.729 178.300 176.600 -0.048 0.000 1.049 345 K CA 0.821 57.071 56.287 -0.062 0.000 0.936 345 K CB -0.045 32.442 32.500 -0.023 0.000 0.722 345 K HN 0.116 nan 8.250 nan 0.000 0.446 346 L N -1.665 119.522 121.223 -0.060 0.000 2.509 346 L HA 0.130 4.470 4.340 -0.000 0.000 0.222 346 L C 1.070 177.898 176.870 -0.069 0.000 1.123 346 L CA 0.545 55.374 54.840 -0.018 0.000 0.856 346 L CB 0.545 42.653 42.059 0.082 0.000 0.985 346 L HN 0.515 nan 8.230 nan 0.000 0.456 347 G N -1.380 107.324 108.800 -0.159 0.000 2.273 347 G HA2 0.055 4.015 3.960 -0.000 0.000 0.162 347 G HA3 0.055 4.015 3.960 -0.000 0.000 0.162 347 G C 0.594 175.349 174.900 -0.242 0.000 1.006 347 G CA -0.322 44.693 45.100 -0.142 0.000 0.704 347 G HN 0.641 nan 8.290 nan 0.000 0.487 348 G N -0.336 108.144 108.800 -0.534 0.000 2.698 348 G HA2 0.250 4.209 3.960 -0.000 0.000 0.233 348 G HA3 0.250 4.209 3.960 -0.000 0.000 0.233 348 G C 1.264 175.745 174.900 -0.698 0.000 1.352 348 G CA 1.383 46.025 45.100 -0.764 0.000 0.879 348 G HN 1.821 nan 8.290 nan 0.000 0.567 349 A N -1.432 121.281 122.820 -0.177 0.000 2.015 349 A HA 0.109 4.428 4.320 -0.000 0.000 0.219 349 A C 1.901 179.725 177.584 0.399 0.000 1.163 349 A CA 2.412 54.665 52.037 0.361 0.000 0.646 349 A CB -0.344 18.988 19.000 0.552 0.000 0.806 349 A HN 0.654 nan 8.150 nan 0.000 0.448 350 D N -0.334 120.189 120.400 0.205 0.000 2.348 350 D HA -0.039 4.601 4.640 -0.000 0.000 0.216 350 D C 0.493 176.885 176.300 0.154 0.000 0.970 350 D CA 0.929 55.038 54.000 0.182 0.000 0.889 350 D CB -0.244 40.624 40.800 0.113 0.000 0.912 350 D HN 0.623 nan 8.370 nan 0.000 0.524 351 N N -0.923 117.859 118.700 0.136 0.000 2.241 351 N HA 0.036 4.775 4.740 -0.000 0.000 0.238 351 N C -0.612 175.050 175.510 0.254 0.000 1.244 351 N CA -0.525 52.605 53.050 0.133 0.000 0.880 351 N CB 0.552 39.069 38.487 0.049 0.000 1.179 351 N HN 0.047 nan 8.380 nan 0.000 0.513 352 W N 1.546 122.929 121.300 0.139 0.000 2.446 352 W HA 0.421 5.081 4.660 -0.000 0.000 0.316 352 W C 0.728 177.448 176.519 0.335 0.000 1.376 352 W CA -0.553 56.962 57.345 0.283 0.000 1.300 352 W CB 0.224 29.987 29.460 0.504 0.000 1.351 352 W HN 0.129 nan 8.180 nan 0.000 0.530 353 G N 5.016 114.133 108.800 0.528 0.000 2.799 353 G HA2 0.052 4.012 3.960 -0.000 0.000 0.201 353 G HA3 0.052 4.012 3.960 -0.000 0.000 0.201 353 G C -0.055 175.108 174.900 0.438 0.000 1.142 353 G CA -0.397 44.894 45.100 0.317 0.000 0.910 353 G HN 0.352 nan 8.290 nan 0.000 0.710 354 K N 0.068 120.767 120.400 0.498 0.000 2.238 354 K HA 0.749 5.069 4.320 -0.000 0.000 0.239 354 K C -0.655 176.068 176.600 0.205 0.000 0.987 354 K CA -0.835 55.633 56.287 0.302 0.000 0.857 354 K CB 2.697 35.254 32.500 0.095 0.000 1.154 354 K HN 0.082 nan 8.250 nan 0.000 0.439 355 V N 2.177 121.924 119.914 -0.278 0.000 2.546 355 V HA 0.467 4.587 4.120 -0.000 0.000 0.284 355 V C -1.406 174.580 176.094 -0.180 0.000 1.050 355 V CA -0.372 61.788 62.300 -0.233 0.000 0.981 355 V CB -0.066 31.341 31.823 -0.694 0.000 0.990 355 V HN 0.686 nan 8.190 nan 0.000 0.474 356 F N 6.603 126.609 119.950 0.093 0.000 2.469 356 F HA 0.619 5.145 4.527 -0.000 0.000 0.332 356 F C 0.210 175.968 175.800 -0.071 0.000 1.103 356 F CA -0.669 57.361 58.000 0.049 0.000 0.979 356 F CB 2.029 41.094 39.000 0.108 0.000 1.137 356 F HN 0.416 nan 8.300 nan 0.000 0.463 357 M N 4.295 123.944 119.600 0.082 0.000 2.294 357 M HA 0.545 5.025 4.480 -0.000 0.000 0.335 357 M C -1.738 174.585 176.300 0.039 0.000 1.079 357 M CA -0.710 54.596 55.300 0.011 0.000 0.982 357 M CB 1.666 34.247 32.600 -0.032 0.000 1.651 357 M HN 0.339 nan 8.290 nan 0.000 0.437 358 V N 6.672 126.584 119.914 -0.004 0.000 2.326 358 V HA 0.292 4.412 4.120 -0.000 0.000 0.281 358 V C 0.899 177.005 176.094 0.021 0.000 1.015 358 V CA -0.541 61.757 62.300 -0.003 0.000 0.823 358 V CB 1.262 33.026 31.823 -0.098 0.000 1.009 358 V HN 0.900 nan 8.190 nan 0.000 0.436 359 K N 1.742 122.163 120.400 0.035 0.000 2.147 359 K HA -0.082 4.237 4.320 -0.000 0.000 0.205 359 K C 0.383 177.011 176.600 0.047 0.000 1.049 359 K CA 1.345 57.656 56.287 0.039 0.000 0.936 359 K CB 0.176 32.701 32.500 0.040 0.000 0.722 359 K HN 0.727 nan 8.250 nan 0.000 0.446 360 D N -0.666 119.761 120.400 0.044 0.000 2.863 360 D HA 0.100 4.740 4.640 -0.000 0.000 0.245 360 D C 0.448 176.760 176.300 0.019 0.000 1.211 360 D CA -0.496 53.532 54.000 0.047 0.000 0.888 360 D CB 1.279 42.108 40.800 0.047 0.000 1.483 360 D HN -0.009 nan 8.370 nan 0.000 0.533 361 M N 0.565 120.174 119.600 0.016 0.000 2.659 361 M HA 0.218 4.697 4.480 -0.000 0.000 0.243 361 M C 0.241 176.476 176.300 -0.108 0.000 1.111 361 M CA 0.128 55.392 55.300 -0.060 0.000 1.070 361 M CB -0.189 32.341 32.600 -0.116 0.000 1.525 361 M HN 0.115 nan 8.290 nan 0.000 0.517 362 D N 1.545 121.905 120.400 -0.066 0.000 2.434 362 D HA 0.347 4.987 4.640 -0.000 0.000 0.252 362 D C 1.180 177.332 176.300 -0.247 0.000 1.185 362 D CA 1.980 55.931 54.000 -0.082 0.000 0.886 362 D CB 0.578 41.399 40.800 0.035 0.000 1.148 362 D HN 0.551 nan 8.370 nan 0.000 0.483 363 G N 2.953 111.482 108.800 -0.452 0.000 2.339 363 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.209 363 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.209 363 G C 1.254 175.874 174.900 -0.466 0.000 1.015 363 G CA 0.154 44.718 45.100 -0.894 0.000 0.635 363 G HN 0.506 nan 8.290 nan 0.000 0.499 364 L N 0.558 121.606 121.223 -0.291 0.000 2.265 364 L HA 0.044 4.384 4.340 -0.000 0.000 0.215 364 L C 1.516 178.278 176.870 -0.180 0.000 1.117 364 L CA 1.157 55.878 54.840 -0.198 0.000 0.782 364 L CB -0.368 41.570 42.059 -0.201 0.000 0.914 364 L HN 0.496 nan 8.230 nan 0.000 0.441 365 N N 0.581 119.158 118.700 -0.205 0.000 2.738 365 N HA -0.225 4.515 4.740 -0.000 0.000 0.249 365 N C -0.313 175.079 175.510 -0.198 0.000 1.047 365 N CA 0.760 53.705 53.050 -0.175 0.000 0.707 365 N CB -0.812 37.591 38.487 -0.141 0.000 0.937 365 N HN 0.337 nan 8.380 nan 0.000 0.545 366 M N 0.815 120.278 119.600 -0.229 0.000 2.134 366 M HA 0.243 4.723 4.480 -0.000 0.000 0.310 366 M C -0.546 175.588 176.300 -0.275 0.000 0.966 366 M CA -0.460 54.671 55.300 -0.282 0.000 0.922 366 M CB 1.040 33.447 32.600 -0.322 0.000 1.537 366 M HN 0.054 nan 8.290 nan 0.000 0.424 367 T N 6.665 121.064 114.554 -0.258 0.000 2.737 367 T HA 0.418 4.767 4.350 -0.000 0.000 0.296 367 T C -0.146 174.371 174.700 -0.306 0.000 0.922 367 T CA -0.134 61.819 62.100 -0.245 0.000 1.079 367 T CB 0.132 68.880 68.868 -0.200 0.000 0.892 367 T HN 0.571 nan 8.240 nan 0.000 0.514 368 M N 3.450 122.850 119.600 -0.332 0.000 2.691 368 M HA 0.496 4.976 4.480 -0.000 0.000 0.293 368 M C -2.509 173.547 176.300 -0.407 0.000 1.259 368 M CA -2.830 52.218 55.300 -0.420 0.000 0.827 368 M CB 1.324 33.684 32.600 -0.400 0.000 1.753 368 M HN 0.198 nan 8.290 nan 0.000 0.465 369 P HA 0.226 nan 4.420 nan 0.000 0.274 369 P C -1.183 175.977 177.300 -0.234 0.000 1.237 369 P CA -0.470 62.317 63.100 -0.521 0.000 0.793 369 P CB 0.023 31.017 31.700 -1.177 0.000 0.977 370 K N 1.586 121.922 120.400 -0.106 0.000 2.448 370 K HA 0.242 4.562 4.320 -0.000 0.000 0.278 370 K C -2.463 174.179 176.600 0.069 0.000 1.009 370 K CA -1.508 54.775 56.287 -0.008 0.000 0.995 370 K CB -1.670 30.840 32.500 0.018 0.000 0.917 370 K HN 0.265 nan 8.250 nan 0.000 0.481 371 P HA 0.071 nan 4.420 nan 0.000 0.267 371 P C 0.857 178.233 177.300 0.125 0.000 1.200 371 P CA 0.762 63.930 63.100 0.114 0.000 0.772 371 P CB 0.683 32.435 31.700 0.087 0.000 0.855 372 G N 1.558 110.445 108.800 0.145 0.000 2.308 372 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.221 372 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.221 372 G C 0.166 175.153 174.900 0.145 0.000 1.032 372 G CA -0.240 44.931 45.100 0.119 0.000 0.623 372 G HN 0.589 nan 8.290 nan 0.000 0.506 373 F N 3.793 123.764 119.950 0.034 0.000 2.629 373 F HA 0.403 4.930 4.527 -0.000 0.000 0.377 373 F C 0.657 176.492 175.800 0.058 0.000 1.101 373 F CA 1.011 59.032 58.000 0.036 0.000 1.301 373 F CB 0.527 39.543 39.000 0.026 0.000 1.062 373 F HN 0.568 nan 8.300 nan 0.000 0.583 374 D N 3.998 124.151 120.400 -0.411 0.000 3.057 374 D HA 0.078 4.718 4.640 -0.000 0.000 0.328 374 D C 0.346 176.435 176.300 -0.352 0.000 1.317 374 D CA -0.588 53.295 54.000 -0.196 0.000 0.973 374 D CB 0.012 40.780 40.800 -0.053 0.000 1.424 374 D HN 0.442 nan 8.370 nan 0.000 0.569 375 L N 0.469 121.576 121.223 -0.194 0.000 2.043 375 L HA -0.140 4.199 4.340 -0.000 0.000 0.212 375 L C 1.973 178.739 176.870 -0.174 0.000 1.075 375 L CA 2.092 56.825 54.840 -0.178 0.000 0.752 375 L CB -0.932 40.991 42.059 -0.228 0.000 0.891 375 L HN 0.403 nan 8.230 nan 0.000 0.432 376 E N -0.147 119.956 120.200 -0.163 0.000 2.070 376 E HA -0.256 4.094 4.350 -0.000 0.000 0.197 376 E C 1.874 178.357 176.600 -0.196 0.000 1.004 376 E CA 1.736 58.055 56.400 -0.135 0.000 0.805 376 E CB -0.655 28.982 29.700 -0.105 0.000 0.744 376 E HN 0.639 nan 8.360 nan 0.000 0.451 377 D N 0.670 120.855 120.400 -0.358 0.000 2.144 377 D HA -0.092 4.548 4.640 -0.000 0.000 0.200 377 D C 2.202 178.315 176.300 -0.312 0.000 0.978 377 D CA 0.665 54.403 54.000 -0.437 0.000 0.833 377 D CB -0.171 40.065 40.800 -0.940 0.000 0.961 377 D HN 0.034 nan 8.370 nan 0.000 0.470 378 V N 1.369 121.103 119.914 -0.300 0.000 2.343 378 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 378 V C 2.605 178.630 176.094 -0.115 0.000 1.051 378 V CA 1.442 63.678 62.300 -0.105 0.000 1.036 378 V CB -0.378 31.421 31.823 -0.041 0.000 0.654 378 V HN 0.123 nan 8.190 nan 0.000 0.451 379 V N -0.562 119.288 119.914 -0.106 0.000 2.719 379 V HA -0.148 3.972 4.120 -0.000 0.000 0.252 379 V C 2.327 178.382 176.094 -0.066 0.000 1.065 379 V CA 1.763 64.016 62.300 -0.078 0.000 1.086 379 V CB -0.410 31.393 31.823 -0.032 0.000 0.700 379 V HN 0.551 nan 8.190 nan 0.000 0.467 380 K N 0.367 120.724 120.400 -0.072 0.000 2.026 380 K HA -0.068 4.252 4.320 -0.000 0.000 0.208 380 K C 2.012 178.583 176.600 -0.049 0.000 1.048 380 K CA 2.255 58.510 56.287 -0.053 0.000 0.929 380 K CB -0.357 32.109 32.500 -0.058 0.000 0.713 380 K HN 0.518 nan 8.250 nan 0.000 0.439 381 I N 0.575 121.109 120.570 -0.060 0.000 2.163 381 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 381 I C 2.293 178.358 176.117 -0.086 0.000 1.081 381 I CA 0.990 62.257 61.300 -0.056 0.000 1.353 381 I CB -0.240 37.733 38.000 -0.045 0.000 1.054 381 I HN 0.153 nan 8.210 nan 0.000 0.407 382 M N 0.451 119.961 119.600 -0.149 0.000 2.288 382 M HA 0.190 4.669 4.480 -0.000 0.000 0.266 382 M C 1.047 177.280 176.300 -0.111 0.000 1.072 382 M CA 0.797 55.945 55.300 -0.254 0.000 1.132 382 M CB -1.227 31.046 32.600 -0.545 0.000 1.386 382 M HN 0.370 nan 8.290 nan 0.000 0.432 383 G N -0.167 108.602 108.800 -0.053 0.000 2.784 383 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.686 383 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.686 383 G C 0.364 175.290 174.900 0.042 0.000 1.156 383 G CA -0.201 44.907 45.100 0.013 0.000 0.757 383 G HN 0.188 nan 8.290 nan 0.000 0.642 384 S N 0.458 116.180 115.700 0.035 0.000 2.400 384 S HA -0.097 4.372 4.470 -0.000 0.000 0.232 384 S C 1.568 176.206 174.600 0.063 0.000 1.025 384 S CA 1.864 60.090 58.200 0.043 0.000 0.993 384 S CB -0.071 63.150 63.200 0.034 0.000 0.808 384 S HN 0.673 nan 8.310 nan 0.000 0.478 385 D N -0.356 120.085 120.400 0.068 0.000 2.339 385 D HA 0.114 4.754 4.640 -0.000 0.000 0.217 385 D C 0.033 176.371 176.300 0.064 0.000 1.050 385 D CA -0.065 53.970 54.000 0.058 0.000 0.856 385 D CB -0.210 40.615 40.800 0.041 0.000 0.922 385 D HN 0.423 nan 8.370 nan 0.000 0.518 386 Y N 2.545 122.822 120.300 -0.038 0.000 2.729 386 Y HA -0.053 4.497 4.550 -0.000 0.000 0.331 386 Y C 0.491 176.343 175.900 -0.079 0.000 1.208 386 Y CA 0.123 58.185 58.100 -0.063 0.000 1.521 386 Y CB 0.194 38.602 38.460 -0.087 0.000 1.233 386 Y HN -0.162 nan 8.280 nan 0.000 0.539 387 E N 5.490 125.433 120.200 -0.429 0.000 2.223 387 E HA 0.261 4.611 4.350 -0.000 0.000 0.282 387 E C -1.112 175.242 176.600 -0.411 0.000 1.046 387 E CA -0.466 55.747 56.400 -0.312 0.000 0.857 387 E CB 1.555 31.112 29.700 -0.239 0.000 1.055 387 E HN 0.441 nan 8.360 nan 0.000 0.409 388 V N 3.648 123.438 119.914 -0.207 0.000 2.555 388 V HA 0.177 4.297 4.120 -0.000 0.000 0.302 388 V C -0.871 175.143 176.094 -0.133 0.000 1.038 388 V CA -0.859 61.319 62.300 -0.204 0.000 0.887 388 V CB 1.971 33.584 31.823 -0.350 0.000 0.991 388 V HN 0.517 nan 8.190 nan 0.000 0.434 389 D N 4.022 124.356 120.400 -0.109 0.000 2.401 389 D HA 0.364 5.004 4.640 -0.000 0.000 0.254 389 D C -0.111 176.196 176.300 0.013 0.000 1.192 389 D CA 0.857 54.831 54.000 -0.044 0.000 0.885 389 D CB 0.928 41.686 40.800 -0.070 0.000 1.147 389 D HN 0.710 nan 8.370 nan 0.000 0.478 390 T N 2.962 117.560 114.554 0.073 0.000 2.841 390 T HA 0.462 4.812 4.350 -0.000 0.000 0.283 390 T C 0.384 175.183 174.700 0.165 0.000 1.000 390 T CA -0.606 61.590 62.100 0.159 0.000 0.977 390 T CB 0.828 69.813 68.868 0.195 0.000 0.979 390 T HN 0.158 nan 8.240 nan 0.000 0.446 391 I N 3.029 123.682 120.570 0.138 0.000 2.312 391 I HA 0.150 4.320 4.170 -0.000 0.000 0.291 391 I C 0.445 176.623 176.117 0.103 0.000 1.031 391 I CA -0.530 60.802 61.300 0.053 0.000 1.293 391 I CB 0.668 38.649 38.000 -0.032 0.000 1.403 391 I HN 0.536 nan 8.210 nan 0.000 0.484 392 D N 7.221 127.694 120.400 0.122 0.000 2.398 392 D HA 0.037 4.677 4.640 -0.000 0.000 0.250 392 D C 1.104 177.349 176.300 -0.091 0.000 1.287 392 D CA -0.007 54.005 54.000 0.021 0.000 0.992 392 D CB 1.015 42.058 40.800 0.406 0.000 1.071 392 D HN 0.293 nan 8.370 nan 0.000 0.514 393 V N 4.813 124.580 119.914 -0.246 0.000 2.231 393 V HA -0.340 3.780 4.120 -0.000 0.000 0.250 393 V C 1.752 177.846 176.094 0.001 0.000 1.058 393 V CA 1.569 63.768 62.300 -0.169 0.000 1.022 393 V CB -0.968 30.691 31.823 -0.273 0.000 0.640 393 V HN 0.566 nan 8.190 nan 0.000 0.445 394 Y N 0.276 120.581 120.300 0.008 0.000 2.224 394 Y HA -0.140 4.410 4.550 -0.000 0.000 0.289 394 Y C 2.332 178.367 175.900 0.225 0.000 1.146 394 Y CA 1.356 59.518 58.100 0.104 0.000 1.182 394 Y CB -1.050 37.422 38.460 0.019 0.000 0.983 394 Y HN 0.351 nan 8.280 nan 0.000 0.524 395 N N 0.185 119.100 118.700 0.358 0.000 2.461 395 N HA -0.079 4.661 4.740 -0.000 0.000 0.188 395 N C -0.163 175.316 175.510 -0.052 0.000 1.134 395 N CA 0.185 53.407 53.050 0.287 0.000 0.878 395 N CB -0.124 38.582 38.487 0.365 0.000 0.972 395 N HN 0.006 nan 8.380 nan 0.000 0.456 396 Q N -0.115 119.598 119.800 -0.146 0.000 2.402 396 Q HA -0.182 4.158 4.340 -0.000 0.000 0.356 396 Q C -0.972 174.849 176.000 -0.298 0.000 1.344 396 Q CA 0.800 56.409 55.803 -0.324 0.000 1.062 396 Q CB -1.974 26.338 28.738 -0.710 0.000 1.268 396 Q HN 0.328 nan 8.270 nan 0.000 0.383 397 S N -1.016 114.549 115.700 -0.226 0.000 2.596 397 S HA 0.673 5.143 4.470 -0.000 0.000 0.270 397 S C -0.310 174.036 174.600 -0.423 0.000 1.155 397 S CA -0.401 57.602 58.200 -0.329 0.000 0.827 397 S CB 2.246 65.213 63.200 -0.388 0.000 1.130 397 S HN 0.362 nan 8.310 nan 0.000 0.467 398 T N 0.087 114.342 114.554 -0.500 0.000 2.829 398 T HA 0.820 5.169 4.350 -0.000 0.000 0.280 398 T C -1.504 172.938 174.700 -0.430 0.000 0.999 398 T CA -0.403 61.487 62.100 -0.349 0.000 0.983 398 T CB 0.533 69.299 68.868 -0.170 0.000 0.968 398 T HN 0.456 nan 8.240 nan 0.000 0.446 399 Y N 0.175 120.565 120.300 0.149 0.000 2.609 399 Y HA 0.637 5.187 4.550 -0.000 0.000 0.342 399 Y C 0.607 176.561 175.900 0.090 0.000 1.058 399 Y CA -1.292 56.887 58.100 0.132 0.000 1.055 399 Y CB 1.891 40.438 38.460 0.145 0.000 1.292 399 Y HN 0.713 nan 8.280 nan 0.000 0.476 400 S N 2.510 118.348 115.700 0.231 0.000 2.585 400 S HA 0.598 5.067 4.470 -0.000 0.000 0.273 400 S C -0.593 174.097 174.600 0.150 0.000 1.339 400 S CA -0.401 57.864 58.200 0.109 0.000 1.028 400 S CB 0.346 63.571 63.200 0.041 0.000 0.906 400 S HN 0.620 nan 8.310 nan 0.000 0.528 401 M N 2.144 121.785 119.600 0.069 0.000 2.323 401 M HA 0.259 4.739 4.480 -0.000 0.000 0.278 401 M C -1.705 174.612 176.300 0.027 0.000 1.069 401 M CA -0.487 54.858 55.300 0.075 0.000 0.950 401 M CB 1.107 33.644 32.600 -0.105 0.000 1.879 401 M HN 0.465 nan 8.290 nan 0.000 0.491 402 K N 2.587 123.026 120.400 0.066 0.000 2.524 402 K HA -0.032 4.288 4.320 -0.000 0.000 0.279 402 K C 0.811 177.448 176.600 0.061 0.000 0.993 402 K CA -0.202 56.116 56.287 0.052 0.000 1.030 402 K CB 0.638 33.182 32.500 0.073 0.000 0.891 402 K HN 0.562 nan 8.250 nan 0.000 0.488 403 L N 3.098 124.355 121.223 0.057 0.000 2.191 403 L HA -0.195 4.144 4.340 -0.000 0.000 0.212 403 L C 1.550 178.488 176.870 0.112 0.000 1.103 403 L CA 1.908 56.779 54.840 0.053 0.000 0.769 403 L CB -0.520 41.556 42.059 0.029 0.000 0.908 403 L HN 0.721 nan 8.230 nan 0.000 0.438 404 D N -2.088 118.366 120.400 0.090 0.000 2.162 404 D HA -0.133 4.507 4.640 -0.000 0.000 0.203 404 D C 1.931 178.285 176.300 0.090 0.000 0.967 404 D CA 1.363 55.412 54.000 0.083 0.000 0.840 404 D CB 0.213 41.049 40.800 0.061 0.000 0.972 404 D HN 0.291 nan 8.370 nan 0.000 0.482 405 T N -0.242 114.367 114.554 0.091 0.000 2.708 405 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 405 T C 1.642 176.355 174.700 0.022 0.000 1.037 405 T CA 1.035 63.176 62.100 0.068 0.000 1.146 405 T CB -0.630 68.300 68.868 0.102 0.000 0.865 405 T HN 0.202 nan 8.240 nan 0.000 0.435 406 F N 2.442 122.336 119.950 -0.094 0.000 2.065 406 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 406 F C 2.665 178.488 175.800 0.037 0.000 1.112 406 F CA 1.479 59.438 58.000 -0.069 0.000 1.212 406 F CB -0.194 38.815 39.000 0.014 0.000 0.975 406 F HN -0.112 nan 8.300 nan 0.000 0.476 407 R N 1.313 121.942 120.500 0.215 0.000 2.096 407 R HA -0.263 4.077 4.340 -0.000 0.000 0.240 407 R C 2.398 178.729 176.300 0.051 0.000 1.139 407 R CA 2.259 58.435 56.100 0.127 0.000 0.952 407 R CB -0.720 29.644 30.300 0.107 0.000 0.854 407 R HN 0.458 nan 8.270 nan 0.000 0.436 408 K N 0.378 120.793 120.400 0.025 0.000 2.097 408 K HA -0.110 4.209 4.320 -0.000 0.000 0.206 408 K C 2.205 178.785 176.600 -0.034 0.000 1.049 408 K CA 1.306 57.596 56.287 0.005 0.000 0.933 408 K CB -0.166 32.343 32.500 0.014 0.000 0.717 408 K HN 0.240 nan 8.250 nan 0.000 0.442 409 L N -0.066 121.097 121.223 -0.099 0.000 2.179 409 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 409 L C 2.370 179.144 176.870 -0.159 0.000 1.096 409 L CA 0.663 55.417 54.840 -0.143 0.000 0.779 409 L CB -0.304 41.605 42.059 -0.250 0.000 0.922 409 L HN 0.171 nan 8.230 nan 0.000 0.443 410 F N 0.438 120.169 119.950 -0.364 0.000 2.163 410 F HA -0.107 4.420 4.527 -0.000 0.000 0.297 410 F C 2.555 178.259 175.800 -0.160 0.000 1.094 410 F CA 1.152 58.951 58.000 -0.336 0.000 1.290 410 F CB 0.054 38.805 39.000 -0.414 0.000 1.017 410 F HN -0.129 nan 8.300 nan 0.000 0.483 411 R N 0.286 120.837 120.500 0.085 0.000 2.236 411 R HA -0.036 4.304 4.340 -0.000 0.000 0.208 411 R C 0.013 176.289 176.300 -0.040 0.000 1.036 411 R CA 0.456 56.580 56.100 0.040 0.000 1.001 411 R CB -1.271 29.075 30.300 0.075 0.000 0.896 411 R HN 0.217 nan 8.270 nan 0.000 0.464 412 D N 0.852 121.217 120.400 -0.059 0.000 2.416 412 D HA 0.015 4.655 4.640 -0.000 0.000 0.240 412 D C 0.170 176.408 176.300 -0.103 0.000 1.250 412 D CA 0.329 54.290 54.000 -0.065 0.000 0.967 412 D CB 0.659 41.429 40.800 -0.050 0.000 1.059 412 D HN -0.041 nan 8.370 nan 0.000 0.512 413 T N 2.607 117.099 114.554 -0.102 0.000 3.035 413 T HA -0.069 4.280 4.350 -0.000 0.000 0.259 413 T C 1.710 176.361 174.700 -0.081 0.000 1.078 413 T CA 0.472 62.497 62.100 -0.125 0.000 1.132 413 T CB 0.232 69.028 68.868 -0.120 0.000 0.900 413 T HN 0.406 nan 8.240 nan 0.000 0.480 414 K N 1.508 121.875 120.400 -0.055 0.000 2.002 414 K HA -0.047 4.273 4.320 -0.000 0.000 0.209 414 K C 0.040 176.621 176.600 -0.032 0.000 1.048 414 K CA 1.175 57.440 56.287 -0.037 0.000 0.930 414 K CB 0.031 32.516 32.500 -0.026 0.000 0.714 414 K HN 0.085 nan 8.250 nan 0.000 0.438 415 N N 1.075 119.756 118.700 -0.031 0.000 2.457 415 N HA 0.184 4.924 4.740 -0.000 0.000 0.250 415 N C -1.369 174.128 175.510 -0.021 0.000 0.982 415 N CA -0.271 52.768 53.050 -0.018 0.000 0.941 415 N CB 1.486 39.968 38.487 -0.008 0.000 1.120 415 N HN 0.125 nan 8.380 nan 0.000 0.505 416 R N 3.045 123.536 120.500 -0.015 0.000 2.644 416 R HA 0.215 4.555 4.340 -0.000 0.000 0.271 416 R C -1.734 174.574 176.300 0.012 0.000 1.687 416 R CA -1.091 55.000 56.100 -0.014 0.000 1.655 416 R CB 1.138 31.407 30.300 -0.051 0.000 1.285 416 R HN 0.417 nan 8.270 nan 0.000 0.643 417 P HA -0.101 nan 4.420 nan 0.000 0.215 417 P C 0.064 177.366 177.300 0.004 0.000 1.157 417 P CA 0.901 63.997 63.100 -0.005 0.000 0.863 417 P CB 0.362 32.045 31.700 -0.028 0.000 0.787 418 L N -1.045 120.147 121.223 -0.052 0.000 2.352 418 L HA 0.370 4.710 4.340 -0.000 0.000 0.269 418 L C 0.200 176.781 176.870 -0.482 0.000 1.034 418 L CA -0.886 53.783 54.840 -0.285 0.000 0.806 418 L CB 0.339 42.212 42.059 -0.310 0.000 1.244 418 L HN -0.108 nan 8.230 nan 0.000 0.447 419 L N 1.752 122.426 121.223 -0.914 0.000 2.334 419 L HA 0.484 4.823 4.340 -0.000 0.000 0.276 419 L C -1.402 175.041 176.870 -0.710 0.000 1.014 419 L CA -0.726 53.722 54.840 -0.652 0.000 0.815 419 L CB 1.589 43.262 42.059 -0.643 0.000 1.268 419 L HN 0.404 nan 8.230 nan 0.000 0.428 420 Y N 1.005 121.244 120.300 -0.100 0.000 2.354 420 Y HA 0.364 4.914 4.550 -0.000 0.000 0.330 420 Y C -0.329 175.698 175.900 0.211 0.000 1.011 420 Y CA -0.657 57.478 58.100 0.057 0.000 1.099 420 Y CB 1.669 40.186 38.460 0.095 0.000 1.179 420 Y HN 0.516 nan 8.280 nan 0.000 0.442 421 N N 3.016 121.869 118.700 0.255 0.000 2.319 421 N HA 0.559 5.299 4.740 -0.000 0.000 0.305 421 N C -1.430 174.113 175.510 0.055 0.000 1.103 421 N CA -1.006 52.113 53.050 0.115 0.000 0.815 421 N CB 1.805 40.291 38.487 -0.002 0.000 1.288 421 N HN 0.366 nan 8.380 nan 0.000 0.493 422 F N -0.040 119.867 119.950 -0.071 0.000 2.384 422 F HA 0.373 4.900 4.527 -0.000 0.000 0.338 422 F C 1.317 177.028 175.800 -0.149 0.000 1.103 422 F CA -1.044 56.850 58.000 -0.176 0.000 1.157 422 F CB 0.459 39.244 39.000 -0.360 0.000 1.167 422 F HN 0.368 nan 8.300 nan 0.000 0.529 423 L N 0.768 122.041 121.223 0.084 0.000 1.951 423 L HA -0.238 4.102 4.340 -0.000 0.000 0.222 423 L C 2.005 178.811 176.870 -0.107 0.000 1.078 423 L CA 2.472 57.275 54.840 -0.062 0.000 0.778 423 L CB -0.252 41.741 42.059 -0.110 0.000 0.893 423 L HN 0.969 nan 8.230 nan 0.000 0.436 424 S N -2.658 113.001 115.700 -0.069 0.000 4.098 424 S HA 0.108 4.578 4.470 -0.000 0.000 0.193 424 S C -0.039 174.588 174.600 0.045 0.000 1.049 424 S CA 0.262 58.386 58.200 -0.127 0.000 1.034 424 S CB 0.010 63.074 63.200 -0.228 0.000 1.380 424 S HN 0.230 nan 8.310 nan 0.000 0.629 425 L N 2.711 123.924 121.223 -0.016 0.000 3.425 425 L HA -0.051 4.289 4.340 -0.000 0.000 0.686 425 L C -0.735 176.220 176.870 0.142 0.000 1.147 425 L CA 0.526 55.368 54.840 0.004 0.000 1.187 425 L CB -1.397 40.518 42.059 -0.241 0.000 1.670 425 L HN 0.560 nan 8.230 nan 0.000 0.874 426 E N 3.695 123.949 120.200 0.089 0.000 2.200 426 E HA 0.356 4.706 4.350 -0.000 0.000 0.283 426 E C 0.316 176.938 176.600 0.036 0.000 1.015 426 E CA -0.229 56.181 56.400 0.017 0.000 0.819 426 E CB 0.382 30.063 29.700 -0.032 0.000 1.081 426 E HN 0.473 nan 8.360 nan 0.000 0.397 427 F N 1.693 121.681 119.950 0.063 0.000 2.735 427 F HA 0.234 4.761 4.527 -0.000 0.000 0.304 427 F C 1.312 177.129 175.800 0.027 0.000 1.119 427 F CA -0.443 57.570 58.000 0.022 0.000 1.280 427 F CB -0.263 38.749 39.000 0.021 0.000 0.994 427 F HN 0.229 nan 8.300 nan 0.000 0.520 428 S N -0.386 115.231 115.700 -0.138 0.000 2.474 428 S HA -0.195 4.275 4.470 -0.000 0.000 0.235 428 S C 1.084 175.699 174.600 0.025 0.000 0.997 428 S CA 1.135 59.288 58.200 -0.080 0.000 0.949 428 S CB -0.595 62.535 63.200 -0.117 0.000 0.766 428 S HN 0.628 nan 8.310 nan 0.000 0.517 429 D N 0.171 120.601 120.400 0.049 0.000 2.440 429 D HA 0.127 4.767 4.640 -0.000 0.000 0.216 429 D C -0.207 176.136 176.300 0.071 0.000 1.150 429 D CA -0.502 53.529 54.000 0.050 0.000 0.832 429 D CB -1.060 39.759 40.800 0.031 0.000 0.992 429 D HN 0.454 nan 8.370 nan 0.000 0.502 430 N N 0.716 119.480 118.700 0.106 0.000 2.527 430 N HA 0.095 4.835 4.740 -0.000 0.000 0.236 430 N C 0.801 176.355 175.510 0.073 0.000 0.999 430 N CA -0.392 52.708 53.050 0.082 0.000 0.935 430 N CB 0.539 39.069 38.487 0.072 0.000 1.132 430 N HN -0.195 nan 8.380 nan 0.000 0.511 431 N N 2.276 121.004 118.700 0.047 0.000 2.096 431 N HA -0.276 4.464 4.740 -0.000 0.000 0.195 431 N C 1.121 176.645 175.510 0.022 0.000 1.017 431 N CA 1.296 54.367 53.050 0.035 0.000 0.870 431 N CB -0.056 38.445 38.487 0.024 0.000 1.024 431 N HN 0.758 nan 8.380 nan 0.000 0.434 432 E N -0.218 119.988 120.200 0.010 0.000 2.046 432 E HA -0.055 4.295 4.350 -0.000 0.000 0.190 432 E C 1.851 178.431 176.600 -0.034 0.000 0.982 432 E CA 0.624 57.017 56.400 -0.012 0.000 0.800 432 E CB 0.080 29.771 29.700 -0.015 0.000 0.756 432 E HN 0.073 nan 8.360 nan 0.000 0.449 433 M N 1.525 121.105 119.600 -0.034 0.000 2.117 433 M HA -0.155 4.325 4.480 -0.000 0.000 0.262 433 M C 2.247 178.555 176.300 0.013 0.000 1.065 433 M CA 1.678 56.900 55.300 -0.130 0.000 1.114 433 M CB -0.782 31.706 32.600 -0.187 0.000 1.361 433 M HN 0.129 nan 8.290 nan 0.000 0.408 434 K N -0.685 119.829 120.400 0.190 0.000 2.442 434 K HA -0.145 4.175 4.320 -0.000 0.000 0.198 434 K C 1.086 177.740 176.600 0.090 0.000 1.044 434 K CA 1.137 57.564 56.287 0.233 0.000 0.948 434 K CB -0.033 32.557 32.500 0.150 0.000 0.762 434 K HN 0.223 nan 8.250 nan 0.000 0.472 435 E N 0.859 121.065 120.200 0.009 0.000 2.307 435 E HA 0.102 4.452 4.350 -0.000 0.000 0.195 435 E C 2.012 178.545 176.600 -0.112 0.000 0.975 435 E CA 0.262 56.636 56.400 -0.044 0.000 0.878 435 E CB 0.037 29.712 29.700 -0.042 0.000 0.845 435 E HN 0.366 nan 8.360 nan 0.000 0.488 436 I N 1.083 121.550 120.570 -0.172 0.000 2.163 436 I HA -0.139 4.030 4.170 -0.000 0.000 0.240 436 I C 0.973 176.843 176.117 -0.411 0.000 1.081 436 I CA 0.868 61.979 61.300 -0.316 0.000 1.353 436 I CB 0.031 37.772 38.000 -0.432 0.000 1.054 436 I HN -0.110 nan 8.210 nan 0.000 0.407 437 A N 1.536 124.119 122.820 -0.394 0.000 2.311 437 A HA 0.589 4.908 4.320 -0.000 0.000 0.306 437 A C -0.487 177.077 177.584 -0.033 0.000 1.189 437 A CA -0.557 51.252 52.037 -0.379 0.000 0.791 437 A CB 0.758 19.248 19.000 -0.850 0.000 1.172 437 A HN 0.090 nan 8.150 nan 0.000 0.481 438 K N 2.017 122.348 120.400 -0.115 0.000 2.395 438 K HA 0.641 4.960 4.320 -0.000 0.000 0.245 438 K C -3.018 173.421 176.600 -0.269 0.000 1.017 438 K CA -2.029 54.192 56.287 -0.110 0.000 0.852 438 K CB 1.944 34.362 32.500 -0.137 0.000 1.311 438 K HN 0.342 nan 8.250 nan 0.000 0.452 439 P HA 0.222 nan 4.420 nan 0.000 0.277 439 P C -2.606 174.263 177.300 -0.719 0.000 1.240 439 P CA -1.570 60.945 63.100 -0.976 0.000 0.798 439 P CB -0.099 31.116 31.700 -0.809 0.000 0.979 440 P HA -0.025 nan 4.420 nan 0.000 0.264 440 P C 0.967 178.005 177.300 -0.437 0.000 1.179 440 P CA 0.138 62.945 63.100 -0.488 0.000 0.763 440 P CB 0.441 31.891 31.700 -0.417 0.000 0.806 441 R N 4.214 124.571 120.500 -0.240 0.000 2.113 441 R HA -0.224 4.116 4.340 -0.000 0.000 0.244 441 R C 1.963 178.157 176.300 -0.176 0.000 1.142 441 R CA 2.300 58.293 56.100 -0.178 0.000 0.953 441 R CB -1.505 28.738 30.300 -0.095 0.000 0.860 441 R HN 0.591 nan 8.270 nan 0.000 0.438 442 F N -0.992 118.816 119.950 -0.237 0.000 2.269 442 F HA -0.018 4.508 4.527 -0.000 0.000 0.301 442 F C 1.557 177.200 175.800 -0.262 0.000 1.082 442 F CA 0.866 58.738 58.000 -0.214 0.000 1.360 442 F CB -0.598 38.263 39.000 -0.232 0.000 1.041 442 F HN -0.121 nan 8.300 nan 0.000 0.512 443 V N 1.110 120.264 119.914 -1.268 0.000 2.379 443 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 443 V C 2.434 178.118 176.094 -0.682 0.000 1.044 443 V CA 2.138 63.679 62.300 -1.265 0.000 1.036 443 V CB -0.822 30.102 31.823 -1.499 0.000 0.664 443 V HN 0.437 nan 8.190 nan 0.000 0.453 444 Q N -0.225 119.295 119.800 -0.467 0.000 2.167 444 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 444 Q C 2.153 178.077 176.000 -0.128 0.000 0.970 444 Q CA 1.619 57.276 55.803 -0.244 0.000 0.855 444 Q CB -0.173 28.451 28.738 -0.189 0.000 0.911 444 Q HN 0.678 nan 8.270 nan 0.000 0.438 445 E N 0.516 120.645 120.200 -0.118 0.000 2.204 445 E HA -0.118 4.231 4.350 -0.000 0.000 0.194 445 E C 1.754 178.378 176.600 0.041 0.000 0.989 445 E CA 1.001 57.391 56.400 -0.017 0.000 0.824 445 E CB 0.076 29.784 29.700 0.012 0.000 0.756 445 E HN 0.551 nan 8.360 nan 0.000 0.477 446 I N -2.999 117.584 120.570 0.021 0.000 4.139 446 I HA 0.202 4.372 4.170 -0.000 0.000 0.335 446 I C 0.820 177.057 176.117 0.200 0.000 1.327 446 I CA -0.442 60.944 61.300 0.144 0.000 1.112 446 I CB 0.846 38.974 38.000 0.213 0.000 1.058 446 I HN -0.208 nan 8.210 nan 0.000 0.396 447 S N 1.591 117.353 115.700 0.104 0.000 2.481 447 S HA 0.233 4.703 4.470 -0.000 0.000 0.282 447 S C 1.092 175.830 174.600 0.231 0.000 1.243 447 S CA -0.322 58.002 58.200 0.206 0.000 1.078 447 S CB 0.485 63.745 63.200 0.098 0.000 0.916 447 S HN 0.411 nan 8.310 nan 0.000 0.495 448 M N 4.682 124.418 119.600 0.226 0.000 2.117 448 M HA -0.094 4.385 4.480 -0.000 0.000 0.262 448 M C 2.018 178.502 176.300 0.307 0.000 1.065 448 M CA 1.415 56.821 55.300 0.177 0.000 1.114 448 M CB -0.496 32.021 32.600 -0.139 0.000 1.361 448 M HN 0.618 nan 8.290 nan 0.000 0.408 449 V N 0.880 120.994 119.914 0.335 0.000 2.407 449 V HA -0.259 3.860 4.120 -0.000 0.000 0.248 449 V C 2.088 178.438 176.094 0.427 0.000 1.055 449 V CA 2.028 64.599 62.300 0.452 0.000 1.049 449 V CB -0.950 31.088 31.823 0.360 0.000 0.662 449 V HN 0.522 nan 8.190 nan 0.000 0.455 450 N N 0.319 119.190 118.700 0.284 0.000 2.309 450 N HA -0.178 4.562 4.740 -0.000 0.000 0.182 450 N C 1.847 177.477 175.510 0.200 0.000 1.018 450 N CA 1.171 54.348 53.050 0.211 0.000 0.876 450 N CB -0.225 38.330 38.487 0.114 0.000 0.972 450 N HN 0.316 nan 8.380 nan 0.000 0.434 451 R N 0.196 120.828 120.500 0.220 0.000 2.090 451 R HA 0.172 4.512 4.340 -0.000 0.000 0.228 451 R C 1.861 178.226 176.300 0.109 0.000 1.110 451 R CA 1.170 57.373 56.100 0.172 0.000 0.973 451 R CB -0.541 29.912 30.300 0.255 0.000 0.869 451 R HN 0.308 nan 8.270 nan 0.000 0.440 452 L N -1.623 119.690 121.223 0.150 0.000 2.249 452 L HA 0.138 4.478 4.340 -0.000 0.000 0.207 452 L C 0.609 177.335 176.870 -0.241 0.000 1.090 452 L CA 0.241 55.021 54.840 -0.101 0.000 0.802 452 L CB 0.003 41.944 42.059 -0.196 0.000 0.947 452 L HN 0.170 nan 8.230 nan 0.000 0.453 453 W N 1.243 122.598 121.300 0.092 0.000 1.986 453 W HA 0.329 4.989 4.660 -0.000 0.000 0.287 453 W C -2.237 174.320 176.519 0.064 0.000 0.866 453 W CA -1.688 55.703 57.345 0.076 0.000 2.056 453 W CB -0.091 29.415 29.460 0.076 0.000 2.290 453 W HN -0.021 nan 8.180 nan 0.000 0.396 471 L N 1.498 122.601 121.223 -0.201 0.000 2.350 471 L HA 0.782 5.122 4.340 -0.000 0.000 0.260 471 L C -2.488 174.393 176.870 0.017 0.000 1.015 471 L CA -2.403 52.298 54.840 -0.231 0.000 0.821 471 L CB 2.653 44.393 42.059 -0.532 0.000 1.370 471 L HN -0.139 nan 8.230 nan 0.000 0.416 472 P HA -0.013 nan 4.420 nan 0.000 0.263 472 P C 0.081 177.575 177.300 0.323 0.000 1.195 472 P CA 0.092 63.273 63.100 0.135 0.000 0.762 472 P CB 0.736 32.495 31.700 0.098 0.000 0.799 473 E N 3.290 123.606 120.200 0.193 0.000 2.153 473 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 473 E C 1.068 177.672 176.600 0.007 0.000 0.988 473 E CA 1.484 57.960 56.400 0.128 0.000 0.811 473 E CB -0.442 29.304 29.700 0.076 0.000 0.746 473 E HN 0.476 nan 8.360 nan 0.000 0.466 474 D N -0.332 120.084 120.400 0.028 0.000 2.371 474 D HA -0.145 4.494 4.640 -0.000 0.000 0.234 474 D C 0.862 177.152 176.300 -0.015 0.000 1.049 474 D CA 0.439 54.433 54.000 -0.010 0.000 0.907 474 D CB -0.049 40.753 40.800 0.003 0.000 0.891 474 D HN 0.377 nan 8.370 nan 0.000 0.531 475 Q N -0.436 119.369 119.800 0.010 0.000 2.214 475 Q HA 0.131 4.471 4.340 -0.000 0.000 0.229 475 Q C 0.475 176.295 176.000 -0.299 0.000 0.835 475 Q CA -0.448 55.373 55.803 0.030 0.000 0.953 475 Q CB 1.207 30.113 28.738 0.280 0.000 1.131 475 Q HN 0.095 nan 8.270 nan 0.000 0.501 476 R N 2.651 122.716 120.500 -0.725 0.000 2.401 476 R HA 0.144 4.484 4.340 -0.000 0.000 0.299 476 R C -2.508 173.422 176.300 -0.618 0.000 1.064 476 R CA -1.617 53.665 56.100 -1.364 0.000 1.000 476 R CB 0.408 29.891 30.300 -1.363 0.000 0.973 476 R HN -0.193 nan 8.270 nan 0.000 0.438 477 P HA 0.011 nan 4.420 nan 0.000 0.265 477 P C -1.168 176.010 177.300 -0.203 0.000 1.222 477 P CA 0.318 63.261 63.100 -0.261 0.000 0.767 477 P CB 0.462 32.053 31.700 -0.182 0.000 0.801 478 K N 2.992 123.295 120.400 -0.161 0.000 2.222 478 K HA 0.185 4.505 4.320 -0.000 0.000 0.243 478 K C 0.589 177.160 176.600 -0.050 0.000 1.160 478 K CA -0.112 56.112 56.287 -0.106 0.000 1.090 478 K CB -0.010 32.428 32.500 -0.104 0.000 1.694 478 K HN 0.303 nan 8.250 nan 0.000 0.361 479 V N -1.369 118.560 119.914 0.025 0.000 3.372 479 V HA 0.165 4.285 4.120 -0.000 0.000 0.304 479 V C 0.985 177.228 176.094 0.248 0.000 1.530 479 V CA -0.200 62.202 62.300 0.170 0.000 1.080 479 V CB 0.489 32.475 31.823 0.271 0.000 0.929 479 V HN 0.450 nan 8.190 nan 0.000 0.455 480 E N 0.822 121.109 120.200 0.144 0.000 2.447 480 E HA 0.216 4.566 4.350 -0.000 0.000 0.195 480 E C 0.515 177.131 176.600 0.025 0.000 1.028 480 E CA 0.179 56.680 56.400 0.168 0.000 0.876 480 E CB 0.341 30.142 29.700 0.170 0.000 0.885 480 E HN 0.762 nan 8.360 nan 0.000 0.500 481 Q N 0.552 120.253 119.800 -0.166 0.000 2.533 481 Q HA 0.259 4.598 4.340 -0.000 0.000 0.251 481 Q C -1.377 174.205 176.000 -0.696 0.000 0.966 481 Q CA -0.514 54.982 55.803 -0.511 0.000 0.714 481 Q CB 1.089 29.358 28.738 -0.782 0.000 1.284 481 Q HN 0.122 nan 8.270 nan 0.000 0.478 482 F N -1.336 118.473 119.950 -0.235 0.000 2.579 482 F HA 0.850 5.377 4.527 -0.000 0.000 0.324 482 F C -0.761 175.188 175.800 0.247 0.000 1.058 482 F CA -1.368 56.611 58.000 -0.035 0.000 0.944 482 F CB 1.215 40.204 39.000 -0.018 0.000 1.245 482 F HN 0.339 nan 8.300 nan 0.000 0.477 483 C N 3.979 123.616 119.300 0.561 0.000 2.417 483 C HA 0.830 5.290 4.460 -0.000 0.000 0.324 483 C C -1.316 173.862 174.990 0.314 0.000 1.240 483 C CA -0.516 58.589 59.018 0.145 0.000 1.632 483 C CB 0.721 28.429 27.740 -0.053 0.000 2.241 483 C HN 0.795 nan 8.230 nan 0.000 0.499 484 L N 5.483 126.738 121.223 0.054 0.000 2.372 484 L HA 0.707 5.047 4.340 -0.000 0.000 0.274 484 L C 0.320 176.955 176.870 -0.392 0.000 0.988 484 L CA -0.113 54.676 54.840 -0.086 0.000 0.833 484 L CB 1.152 43.220 42.059 0.015 0.000 1.236 484 L HN 0.913 nan 8.230 nan 0.000 0.410 485 A N 2.423 124.606 122.820 -1.061 0.000 2.304 485 A HA 0.935 5.255 4.320 -0.000 0.000 0.323 485 A C 0.054 177.408 177.584 -0.383 0.000 1.195 485 A CA -0.069 51.513 52.037 -0.758 0.000 0.826 485 A CB 1.191 19.634 19.000 -0.928 0.000 1.184 485 A HN 0.736 nan 8.150 nan 0.000 0.496 486 G N 1.208 110.027 108.800 0.031 0.000 2.620 486 G HA2 0.563 4.522 3.960 -0.000 0.000 0.301 486 G HA3 0.563 4.522 3.960 -0.000 0.000 0.301 486 G C -0.671 174.400 174.900 0.285 0.000 1.347 486 G CA -0.735 44.456 45.100 0.151 0.000 0.971 486 G HN 0.641 nan 8.290 nan 0.000 0.488 487 M N 1.557 121.251 119.600 0.157 0.000 2.277 487 M HA 0.464 4.944 4.480 -0.000 0.000 0.350 487 M C 0.808 177.099 176.300 -0.015 0.000 1.180 487 M CA -0.546 54.745 55.300 -0.015 0.000 1.103 487 M CB 1.816 34.356 32.600 -0.100 0.000 1.577 487 M HN 0.624 nan 8.290 nan 0.000 0.459 488 A N 2.093 124.877 122.820 -0.060 0.000 2.537 488 A HA 0.415 4.735 4.320 -0.000 0.000 0.260 488 A C 1.115 178.707 177.584 0.013 0.000 1.082 488 A CA 0.833 52.864 52.037 -0.010 0.000 0.765 488 A CB -0.972 18.007 19.000 -0.035 0.000 1.019 488 A HN 1.202 nan 8.150 nan 0.000 0.507 489 G N 1.941 110.782 108.800 0.068 0.000 2.192 489 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.193 489 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.193 489 G C 0.414 175.405 174.900 0.151 0.000 0.999 489 G CA 0.127 45.295 45.100 0.113 0.000 0.659 489 G HN 1.007 nan 8.290 nan 0.000 0.503 490 S N -0.440 115.328 115.700 0.114 0.000 2.603 490 S HA 0.657 5.127 4.470 -0.000 0.000 0.268 490 S C -0.596 174.143 174.600 0.232 0.000 1.317 490 S CA 0.006 58.273 58.200 0.113 0.000 1.012 490 S CB 1.377 64.606 63.200 0.048 0.000 0.926 490 S HN 0.787 nan 8.310 nan 0.000 0.539 491 Y N 0.485 120.823 120.300 0.064 0.000 2.433 491 Y HA 0.400 4.950 4.550 -0.000 0.000 0.337 491 Y C -0.773 175.123 175.900 -0.007 0.000 1.026 491 Y CA -0.415 57.724 58.100 0.064 0.000 1.037 491 Y CB 1.552 40.075 38.460 0.106 0.000 1.245 491 Y HN 0.531 nan 8.280 nan 0.000 0.443 492 T N 5.937 120.054 114.554 -0.729 0.000 2.770 492 T HA 0.182 4.531 4.350 -0.000 0.000 0.283 492 T C -0.998 173.111 174.700 -0.985 0.000 0.988 492 T CA -0.459 61.272 62.100 -0.616 0.000 0.957 492 T CB 0.655 69.316 68.868 -0.345 0.000 0.930 492 T HN 0.603 nan 8.240 nan 0.000 0.443 493 D N 1.427 121.505 120.400 -0.536 0.000 2.360 493 D HA 0.214 4.853 4.640 -0.000 0.000 0.242 493 D C 0.009 176.269 176.300 -0.067 0.000 1.184 493 D CA -0.585 53.294 54.000 -0.201 0.000 0.930 493 D CB 0.424 41.315 40.800 0.152 0.000 1.161 493 D HN 0.309 nan 8.370 nan 0.000 0.447 494 F N 2.127 122.110 119.950 0.054 0.000 2.629 494 F HA 0.090 4.617 4.527 -0.000 0.000 0.377 494 F C 1.123 176.925 175.800 0.002 0.000 1.101 494 F CA 0.897 58.855 58.000 -0.070 0.000 1.301 494 F CB 0.280 39.162 39.000 -0.197 0.000 1.062 494 F HN 0.288 nan 8.300 nan 0.000 0.583 495 H N -0.424 118.537 119.070 -0.182 0.000 3.014 495 H HA 0.626 5.182 4.556 -0.000 0.000 0.337 495 H C -1.918 173.122 175.328 -0.480 0.000 1.320 495 H CA -1.232 54.684 56.048 -0.220 0.000 1.128 495 H CB 0.676 30.341 29.762 -0.162 0.000 1.862 495 H HN 0.307 nan 8.280 nan 0.000 0.536 496 V N 1.783 121.512 119.914 -0.308 0.000 2.417 496 V HA 0.112 4.232 4.120 -0.000 0.000 0.291 496 V C -0.199 175.893 176.094 -0.004 0.000 1.024 496 V CA -0.659 61.486 62.300 -0.257 0.000 0.861 496 V CB 1.212 32.835 31.823 -0.333 0.000 0.985 496 V HN 0.680 nan 8.190 nan 0.000 0.436 497 D N 4.046 124.477 120.400 0.052 0.000 2.525 497 D HA 0.131 4.771 4.640 -0.000 0.000 0.235 497 D C 0.196 176.464 176.300 -0.055 0.000 1.137 497 D CA 0.340 54.335 54.000 -0.008 0.000 0.868 497 D CB 0.263 41.012 40.800 -0.086 0.000 1.180 497 D HN 0.418 nan 8.370 nan 0.000 0.465 498 F N -0.316 119.769 119.950 0.226 0.000 2.629 498 F HA 0.284 4.811 4.527 -0.000 0.000 0.369 498 F C 1.702 177.699 175.800 0.328 0.000 1.125 498 F CA -0.451 57.690 58.000 0.235 0.000 1.330 498 F CB -0.169 38.950 39.000 0.198 0.000 1.071 498 F HN 0.461 nan 8.300 nan 0.000 0.595 499 G N 0.861 109.882 108.800 0.367 0.000 2.189 499 G HA2 0.027 3.987 3.960 -0.000 0.000 0.267 499 G HA3 0.027 3.987 3.960 -0.000 0.000 0.267 499 G C 1.123 176.078 174.900 0.091 0.000 0.975 499 G CA 0.429 45.623 45.100 0.157 0.000 0.644 499 G HN 2.468 nan 8.290 nan 0.000 0.537 500 G N -1.034 107.802 108.800 0.060 0.000 2.198 500 G HA2 0.072 4.031 3.960 -0.000 0.000 0.260 500 G HA3 0.072 4.031 3.960 -0.000 0.000 0.260 500 G C 0.744 175.635 174.900 -0.014 0.000 1.025 500 G CA 1.393 46.504 45.100 0.019 0.000 0.769 500 G HN 2.415 nan 8.290 nan 0.000 0.507 501 S N -0.570 115.118 115.700 -0.020 0.000 2.568 501 S HA 0.619 5.089 4.470 -0.000 0.000 0.282 501 S C 0.712 175.199 174.600 -0.188 0.000 1.338 501 S CA 0.416 58.572 58.200 -0.074 0.000 1.045 501 S CB 1.669 64.892 63.200 0.038 0.000 0.873 501 S HN 0.729 nan 8.310 nan 0.000 0.516 502 S N 0.738 116.181 115.700 -0.428 0.000 2.652 502 S HA 0.615 5.085 4.470 -0.000 0.000 0.270 502 S C -0.315 174.023 174.600 -0.437 0.000 1.243 502 S CA -0.771 57.090 58.200 -0.564 0.000 0.999 502 S CB 0.886 63.544 63.200 -0.903 0.000 0.973 502 S HN 0.690 nan 8.310 nan 0.000 0.544 503 V N 2.130 122.018 119.914 -0.044 0.000 2.789 503 V HA 0.491 4.610 4.120 -0.000 0.000 0.311 503 V C -1.219 175.145 176.094 0.450 0.000 1.073 503 V CA -0.968 61.464 62.300 0.219 0.000 0.921 503 V CB 1.279 33.197 31.823 0.158 0.000 1.009 503 V HN 0.872 nan 8.190 nan 0.000 0.426 504 Y N 2.164 122.695 120.300 0.386 0.000 2.409 504 Y HA 0.835 5.385 4.550 -0.000 0.000 0.339 504 Y C -1.404 174.641 175.900 0.242 0.000 1.033 504 Y CA -1.570 56.676 58.100 0.243 0.000 1.094 504 Y CB 1.494 40.011 38.460 0.094 0.000 1.210 504 Y HN 0.601 nan 8.280 nan 0.000 0.456 505 Y N 3.817 124.182 120.300 0.107 0.000 2.317 505 Y HA 0.337 4.887 4.550 -0.000 0.000 0.325 505 Y C -1.562 174.426 175.900 0.146 0.000 1.066 505 Y CA -0.863 57.273 58.100 0.060 0.000 1.203 505 Y CB 0.841 39.322 38.460 0.035 0.000 1.127 505 Y HN 0.983 nan 8.280 nan 0.000 0.451 506 H N 5.717 124.768 119.070 -0.031 0.000 2.481 506 H HA 0.515 5.070 4.556 -0.000 0.000 0.333 506 H C -1.017 174.312 175.328 0.002 0.000 1.066 506 H CA -0.727 55.344 56.048 0.039 0.000 1.209 506 H CB 0.888 30.699 29.762 0.082 0.000 1.445 506 H HN 0.517 nan 8.280 nan 0.000 0.488 507 I N 7.663 127.934 120.570 -0.499 0.000 2.294 507 I HA -0.060 4.110 4.170 -0.000 0.000 0.295 507 I C 0.823 176.736 176.117 -0.340 0.000 1.098 507 I CA -0.153 60.977 61.300 -0.283 0.000 1.277 507 I CB 0.383 38.319 38.000 -0.107 0.000 1.434 507 I HN 0.682 nan 8.210 nan 0.000 0.498 508 L N 7.163 128.341 121.223 -0.074 0.000 2.068 508 L HA 0.106 4.446 4.340 -0.000 0.000 0.204 508 L C 0.812 177.734 176.870 0.087 0.000 1.076 508 L CA 1.799 56.696 54.840 0.094 0.000 0.753 508 L CB -0.129 42.107 42.059 0.296 0.000 0.910 508 L HN 0.456 nan 8.230 nan 0.000 0.439 509 K N -1.350 119.100 120.400 0.083 0.000 2.464 509 K HA 0.552 4.872 4.320 -0.000 0.000 0.253 509 K C -0.194 176.454 176.600 0.080 0.000 0.933 509 K CA -0.118 56.222 56.287 0.089 0.000 0.801 509 K CB 2.024 34.595 32.500 0.118 0.000 1.271 509 K HN 0.233 nan 8.250 nan 0.000 0.430 510 G N 1.637 110.485 108.800 0.079 0.000 2.466 510 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 510 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 510 G C -1.091 173.855 174.900 0.077 0.000 1.237 510 G CA -0.013 45.138 45.100 0.085 0.000 0.954 510 G HN 0.706 nan 8.290 nan 0.000 0.580 511 E N -0.544 119.714 120.200 0.097 0.000 2.388 511 E HA 0.575 4.925 4.350 -0.000 0.000 0.282 511 E C -1.410 175.277 176.600 0.143 0.000 1.026 511 E CA -0.938 55.526 56.400 0.105 0.000 0.820 511 E CB 1.225 30.974 29.700 0.082 0.000 1.226 511 E HN 0.507 nan 8.360 nan 0.000 0.432 512 K N 3.053 123.561 120.400 0.181 0.000 2.435 512 K HA 0.555 4.875 4.320 -0.000 0.000 0.251 512 K C -0.772 175.944 176.600 0.193 0.000 0.954 512 K CA -0.768 55.650 56.287 0.219 0.000 0.820 512 K CB 1.852 34.575 32.500 0.372 0.000 1.292 512 K HN 0.512 nan 8.250 nan 0.000 0.436 513 I N 2.113 122.760 120.570 0.128 0.000 2.382 513 I HA 0.309 4.478 4.170 -0.000 0.000 0.286 513 I C -0.714 175.318 176.117 -0.141 0.000 1.002 513 I CA -0.761 60.540 61.300 0.002 0.000 1.135 513 I CB 0.726 38.689 38.000 -0.062 0.000 1.288 513 I HN 0.284 nan 8.210 nan 0.000 0.448 514 F N 5.521 125.293 119.950 -0.296 0.000 2.404 514 F HA 0.416 4.943 4.527 -0.000 0.000 0.339 514 F C -0.349 175.256 175.800 -0.324 0.000 1.105 514 F CA -0.357 57.508 58.000 -0.224 0.000 1.087 514 F CB 0.907 39.813 39.000 -0.157 0.000 1.143 514 F HN 0.237 nan 8.300 nan 0.000 0.491 515 Y N 4.937 125.424 120.300 0.312 0.000 2.356 515 Y HA 0.539 5.089 4.550 -0.000 0.000 0.334 515 Y C 0.150 176.349 175.900 0.498 0.000 0.958 515 Y CA -1.031 57.332 58.100 0.439 0.000 1.196 515 Y CB 0.803 39.618 38.460 0.591 0.000 1.137 515 Y HN 0.378 nan 8.280 nan 0.000 0.485 516 I N 0.122 121.039 120.570 0.578 0.000 2.846 516 I HA 1.078 5.248 4.170 -0.000 0.000 0.307 516 I C -0.958 175.483 176.117 0.540 0.000 1.053 516 I CA -1.230 60.416 61.300 0.576 0.000 1.050 516 I CB 2.504 40.789 38.000 0.475 0.000 1.239 516 I HN 0.526 nan 8.210 nan 0.000 0.439 517 A N 3.391 126.519 122.820 0.514 0.000 2.408 517 A HA 0.825 5.145 4.320 -0.000 0.000 0.295 517 A C -0.155 177.370 177.584 -0.097 0.000 1.040 517 A CA -0.433 51.754 52.037 0.249 0.000 0.707 517 A CB 1.220 20.331 19.000 0.185 0.000 1.235 517 A HN 1.323 nan 8.150 nan 0.000 0.418 518 A N 2.941 125.484 122.820 -0.462 0.000 2.547 518 A HA 0.498 4.818 4.320 -0.000 0.000 0.233 518 A C -2.122 174.980 177.584 -0.803 0.000 1.067 518 A CA -0.488 50.842 52.037 -1.177 0.000 0.763 518 A CB -0.490 18.103 19.000 -0.678 0.000 1.007 518 A HN 0.490 nan 8.150 nan 0.000 0.506 519 P HA 0.137 nan 4.420 nan 0.000 0.220 519 P C 0.053 176.806 177.300 -0.912 0.000 1.778 519 P CA 0.026 62.663 63.100 -0.771 0.000 0.912 519 P CB -0.629 30.728 31.700 -0.571 0.000 1.861 520 T N -3.716 110.421 114.554 -0.694 0.000 2.849 520 T HA 0.219 4.569 4.350 -0.000 0.000 0.284 520 T C 1.259 175.588 174.700 -0.618 0.000 1.004 520 T CA -0.537 61.242 62.100 -0.535 0.000 1.021 520 T CB 1.327 70.014 68.868 -0.302 0.000 1.013 520 T HN 0.087 nan 8.240 nan 0.000 0.527 521 E N -0.064 119.911 120.200 -0.375 0.000 2.118 521 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 521 E C 2.074 178.637 176.600 -0.063 0.000 0.992 521 E CA 1.256 57.538 56.400 -0.197 0.000 0.804 521 E CB -0.035 29.607 29.700 -0.096 0.000 0.741 521 E HN 0.709 nan 8.360 nan 0.000 0.458 522 Q N 1.153 120.909 119.800 -0.073 0.000 2.046 522 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 522 Q C 1.684 177.711 176.000 0.044 0.000 0.975 522 Q CA 1.586 57.383 55.803 -0.009 0.000 0.836 522 Q CB -0.241 28.480 28.738 -0.028 0.000 0.896 522 Q HN 0.136 nan 8.270 nan 0.000 0.428 523 N N -0.368 118.335 118.700 0.005 0.000 2.149 523 N HA -0.138 4.601 4.740 -0.000 0.000 0.188 523 N C 1.379 177.072 175.510 0.306 0.000 1.019 523 N CA 1.060 54.177 53.050 0.112 0.000 0.857 523 N CB -0.407 38.085 38.487 0.009 0.000 0.997 523 N HN 0.220 nan 8.380 nan 0.000 0.426 524 F N 1.410 121.372 119.950 0.020 0.000 2.075 524 F HA -0.025 4.502 4.527 -0.000 0.000 0.297 524 F C 2.454 178.308 175.800 0.091 0.000 1.113 524 F CA 0.446 58.480 58.000 0.057 0.000 1.218 524 F CB -1.326 37.684 39.000 0.017 0.000 0.984 524 F HN -0.001 nan 8.300 nan 0.000 0.472 525 A N 0.260 123.236 122.820 0.260 0.000 1.884 525 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 525 A C 2.493 180.159 177.584 0.138 0.000 1.197 525 A CA 2.702 54.827 52.037 0.146 0.000 0.637 525 A CB -1.426 17.631 19.000 0.095 0.000 0.827 525 A HN 0.332 nan 8.150 nan 0.000 0.450 526 A N -1.966 120.963 122.820 0.182 0.000 1.933 526 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 526 A C 2.160 179.914 177.584 0.283 0.000 1.175 526 A CA 1.816 53.993 52.037 0.232 0.000 0.628 526 A CB -0.756 18.404 19.000 0.268 0.000 0.814 526 A HN 0.805 nan 8.150 nan 0.000 0.444 527 Y N 0.234 120.575 120.300 0.068 0.000 2.163 527 Y HA -0.210 4.340 4.550 -0.000 0.000 0.288 527 Y C 2.533 178.365 175.900 -0.112 0.000 1.136 527 Y CA 2.142 60.105 58.100 -0.229 0.000 1.147 527 Y CB -0.633 37.636 38.460 -0.318 0.000 0.987 527 Y HN 0.487 nan 8.280 nan 0.000 0.509 528 Q N 0.153 119.847 119.800 -0.177 0.000 2.112 528 Q HA -0.244 4.095 4.340 -0.000 0.000 0.206 528 Q C 2.310 178.198 176.000 -0.187 0.000 0.987 528 Q CA 1.892 57.553 55.803 -0.237 0.000 0.858 528 Q CB -0.398 28.288 28.738 -0.085 0.000 0.905 528 Q HN 0.598 nan 8.270 nan 0.000 0.420 529 A N 0.906 123.684 122.820 -0.070 0.000 1.865 529 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 529 A C 2.081 179.637 177.584 -0.046 0.000 1.191 529 A CA 1.780 53.798 52.037 -0.031 0.000 0.623 529 A CB -1.373 17.648 19.000 0.036 0.000 0.826 529 A HN 0.710 nan 8.150 nan 0.000 0.444 530 H N -0.368 118.633 119.070 -0.116 0.000 2.353 530 H HA -0.132 4.424 4.556 -0.000 0.000 0.298 530 H C 1.882 177.086 175.328 -0.206 0.000 1.103 530 H CA 1.914 57.896 56.048 -0.110 0.000 1.293 530 H CB 0.066 29.785 29.762 -0.073 0.000 1.372 530 H HN 0.472 nan 8.280 nan 0.000 0.501 531 E N -0.148 119.844 120.200 -0.347 0.000 2.028 531 E HA -0.100 4.249 4.350 -0.000 0.000 0.190 531 E C 2.412 178.855 176.600 -0.262 0.000 0.984 531 E CA 1.781 57.958 56.400 -0.373 0.000 0.800 531 E CB -0.621 28.774 29.700 -0.508 0.000 0.758 531 E HN 0.679 nan 8.360 nan 0.000 0.448 532 T N -0.691 113.734 114.554 -0.214 0.000 2.962 532 T HA -0.042 4.308 4.350 -0.000 0.000 0.270 532 T C 1.414 176.037 174.700 -0.129 0.000 1.088 532 T CA 0.669 62.680 62.100 -0.149 0.000 1.127 532 T CB -0.108 68.688 68.868 -0.119 0.000 0.883 532 T HN -0.009 nan 8.240 nan 0.000 0.493 533 S N 2.397 118.010 115.700 -0.145 0.000 2.572 533 S HA 0.234 4.704 4.470 -0.000 0.000 0.279 533 S C -1.578 172.946 174.600 -0.126 0.000 1.341 533 S CA -1.210 56.919 58.200 -0.119 0.000 1.043 533 S CB 0.926 64.059 63.200 -0.112 0.000 0.887 533 S HN 0.147 nan 8.310 nan 0.000 0.516 534 P HA 0.151 nan 4.420 nan 0.000 0.240 534 P C -0.346 176.913 177.300 -0.067 0.000 1.190 534 P CA 0.054 63.111 63.100 -0.072 0.000 0.781 534 P CB -0.079 31.590 31.700 -0.051 0.000 0.931 535 D N 0.660 121.018 120.400 -0.071 0.000 2.450 535 D HA 0.017 4.657 4.640 -0.000 0.000 0.247 535 D C 0.803 177.065 176.300 -0.065 0.000 1.162 535 D CA 0.682 54.651 54.000 -0.052 0.000 0.879 535 D CB 0.509 41.293 40.800 -0.028 0.000 1.163 535 D HN 0.019 nan 8.370 nan 0.000 0.472 536 T N -0.864 113.667 114.554 -0.038 0.000 3.182 536 T HA 0.091 4.440 4.350 -0.000 0.000 0.277 536 T C 1.178 175.858 174.700 -0.034 0.000 1.013 536 T CA 0.244 62.332 62.100 -0.019 0.000 0.900 536 T CB -0.135 68.746 68.868 0.021 0.000 1.098 536 T HN 0.376 nan 8.240 nan 0.000 0.543 537 T N -1.956 112.600 114.554 0.005 0.000 2.971 537 T HA 0.216 4.566 4.350 -0.000 0.000 0.252 537 T C 0.617 175.410 174.700 0.155 0.000 1.022 537 T CA -0.026 62.103 62.100 0.048 0.000 0.980 537 T CB 0.010 68.906 68.868 0.046 0.000 1.044 537 T HN 0.232 nan 8.240 nan 0.000 0.501 538 T N 2.599 117.256 114.554 0.171 0.000 2.767 538 T HA 0.365 4.715 4.350 -0.000 0.000 0.288 538 T C -1.242 173.700 174.700 0.403 0.000 0.963 538 T CA -0.661 61.601 62.100 0.270 0.000 1.019 538 T CB 0.630 69.620 68.868 0.204 0.000 0.923 538 T HN 0.429 nan 8.240 nan 0.000 0.468 539 W N 5.503 126.974 121.300 0.284 0.000 2.356 539 W HA 0.278 4.938 4.660 -0.000 0.000 0.311 539 W C 0.835 177.490 176.519 0.225 0.000 1.328 539 W CA -1.710 55.830 57.345 0.324 0.000 1.251 539 W CB -0.034 29.707 29.460 0.469 0.000 1.280 539 W HN 0.756 nan 8.180 nan 0.000 0.524 540 F N 4.966 124.609 119.950 -0.510 0.000 2.184 540 F HA -0.141 4.386 4.527 -0.000 0.000 0.301 540 F C 1.880 177.140 175.800 -0.901 0.000 1.076 540 F CA 2.508 59.969 58.000 -0.897 0.000 1.295 540 F CB -0.598 37.442 39.000 -1.599 0.000 1.026 540 F HN 0.434 nan 8.300 nan 0.000 0.494 541 G N -0.464 107.397 108.800 -1.565 0.000 2.443 541 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 541 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 541 G C 1.267 175.907 174.900 -0.434 0.000 1.131 541 G CA 0.914 45.259 45.100 -1.259 0.000 0.775 541 G HN 0.361 nan 8.290 nan 0.000 0.547 542 D N 0.292 120.647 120.400 -0.075 0.000 2.277 542 D HA -0.017 4.623 4.640 -0.000 0.000 0.208 542 D C 2.172 178.445 176.300 -0.045 0.000 0.962 542 D CA 0.477 54.544 54.000 0.111 0.000 0.865 542 D CB 0.083 41.061 40.800 0.297 0.000 0.939 542 D HN 0.632 nan 8.370 nan 0.000 0.510 543 I N -3.164 117.291 120.570 -0.191 0.000 3.877 543 I HA 0.459 4.628 4.170 -0.000 0.000 0.332 543 I C 1.011 176.931 176.117 -0.329 0.000 1.525 543 I CA -0.332 60.865 61.300 -0.172 0.000 1.146 543 I CB 0.606 38.569 38.000 -0.061 0.000 1.137 543 I HN -0.247 nan 8.210 nan 0.000 0.424 544 A N 1.392 123.890 122.820 -0.535 0.000 2.415 544 A HA 0.175 4.495 4.320 -0.000 0.000 0.248 544 A C 1.100 178.504 177.584 -0.299 0.000 1.299 544 A CA -0.047 51.609 52.037 -0.636 0.000 0.899 544 A CB -0.504 17.790 19.000 -1.178 0.000 0.997 544 A HN 0.587 nan 8.150 nan 0.000 0.506 545 N N -1.240 117.349 118.700 -0.184 0.000 2.714 545 N HA -0.222 4.518 4.740 -0.000 0.000 0.250 545 N C 0.818 176.284 175.510 -0.074 0.000 1.117 545 N CA 1.843 54.835 53.050 -0.097 0.000 0.719 545 N CB -1.667 36.776 38.487 -0.075 0.000 1.081 545 N HN 1.565 nan 8.380 nan 0.000 0.557 546 G N -2.484 106.268 108.800 -0.080 0.000 2.136 546 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.242 546 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.242 546 G C 0.986 175.879 174.900 -0.011 0.000 0.989 546 G CA 1.061 46.148 45.100 -0.023 0.000 0.682 546 G HN 1.296 nan 8.290 nan 0.000 0.522 547 A N -0.833 121.952 122.820 -0.060 0.000 2.067 547 A HA 0.544 4.864 4.320 -0.000 0.000 0.217 547 A C 1.375 178.990 177.584 0.053 0.000 1.156 547 A CA 1.328 53.353 52.037 -0.021 0.000 0.683 547 A CB 0.257 19.221 19.000 -0.060 0.000 0.808 547 A HN 1.060 nan 8.150 nan 0.000 0.455 548 V N 2.933 122.870 119.914 0.038 0.000 2.439 548 V HA 0.173 4.293 4.120 -0.000 0.000 0.271 548 V C -0.167 176.104 176.094 0.295 0.000 1.040 548 V CA -0.180 62.233 62.300 0.188 0.000 1.002 548 V CB 0.550 32.446 31.823 0.123 0.000 1.000 548 V HN 0.309 nan 8.190 nan 0.000 0.477 549 K N 4.586 125.187 120.400 0.336 0.000 2.185 549 K HA 0.593 4.913 4.320 -0.000 0.000 0.240 549 K C -0.294 176.509 176.600 0.338 0.000 0.983 549 K CA -0.904 55.562 56.287 0.298 0.000 0.873 549 K CB 1.784 34.423 32.500 0.232 0.000 1.118 549 K HN 0.475 nan 8.250 nan 0.000 0.441 550 R N 0.723 121.370 120.500 0.246 0.000 2.445 550 R HA 0.487 4.827 4.340 -0.000 0.000 0.308 550 R C -1.405 174.927 176.300 0.055 0.000 0.961 550 R CA -0.611 55.577 56.100 0.147 0.000 0.862 550 R CB 1.427 31.835 30.300 0.180 0.000 1.144 550 R HN 0.374 nan 8.270 nan 0.000 0.447 551 V N 5.310 125.218 119.914 -0.011 0.000 2.623 551 V HA 0.424 4.544 4.120 -0.000 0.000 0.304 551 V C -1.267 174.820 176.094 -0.010 0.000 1.054 551 V CA -0.588 61.708 62.300 -0.007 0.000 0.882 551 V CB 2.168 33.976 31.823 -0.024 0.000 1.002 551 V HN 0.502 nan 8.190 nan 0.000 0.424 552 V N 7.977 127.891 119.914 0.000 0.000 2.407 552 V HA 0.547 4.667 4.120 -0.000 0.000 0.278 552 V C -0.283 175.826 176.094 0.026 0.000 1.037 552 V CA -0.328 61.985 62.300 0.022 0.000 0.900 552 V CB 1.348 33.186 31.823 0.024 0.000 0.983 552 V HN 0.741 nan 8.190 nan 0.000 0.459 553 I N 5.402 126.007 120.570 0.058 0.000 2.382 553 I HA 0.445 4.615 4.170 -0.000 0.000 0.285 553 I C 0.263 176.420 176.117 0.066 0.000 1.007 553 I CA -0.120 61.209 61.300 0.048 0.000 1.142 553 I CB 1.250 39.280 38.000 0.049 0.000 1.289 553 I HN 0.512 nan 8.210 nan 0.000 0.453 554 K N 3.260 123.684 120.400 0.039 0.000 2.209 554 K HA 0.403 4.723 4.320 -0.000 0.000 0.238 554 K C 0.017 176.626 176.600 0.014 0.000 1.028 554 K CA -0.933 55.376 56.287 0.036 0.000 0.935 554 K CB 0.676 33.194 32.500 0.031 0.000 1.162 554 K HN 0.472 nan 8.250 nan 0.000 0.485 555 E N -0.032 120.178 120.200 0.016 0.000 2.465 555 E HA -0.040 4.310 4.350 -0.000 0.000 0.260 555 E C 0.485 177.071 176.600 -0.023 0.000 0.980 555 E CA 1.025 57.422 56.400 -0.005 0.000 0.927 555 E CB 0.194 29.908 29.700 0.024 0.000 0.934 555 E HN 0.757 nan 8.360 nan 0.000 0.459 556 G N 3.299 112.043 108.800 -0.093 0.000 2.199 556 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.254 556 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.254 556 G C 0.143 175.032 174.900 -0.018 0.000 0.982 556 G CA 0.253 45.330 45.100 -0.040 0.000 0.632 556 G HN 0.554 nan 8.290 nan 0.000 0.529 557 Q N 0.380 120.137 119.800 -0.072 0.000 2.227 557 Q HA 0.616 4.956 4.340 -0.000 0.000 0.245 557 Q C -0.449 175.553 176.000 0.003 0.000 0.926 557 Q CA 0.066 55.867 55.803 -0.004 0.000 0.895 557 Q CB 1.395 30.135 28.738 0.004 0.000 1.230 557 Q HN 0.228 nan 8.270 nan 0.000 0.450 558 T N 1.457 116.057 114.554 0.075 0.000 2.863 558 T HA 0.504 4.853 4.350 -0.000 0.000 0.285 558 T C -1.254 173.469 174.700 0.037 0.000 1.009 558 T CA -0.613 61.562 62.100 0.124 0.000 0.989 558 T CB 1.101 70.063 68.868 0.157 0.000 1.004 558 T HN 0.220 nan 8.240 nan 0.000 0.455 559 L N 3.179 124.439 121.223 0.062 0.000 2.341 559 L HA 0.646 4.986 4.340 -0.000 0.000 0.278 559 L C -1.422 175.480 176.870 0.052 0.000 1.005 559 L CA -0.713 54.100 54.840 -0.045 0.000 0.818 559 L CB 1.214 43.111 42.059 -0.269 0.000 1.259 559 L HN 0.582 nan 8.230 nan 0.000 0.418 560 L N 6.517 127.785 121.223 0.075 0.000 2.342 560 L HA 0.558 4.898 4.340 -0.000 0.000 0.276 560 L C -0.877 176.243 176.870 0.417 0.000 0.997 560 L CA -0.326 54.691 54.840 0.295 0.000 0.838 560 L CB 1.570 43.738 42.059 0.181 0.000 1.224 560 L HN 0.482 nan 8.230 nan 0.000 0.416 561 I N 5.546 126.293 120.570 0.295 0.000 2.382 561 I HA 0.388 4.557 4.170 -0.000 0.000 0.286 561 I C -1.978 174.013 176.117 -0.210 0.000 1.002 561 I CA -1.817 59.469 61.300 -0.022 0.000 1.135 561 I CB 2.084 39.970 38.000 -0.191 0.000 1.288 561 I HN 0.342 nan 8.210 nan 0.000 0.448 562 P HA 0.133 nan 4.420 nan 0.000 0.293 562 P C -0.521 176.642 177.300 -0.228 0.000 1.298 562 P CA -0.448 62.083 63.100 -0.949 0.000 0.757 562 P CB 0.567 31.623 31.700 -1.073 0.000 1.262 563 A N -1.094 121.637 122.820 -0.149 0.000 2.440 563 A HA 0.485 4.805 4.320 -0.000 0.000 0.251 563 A C 1.285 178.931 177.584 0.104 0.000 1.089 563 A CA 0.587 52.612 52.037 -0.019 0.000 0.779 563 A CB -1.276 17.689 19.000 -0.057 0.000 1.022 563 A HN 0.842 nan 8.150 nan 0.000 0.492 564 G N 0.771 109.650 108.800 0.132 0.000 2.234 564 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.235 564 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.235 564 G C 0.008 175.015 174.900 0.177 0.000 0.997 564 G CA 0.024 45.238 45.100 0.190 0.000 0.623 564 G HN 0.760 nan 8.290 nan 0.000 0.514 565 W N 1.365 122.712 121.300 0.078 0.000 2.264 565 W HA 0.562 5.222 4.660 -0.000 0.000 0.331 565 W C 1.055 177.651 176.519 0.129 0.000 1.364 565 W CA -0.111 57.298 57.345 0.107 0.000 1.253 565 W CB 0.254 29.760 29.460 0.076 0.000 1.215 565 W HN 0.145 nan 8.180 nan 0.000 0.561 566 I N 6.092 126.799 120.570 0.227 0.000 2.365 566 I HA 0.216 4.386 4.170 -0.000 0.000 0.291 566 I C 0.308 176.593 176.117 0.279 0.000 1.004 566 I CA -0.463 60.837 61.300 0.000 0.000 1.311 566 I CB 0.524 38.427 38.000 -0.161 0.000 1.401 566 I HN 0.405 nan 8.210 nan 0.000 0.491 567 H N 4.407 123.500 119.070 0.039 0.000 3.085 567 H HA 0.797 5.353 4.556 -0.000 0.000 0.356 567 H C -1.835 173.318 175.328 -0.291 0.000 1.178 567 H CA -1.144 54.944 56.048 0.067 0.000 1.214 567 H CB 1.220 31.041 29.762 0.098 0.000 1.881 567 H HN 0.623 nan 8.280 nan 0.000 0.538 568 A N 1.863 124.461 122.820 -0.371 0.000 2.350 568 A HA 0.721 5.041 4.320 -0.000 0.000 0.318 568 A C -0.911 176.483 177.584 -0.317 0.000 1.132 568 A CA -0.702 50.984 52.037 -0.585 0.000 0.811 568 A CB 1.927 20.256 19.000 -1.119 0.000 1.313 568 A HN 0.414 nan 8.150 nan 0.000 0.454 569 V N 1.019 120.682 119.914 -0.419 0.000 2.638 569 V HA 0.478 4.597 4.120 -0.000 0.000 0.306 569 V C -1.165 174.890 176.094 -0.065 0.000 1.052 569 V CA -0.468 61.601 62.300 -0.385 0.000 0.885 569 V CB 1.493 32.945 31.823 -0.618 0.000 0.999 569 V HN 0.803 nan 8.190 nan 0.000 0.424 570 L N 4.032 125.384 121.223 0.214 0.000 2.296 570 L HA 0.698 5.037 4.340 -0.000 0.000 0.286 570 L C 0.264 177.260 176.870 0.210 0.000 1.023 570 L CA 0.480 55.543 54.840 0.371 0.000 0.812 570 L CB 1.939 44.395 42.059 0.662 0.000 1.223 570 L HN 0.731 nan 8.230 nan 0.000 0.421 571 T N 7.489 122.153 114.554 0.183 0.000 3.145 571 T HA 0.308 4.657 4.350 -0.000 0.000 0.362 571 T C -2.018 172.761 174.700 0.131 0.000 1.340 571 T CA -0.858 61.325 62.100 0.139 0.000 1.069 571 T CB 0.887 69.821 68.868 0.109 0.000 1.129 571 T HN 0.480 nan 8.240 nan 0.000 0.585 572 P HA -0.013 nan 4.420 nan 0.000 0.215 572 P C 0.273 177.615 177.300 0.068 0.000 1.157 572 P CA 0.548 63.707 63.100 0.099 0.000 0.863 572 P CB 0.270 32.024 31.700 0.091 0.000 0.787 573 V N 0.350 120.306 119.914 0.070 0.000 2.769 573 V HA 0.211 4.331 4.120 -0.000 0.000 0.312 573 V C -0.043 176.088 176.094 0.063 0.000 1.058 573 V CA -0.998 61.333 62.300 0.051 0.000 0.952 573 V CB 1.249 33.106 31.823 0.056 0.000 1.019 573 V HN -0.106 nan 8.190 nan 0.000 0.445 574 D N 2.251 122.670 120.400 0.031 0.000 2.583 574 D HA 0.174 4.814 4.640 -0.000 0.000 0.232 574 D C -0.038 176.387 176.300 0.209 0.000 1.128 574 D CA 0.824 54.875 54.000 0.085 0.000 0.859 574 D CB 0.576 41.345 40.800 -0.051 0.000 1.169 574 D HN 0.555 nan 8.370 nan 0.000 0.481 575 S N 1.116 116.975 115.700 0.266 0.000 2.569 575 S HA 0.634 5.104 4.470 -0.000 0.000 0.280 575 S C -1.016 173.640 174.600 0.092 0.000 1.111 575 S CA -0.757 57.541 58.200 0.163 0.000 0.887 575 S CB 2.063 65.338 63.200 0.125 0.000 1.095 575 S HN 0.305 nan 8.310 nan 0.000 0.476 576 L N 2.758 124.004 121.223 0.039 0.000 2.409 576 L HA 0.805 5.145 4.340 -0.000 0.000 0.272 576 L C -1.494 175.336 176.870 -0.066 0.000 0.980 576 L CA -0.361 54.451 54.840 -0.046 0.000 0.826 576 L CB 1.568 43.634 42.059 0.011 0.000 1.268 576 L HN 0.509 nan 8.230 nan 0.000 0.407 577 V N 4.843 124.643 119.914 -0.191 0.000 2.876 577 V HA 0.550 4.670 4.120 -0.000 0.000 0.312 577 V C -1.007 174.874 176.094 -0.356 0.000 1.085 577 V CA -0.532 61.628 62.300 -0.233 0.000 0.945 577 V CB 2.152 33.752 31.823 -0.372 0.000 1.017 577 V HN 0.532 nan 8.190 nan 0.000 0.428 578 F N 1.821 121.714 119.950 -0.096 0.000 2.482 578 F HA 0.866 5.393 4.527 -0.000 0.000 0.331 578 F C 0.688 176.270 175.800 -0.363 0.000 1.115 578 F CA -0.071 57.874 58.000 -0.092 0.000 0.955 578 F CB 2.330 41.355 39.000 0.042 0.000 1.136 578 F HN 0.676 nan 8.300 nan 0.000 0.452 579 G N 0.603 108.937 108.800 -0.777 0.000 2.682 579 G HA2 0.711 4.671 3.960 -0.000 0.000 0.303 579 G HA3 0.711 4.671 3.960 -0.000 0.000 0.303 579 G C -1.381 172.248 174.900 -2.118 0.000 1.341 579 G CA -0.579 43.631 45.100 -1.483 0.000 0.784 579 G HN 0.929 nan 8.290 nan 0.000 0.497 580 G N -1.019 106.716 108.800 -1.776 0.000 2.632 580 G HA2 0.519 4.479 3.960 -0.000 0.000 0.292 580 G HA3 0.519 4.479 3.960 -0.000 0.000 0.292 580 G C -1.847 173.126 174.900 0.121 0.000 1.465 580 G CA -0.865 43.871 45.100 -0.606 0.000 0.824 580 G HN 0.660 nan 8.290 nan 0.000 0.509 581 N N -0.518 118.416 118.700 0.390 0.000 2.362 581 N HA 0.807 5.547 4.740 -0.000 0.000 0.298 581 N C -0.885 174.947 175.510 0.538 0.000 1.048 581 N CA -0.616 52.662 53.050 0.379 0.000 0.858 581 N CB 1.932 40.570 38.487 0.251 0.000 1.218 581 N HN 0.613 nan 8.380 nan 0.000 0.488 582 F N -0.883 119.261 119.950 0.324 0.000 2.631 582 F HA 0.641 5.168 4.527 -0.000 0.000 0.308 582 F C -1.809 174.174 175.800 0.305 0.000 1.097 582 F CA -1.291 56.906 58.000 0.329 0.000 0.952 582 F CB 1.161 40.311 39.000 0.250 0.000 1.307 582 F HN 0.078 nan 8.300 nan 0.000 0.450 583 L N 2.597 124.026 121.223 0.343 0.000 2.325 583 L HA 0.696 5.035 4.340 -0.000 0.000 0.278 583 L C -0.874 176.177 176.870 0.301 0.000 1.023 583 L CA -0.816 54.108 54.840 0.140 0.000 0.811 583 L CB 1.858 43.839 42.059 -0.131 0.000 1.249 583 L HN 0.983 nan 8.230 nan 0.000 0.431 584 H N 0.200 119.331 119.070 0.102 0.000 3.012 584 H HA 0.352 4.908 4.556 -0.000 0.000 0.367 584 H C -0.068 175.293 175.328 0.055 0.000 1.211 584 H CA -1.040 55.092 56.048 0.141 0.000 1.139 584 H CB 1.178 31.155 29.762 0.359 0.000 1.838 584 H HN 0.231 nan 8.280 nan 0.000 0.550 585 L N 2.232 123.464 121.223 0.015 0.000 2.127 585 L HA -0.007 4.332 4.340 -0.000 0.000 0.211 585 L C 2.465 179.317 176.870 -0.030 0.000 1.089 585 L CA 2.310 57.121 54.840 -0.049 0.000 0.757 585 L CB -0.917 41.162 42.059 0.033 0.000 0.899 585 L HN 1.084 nan 8.230 nan 0.000 0.434 586 G N -1.430 107.428 108.800 0.096 0.000 2.509 586 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 586 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 586 G C 1.168 176.056 174.900 -0.020 0.000 1.124 586 G CA 0.448 45.644 45.100 0.161 0.000 0.776 586 G HN 0.386 nan 8.290 nan 0.000 0.547 587 N N -0.246 118.205 118.700 -0.416 0.000 2.275 587 N HA 0.173 4.913 4.740 -0.000 0.000 0.236 587 N C 1.358 176.733 175.510 -0.224 0.000 1.154 587 N CA -0.423 52.432 53.050 -0.325 0.000 0.866 587 N CB 0.780 38.990 38.487 -0.461 0.000 1.093 587 N HN 0.135 nan 8.380 nan 0.000 0.515 588 L N 1.088 122.207 121.223 -0.173 0.000 1.989 588 L HA -0.117 4.223 4.340 -0.000 0.000 0.211 588 L C 1.909 178.729 176.870 -0.083 0.000 1.071 588 L CA 1.969 56.738 54.840 -0.119 0.000 0.749 588 L CB -0.290 41.705 42.059 -0.108 0.000 0.890 588 L HN 0.217 nan 8.230 nan 0.000 0.431 589 E N -1.161 118.996 120.200 -0.071 0.000 2.049 589 E HA -0.327 4.023 4.350 -0.000 0.000 0.198 589 E C 2.145 178.719 176.600 -0.044 0.000 1.007 589 E CA 1.968 58.336 56.400 -0.054 0.000 0.809 589 E CB -0.305 29.371 29.700 -0.040 0.000 0.749 589 E HN 0.448 nan 8.360 nan 0.000 0.450 590 M N 1.002 120.580 119.600 -0.038 0.000 2.229 590 M HA -0.175 4.305 4.480 -0.000 0.000 0.264 590 M C 1.853 178.156 176.300 0.004 0.000 1.063 590 M CA 1.607 56.903 55.300 -0.007 0.000 1.114 590 M CB 0.021 32.614 32.600 -0.013 0.000 1.387 590 M HN -0.012 nan 8.290 nan 0.000 0.420 591 Q N -0.928 118.862 119.800 -0.018 0.000 2.050 591 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 591 Q C 1.957 177.978 176.000 0.035 0.000 0.980 591 Q CA 1.802 57.623 55.803 0.031 0.000 0.840 591 Q CB -0.224 28.549 28.738 0.059 0.000 0.898 591 Q HN 0.440 nan 8.270 nan 0.000 0.424 592 M N 0.097 119.682 119.600 -0.024 0.000 2.117 592 M HA -0.134 4.346 4.480 -0.000 0.000 0.262 592 M C 1.948 177.957 176.300 -0.485 0.000 1.065 592 M CA 1.605 56.808 55.300 -0.162 0.000 1.114 592 M CB -0.891 31.611 32.600 -0.164 0.000 1.361 592 M HN 0.138 nan 8.290 nan 0.000 0.408 593 R N -0.489 119.861 120.500 -0.250 0.000 2.091 593 R HA -0.107 4.233 4.340 -0.000 0.000 0.238 593 R C 2.268 178.545 176.300 -0.038 0.000 1.136 593 R CA 1.311 57.348 56.100 -0.105 0.000 0.959 593 R CB -0.614 29.752 30.300 0.110 0.000 0.856 593 R HN 0.202 nan 8.270 nan 0.000 0.437 594 V N -0.036 119.862 119.914 -0.026 0.000 2.427 594 V HA -0.247 3.872 4.120 -0.000 0.000 0.248 594 V C 1.852 177.891 176.094 -0.092 0.000 1.051 594 V CA 1.478 63.714 62.300 -0.106 0.000 1.048 594 V CB -0.581 31.201 31.823 -0.068 0.000 0.666 594 V HN 0.306 nan 8.190 nan 0.000 0.456 595 Y N 0.850 120.984 120.300 -0.277 0.000 2.224 595 Y HA -0.227 4.323 4.550 -0.000 0.000 0.289 595 Y C 2.664 178.490 175.900 -0.122 0.000 1.146 595 Y CA 1.750 59.657 58.100 -0.323 0.000 1.182 595 Y CB -0.365 37.837 38.460 -0.429 0.000 0.983 595 Y HN 0.414 nan 8.280 nan 0.000 0.524 596 H N -1.016 118.005 119.070 -0.080 0.000 2.326 596 H HA -0.124 4.432 4.556 -0.000 0.000 0.301 596 H C 2.246 177.477 175.328 -0.160 0.000 1.081 596 H CA 1.448 57.418 56.048 -0.130 0.000 1.334 596 H CB -0.994 28.758 29.762 -0.017 0.000 1.385 596 H HN 0.390 nan 8.280 nan 0.000 0.504 597 L N 1.525 122.742 121.223 -0.009 0.000 1.989 597 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 597 L C 2.089 178.889 176.870 -0.117 0.000 1.071 597 L CA 1.825 56.613 54.840 -0.086 0.000 0.749 597 L CB -0.657 41.267 42.059 -0.225 0.000 0.890 597 L HN 0.183 nan 8.230 nan 0.000 0.431 598 E N -0.489 119.630 120.200 -0.135 0.000 2.070 598 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 598 E C 1.916 178.340 176.600 -0.293 0.000 1.004 598 E CA 1.480 57.803 56.400 -0.128 0.000 0.805 598 E CB -0.235 29.403 29.700 -0.104 0.000 0.744 598 E HN 0.582 nan 8.360 nan 0.000 0.451 599 N N 0.501 118.967 118.700 -0.390 0.000 2.188 599 N HA -0.123 4.617 4.740 -0.000 0.000 0.184 599 N C 1.660 177.024 175.510 -0.243 0.000 1.018 599 N CA 1.158 53.970 53.050 -0.396 0.000 0.858 599 N CB -0.368 37.841 38.487 -0.463 0.000 0.989 599 N HN 0.138 nan 8.380 nan 0.000 0.426 600 A N 1.547 124.263 122.820 -0.175 0.000 1.865 600 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 600 A C 2.338 179.850 177.584 -0.119 0.000 1.191 600 A CA 1.061 53.024 52.037 -0.122 0.000 0.623 600 A CB -0.775 18.174 19.000 -0.085 0.000 0.826 600 A HN 0.206 nan 8.150 nan 0.000 0.444 601 I N -1.151 119.347 120.570 -0.120 0.000 2.226 601 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 601 I C 2.729 178.788 176.117 -0.097 0.000 1.100 601 I CA 1.695 62.933 61.300 -0.104 0.000 1.374 601 I CB -0.346 37.603 38.000 -0.085 0.000 1.057 601 I HN 0.355 nan 8.210 nan 0.000 0.413 602 R N 1.372 121.793 120.500 -0.132 0.000 2.152 602 R HA -0.163 4.177 4.340 -0.000 0.000 0.232 602 R C 2.036 178.265 176.300 -0.119 0.000 1.117 602 R CA 1.302 57.319 56.100 -0.140 0.000 0.981 602 R CB 0.047 30.166 30.300 -0.301 0.000 0.870 602 R HN 0.339 nan 8.270 nan 0.000 0.451 603 K N -0.648 119.679 120.400 -0.123 0.000 2.305 603 K HA -0.093 4.227 4.320 -0.000 0.000 0.199 603 K C 1.597 178.150 176.600 -0.078 0.000 1.047 603 K CA 0.817 57.046 56.287 -0.097 0.000 0.976 603 K CB 0.225 32.667 32.500 -0.098 0.000 0.765 603 K HN 0.083 nan 8.250 nan 0.000 0.474 604 E N 0.830 120.982 120.200 -0.080 0.000 2.140 604 E HA -0.003 4.347 4.350 -0.000 0.000 0.191 604 E C -0.075 176.484 176.600 -0.067 0.000 0.973 604 E CA 0.530 56.888 56.400 -0.072 0.000 0.829 604 E CB 0.358 30.011 29.700 -0.078 0.000 0.781 604 E HN 0.226 nan 8.360 nan 0.000 0.466 605 I N -2.236 118.292 120.570 -0.070 0.000 2.545 605 I HA 0.427 4.596 4.170 -0.000 0.000 0.292 605 I C -0.466 175.616 176.117 -0.058 0.000 1.040 605 I CA -0.883 60.377 61.300 -0.066 0.000 1.068 605 I CB 2.091 40.044 38.000 -0.077 0.000 1.251 605 I HN -0.318 nan 8.210 nan 0.000 0.424 606 R N 3.362 123.830 120.500 -0.054 0.000 3.641 606 R HA 0.098 4.438 4.340 -0.000 0.000 0.189 606 R C 0.919 177.184 176.300 -0.059 0.000 1.706 606 R CA 0.444 56.514 56.100 -0.049 0.000 1.311 606 R CB -0.123 30.151 30.300 -0.043 0.000 1.330 606 R HN 1.008 nan 8.270 nan 0.000 0.727 607 S N 1.347 117.016 115.700 -0.050 0.000 2.355 607 S HA -0.157 4.312 4.470 -0.000 0.000 0.210 607 S C 0.903 175.447 174.600 -0.093 0.000 1.035 607 S CA 0.644 58.805 58.200 -0.065 0.000 1.011 607 S CB 0.083 63.278 63.200 -0.008 0.000 1.000 607 S HN 0.582 nan 8.310 nan 0.000 0.423 608 E N 0.543 120.725 120.200 -0.030 0.000 4.586 608 E HA -0.290 4.060 4.350 -0.000 0.000 0.271 608 E C 1.381 177.899 176.600 -0.137 0.000 0.767 608 E CA 2.021 58.407 56.400 -0.022 0.000 1.491 608 E CB -1.614 28.069 29.700 -0.027 0.000 1.758 608 E HN 0.980 nan 8.360 nan 0.000 0.398 609 E N 1.564 121.549 120.200 -0.359 0.000 2.276 609 E HA 0.110 4.460 4.350 -0.000 0.000 0.193 609 E C 0.638 177.067 176.600 -0.285 0.000 0.983 609 E CA -0.011 55.986 56.400 -0.671 0.000 0.861 609 E CB -0.038 29.233 29.700 -0.714 0.000 0.817 609 E HN 0.077 nan 8.360 nan 0.000 0.485 610 K N 1.349 121.633 120.400 -0.193 0.000 2.484 610 K HA 0.025 4.345 4.320 -0.000 0.000 0.280 610 K C -0.676 175.748 176.600 -0.293 0.000 1.013 610 K CA -0.075 56.063 56.287 -0.250 0.000 1.029 610 K CB 0.263 32.603 32.500 -0.266 0.000 0.902 610 K HN 0.039 nan 8.250 nan 0.000 0.481 611 F N 4.537 124.203 119.950 -0.474 0.000 2.408 611 F HA 0.314 4.841 4.527 -0.000 0.000 0.344 611 F C -0.964 174.476 175.800 -0.600 0.000 1.112 611 F CA -0.445 57.313 58.000 -0.403 0.000 1.096 611 F CB 0.495 39.287 39.000 -0.346 0.000 1.129 611 F HN 0.390 nan 8.300 nan 0.000 0.486 612 Y N 4.598 124.353 120.300 -0.908 0.000 2.621 612 Y HA 0.344 4.894 4.550 -0.000 0.000 0.334 612 Y C -0.641 174.731 175.900 -0.881 0.000 1.074 612 Y CA -1.215 56.532 58.100 -0.588 0.000 1.149 612 Y CB 0.904 39.235 38.460 -0.215 0.000 1.302 612 Y HN 0.563 nan 8.280 nan 0.000 0.501 613 F N 4.622 124.511 119.950 -0.103 0.000 2.557 613 F HA 0.186 4.713 4.527 -0.000 0.000 0.384 613 F C -2.113 173.698 175.800 0.018 0.000 1.057 613 F CA -1.793 56.262 58.000 0.092 0.000 1.169 613 F CB 0.278 39.580 39.000 0.503 0.000 1.070 613 F HN 0.180 nan 8.300 nan 0.000 0.554 614 P HA -0.017 nan 4.420 nan 0.000 0.264 614 P C -0.543 176.878 177.300 0.203 0.000 1.193 614 P CA 0.408 63.476 63.100 -0.053 0.000 0.763 614 P CB 0.351 31.973 31.700 -0.131 0.000 0.810 615 N N 1.136 119.956 118.700 0.200 0.000 2.721 615 N HA -0.243 4.497 4.740 -0.000 0.000 0.249 615 N C 0.426 176.156 175.510 0.367 0.000 1.072 615 N CA 0.415 53.613 53.050 0.246 0.000 0.710 615 N CB -1.900 36.707 38.487 0.200 0.000 0.993 615 N HN 0.425 nan 8.380 nan 0.000 0.547 616 F N 0.954 121.058 119.950 0.256 0.000 2.043 616 F HA -0.241 4.286 4.527 -0.000 0.000 0.297 616 F C 2.098 177.996 175.800 0.163 0.000 1.121 616 F CA 2.218 60.325 58.000 0.178 0.000 1.199 616 F CB 0.014 38.972 39.000 -0.069 0.000 0.968 616 F HN 0.264 nan 8.300 nan 0.000 0.478 617 E N -0.092 120.161 120.200 0.089 0.000 2.047 617 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 617 E C 2.085 178.897 176.600 0.353 0.000 0.987 617 E CA 1.218 57.560 56.400 -0.097 0.000 0.799 617 E CB -0.462 28.960 29.700 -0.463 0.000 0.752 617 E HN 0.394 nan 8.360 nan 0.000 0.449 618 L N 1.506 122.954 121.223 0.376 0.000 2.013 618 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 618 L C 2.239 179.364 176.870 0.425 0.000 1.073 618 L CA 1.562 56.669 54.840 0.446 0.000 0.753 618 L CB -0.580 41.669 42.059 0.318 0.000 0.890 618 L HN 0.197 nan 8.230 nan 0.000 0.432 619 L N -1.393 120.034 121.223 0.340 0.000 2.079 619 L HA -0.292 4.047 4.340 -0.000 0.000 0.210 619 L C 2.314 179.240 176.870 0.093 0.000 1.081 619 L CA 1.790 56.787 54.840 0.262 0.000 0.752 619 L CB -0.438 41.723 42.059 0.171 0.000 0.896 619 L HN 0.441 nan 8.230 nan 0.000 0.433 620 H N -2.094 117.001 119.070 0.041 0.000 2.436 620 H HA -0.080 4.476 4.556 -0.000 0.000 0.294 620 H C 1.636 176.977 175.328 0.022 0.000 1.048 620 H CA 2.059 58.085 56.048 -0.037 0.000 1.353 620 H CB -0.229 29.448 29.762 -0.141 0.000 1.414 620 H HN 0.455 nan 8.280 nan 0.000 0.536 621 W N 0.017 121.497 121.300 0.300 0.000 2.379 621 W HA -0.176 4.483 4.660 -0.000 0.000 0.307 621 W C 2.021 178.620 176.519 0.134 0.000 1.200 621 W CA 0.427 57.898 57.345 0.210 0.000 1.297 621 W CB -0.127 29.450 29.460 0.195 0.000 1.140 621 W HN 0.119 nan 8.180 nan 0.000 0.507 622 M N -0.997 118.807 119.600 0.340 0.000 2.080 622 M HA -0.232 4.247 4.480 -0.000 0.000 0.260 622 M C 1.909 178.267 176.300 0.095 0.000 1.068 622 M CA 1.489 56.883 55.300 0.156 0.000 1.109 622 M CB -1.960 30.674 32.600 0.057 0.000 1.342 622 M HN 0.140 nan 8.290 nan 0.000 0.405 623 Y N 0.553 120.857 120.300 0.006 0.000 2.089 623 Y HA -0.322 4.228 4.550 -0.000 0.000 0.282 623 Y C 2.718 178.614 175.900 -0.006 0.000 1.139 623 Y CA 2.426 60.506 58.100 -0.034 0.000 1.123 623 Y CB -0.340 38.061 38.460 -0.098 0.000 0.980 623 Y HN 0.186 nan 8.280 nan 0.000 0.493 624 M N 0.471 120.181 119.600 0.183 0.000 2.106 624 M HA -0.246 4.234 4.480 -0.000 0.000 0.259 624 M C 2.213 178.548 176.300 0.060 0.000 1.068 624 M CA 1.838 57.201 55.300 0.104 0.000 1.100 624 M CB -0.538 32.101 32.600 0.065 0.000 1.351 624 M HN 0.193 nan 8.290 nan 0.000 0.404 625 R N -0.629 119.921 120.500 0.084 0.000 2.062 625 R HA -0.061 4.279 4.340 -0.000 0.000 0.226 625 R C 1.356 177.649 176.300 -0.011 0.000 1.125 625 R CA 1.628 57.767 56.100 0.065 0.000 0.966 625 R CB -0.312 30.053 30.300 0.108 0.000 0.861 625 R HN 0.418 nan 8.270 nan 0.000 0.433 626 N N -0.262 118.398 118.700 -0.067 0.000 2.446 626 N HA -0.025 4.714 4.740 -0.000 0.000 0.179 626 N C 1.258 176.659 175.510 -0.182 0.000 1.054 626 N CA 0.629 53.609 53.050 -0.117 0.000 0.905 626 N CB 0.525 38.926 38.487 -0.143 0.000 0.973 626 N HN 0.069 nan 8.380 nan 0.000 0.448 627 V N -0.648 119.105 119.914 -0.268 0.000 3.671 627 V HA 0.105 4.225 4.120 -0.000 0.000 0.202 627 V C 1.814 177.807 176.094 -0.168 0.000 1.188 627 V CA -0.090 62.011 62.300 -0.333 0.000 1.325 627 V CB -0.492 30.844 31.823 -0.812 0.000 1.470 627 V HN -0.062 nan 8.190 nan 0.000 0.520 628 L N 0.388 121.534 121.223 -0.128 0.000 1.971 628 L HA -0.173 4.166 4.340 -0.000 0.000 0.215 628 L C 2.377 179.265 176.870 0.030 0.000 1.072 628 L CA 1.800 56.647 54.840 0.011 0.000 0.758 628 L CB -1.275 40.829 42.059 0.074 0.000 0.889 628 L HN 0.269 nan 8.230 nan 0.000 0.433 629 L N -0.389 120.847 121.223 0.023 0.000 2.021 629 L HA -0.304 4.036 4.340 -0.000 0.000 0.215 629 L C 2.621 179.511 176.870 0.033 0.000 1.074 629 L CA 2.118 56.983 54.840 0.041 0.000 0.760 629 L CB -0.329 41.755 42.059 0.042 0.000 0.889 629 L HN 0.530 nan 8.230 nan 0.000 0.433 630 E N -0.448 119.754 120.200 0.005 0.000 2.106 630 E HA -0.235 4.114 4.350 -0.000 0.000 0.192 630 E C 2.062 178.667 176.600 0.009 0.000 0.984 630 E CA 0.812 57.211 56.400 -0.001 0.000 0.806 630 E CB 0.175 29.860 29.700 -0.025 0.000 0.750 630 E HN 0.336 nan 8.360 nan 0.000 0.458 631 K N 0.579 120.988 120.400 0.014 0.000 2.057 631 K HA -0.123 4.196 4.320 -0.000 0.000 0.207 631 K C 2.230 178.861 176.600 0.052 0.000 1.049 631 K CA 1.082 57.389 56.287 0.032 0.000 0.931 631 K CB -0.336 32.193 32.500 0.048 0.000 0.714 631 K HN 0.334 nan 8.250 nan 0.000 0.440 632 I N 0.888 121.506 120.570 0.080 0.000 2.252 632 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 632 I C 2.140 178.292 176.117 0.058 0.000 1.102 632 I CA 1.234 62.597 61.300 0.106 0.000 1.385 632 I CB -0.589 37.516 38.000 0.175 0.000 1.064 632 I HN 0.131 nan 8.210 nan 0.000 0.414 633 T N 0.233 114.815 114.554 0.047 0.000 2.674 633 T HA -0.195 4.155 4.350 -0.000 0.000 0.265 633 T C 1.728 176.436 174.700 0.013 0.000 1.039 633 T CA 1.457 63.574 62.100 0.029 0.000 1.150 633 T CB -0.359 68.524 68.868 0.024 0.000 0.864 633 T HN 0.392 nan 8.240 nan 0.000 0.427 634 E N 1.190 121.396 120.200 0.010 0.000 2.049 634 E HA -0.172 4.178 4.350 -0.000 0.000 0.198 634 E C 2.594 179.191 176.600 -0.005 0.000 1.007 634 E CA 1.198 57.599 56.400 0.001 0.000 0.809 634 E CB -0.313 29.388 29.700 0.001 0.000 0.749 634 E HN 0.502 nan 8.360 nan 0.000 0.450 635 A N 1.617 124.434 122.820 -0.005 0.000 1.908 635 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 635 A C 1.884 179.447 177.584 -0.035 0.000 1.181 635 A CA 1.593 53.616 52.037 -0.024 0.000 0.627 635 A CB -0.504 18.477 19.000 -0.033 0.000 0.818 635 A HN 0.146 nan 8.150 nan 0.000 0.445 636 N N -0.174 118.512 118.700 -0.024 0.000 2.223 636 N HA -0.150 4.590 4.740 -0.000 0.000 0.185 636 N C 1.884 177.382 175.510 -0.020 0.000 1.016 636 N CA 1.509 54.543 53.050 -0.026 0.000 0.863 636 N CB -0.396 38.087 38.487 -0.006 0.000 0.983 636 N HN 0.687 nan 8.380 nan 0.000 0.429 637 Q N 0.231 120.024 119.800 -0.013 0.000 2.083 637 Q HA -0.109 4.231 4.340 -0.000 0.000 0.198 637 Q C 0.948 176.939 176.000 -0.015 0.000 0.969 637 Q CA 1.101 56.898 55.803 -0.011 0.000 0.838 637 Q CB -0.008 28.726 28.738 -0.007 0.000 0.900 637 Q HN 0.640 nan 8.270 nan 0.000 0.436 638 E N -0.666 119.523 120.200 -0.018 0.000 2.419 638 E HA 0.215 4.565 4.350 -0.000 0.000 0.190 638 E C 0.396 176.980 176.600 -0.027 0.000 1.040 638 E CA 0.231 56.619 56.400 -0.020 0.000 0.900 638 E CB 0.324 30.014 29.700 -0.018 0.000 1.054 638 E HN 0.254 nan 8.360 nan 0.000 0.462 639 G N 1.144 109.925 108.800 -0.033 0.000 2.273 639 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.280 639 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.280 639 G C -0.073 174.794 174.900 -0.054 0.000 1.047 639 G CA 0.502 45.577 45.100 -0.042 0.000 0.869 639 G HN 0.319 nan 8.290 nan 0.000 0.502 640 S N -0.013 115.651 115.700 -0.060 0.000 2.537 640 S HA 0.392 4.862 4.470 -0.000 0.000 0.275 640 S C 0.136 174.669 174.600 -0.112 0.000 1.272 640 S CA -0.348 57.810 58.200 -0.070 0.000 1.050 640 S CB 1.580 64.748 63.200 -0.055 0.000 0.961 640 S HN 0.421 nan 8.310 nan 0.000 0.496 641 D N 2.748 123.078 120.400 -0.118 0.000 2.374 641 D HA 0.136 4.776 4.640 -0.000 0.000 0.240 641 D C 0.909 177.101 176.300 -0.180 0.000 1.229 641 D CA -0.118 53.778 54.000 -0.173 0.000 0.895 641 D CB 0.330 41.050 40.800 -0.133 0.000 1.046 641 D HN 0.457 nan 8.370 nan 0.000 0.498 642 M N 2.571 122.014 119.600 -0.261 0.000 2.530 642 M HA -0.155 4.325 4.480 -0.000 0.000 0.261 642 M C 1.491 177.725 176.300 -0.110 0.000 1.067 642 M CA 1.018 56.211 55.300 -0.178 0.000 1.071 642 M CB 0.050 32.535 32.600 -0.192 0.000 1.405 642 M HN 0.236 nan 8.290 nan 0.000 0.478 643 R N 0.075 120.485 120.500 -0.150 0.000 2.189 643 R HA -0.054 4.286 4.340 -0.000 0.000 0.218 643 R C 1.951 178.240 176.300 -0.017 0.000 1.074 643 R CA 0.743 56.815 56.100 -0.048 0.000 0.991 643 R CB -0.203 30.068 30.300 -0.049 0.000 0.883 643 R HN 0.429 nan 8.270 nan 0.000 0.457 644 E N 0.553 120.732 120.200 -0.036 0.000 2.047 644 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 644 E C 1.231 177.830 176.600 -0.003 0.000 0.987 644 E CA 1.046 57.434 56.400 -0.020 0.000 0.799 644 E CB 0.121 29.804 29.700 -0.029 0.000 0.752 644 E HN 0.344 nan 8.360 nan 0.000 0.449 645 Q N -0.767 119.033 119.800 0.000 0.000 2.126 645 Q HA 0.176 4.516 4.340 -0.000 0.000 0.233 645 Q C 0.167 176.185 176.000 0.031 0.000 0.788 645 Q CA 0.153 55.964 55.803 0.013 0.000 0.968 645 Q CB 1.407 30.149 28.738 0.006 0.000 1.163 645 Q HN 0.266 nan 8.270 nan 0.000 0.471 646 E N 0.361 120.585 120.200 0.039 0.000 3.306 646 E HA 0.142 4.491 4.350 -0.000 0.000 0.197 646 E C 0.778 177.452 176.600 0.122 0.000 0.980 646 E CA -0.072 56.373 56.400 0.074 0.000 1.259 646 E CB 0.823 30.565 29.700 0.071 0.000 1.112 646 E HN 0.053 nan 8.360 nan 0.000 0.458 647 K N 1.560 122.026 120.400 0.110 0.000 2.009 647 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 647 K C 1.716 178.427 176.600 0.185 0.000 1.049 647 K CA 2.383 58.768 56.287 0.164 0.000 0.929 647 K CB 0.013 32.582 32.500 0.116 0.000 0.714 647 K HN 0.211 nan 8.250 nan 0.000 0.440 648 N N 0.553 119.330 118.700 0.128 0.000 2.137 648 N HA -0.212 4.527 4.740 -0.000 0.000 0.190 648 N C 1.559 177.141 175.510 0.120 0.000 1.017 648 N CA 1.671 54.787 53.050 0.110 0.000 0.859 648 N CB -0.272 38.273 38.487 0.097 0.000 1.002 648 N HN 0.128 nan 8.380 nan 0.000 0.428 649 I N -0.234 120.424 120.570 0.147 0.000 2.286 649 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 649 I C 2.224 178.454 176.117 0.188 0.000 1.104 649 I CA 0.818 62.212 61.300 0.156 0.000 1.397 649 I CB -1.510 36.583 38.000 0.154 0.000 1.072 649 I HN 0.485 nan 8.210 nan 0.000 0.417 650 W N 2.286 123.603 121.300 0.028 0.000 2.353 650 W HA -0.310 4.349 4.660 -0.000 0.000 0.319 650 W C 2.635 179.162 176.519 0.014 0.000 1.207 650 W CA 2.529 59.885 57.345 0.018 0.000 1.291 650 W CB -0.323 29.145 29.460 0.014 0.000 1.159 650 W HN 0.288 nan 8.180 nan 0.000 0.478 651 T N -0.538 113.971 114.554 -0.075 0.000 2.881 651 T HA -0.103 4.247 4.350 -0.000 0.000 0.270 651 T C 1.916 176.501 174.700 -0.192 0.000 1.068 651 T CA 1.833 63.802 62.100 -0.220 0.000 1.131 651 T CB -0.551 68.290 68.868 -0.045 0.000 0.871 651 T HN 0.135 nan 8.240 nan 0.000 0.479 652 A N 1.189 123.955 122.820 -0.091 0.000 1.930 652 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 652 A C 2.728 180.238 177.584 -0.122 0.000 1.175 652 A CA 1.795 53.786 52.037 -0.076 0.000 0.627 652 A CB -0.970 18.029 19.000 -0.001 0.000 0.815 652 A HN 0.577 nan 8.150 nan 0.000 0.443 653 S N -0.192 115.419 115.700 -0.149 0.000 2.368 653 S HA -0.202 4.268 4.470 -0.000 0.000 0.225 653 S C 2.095 176.520 174.600 -0.292 0.000 1.030 653 S CA 1.584 59.677 58.200 -0.178 0.000 0.999 653 S CB -0.309 62.806 63.200 -0.141 0.000 0.844 653 S HN 0.718 nan 8.310 nan 0.000 0.459 654 Q N 0.466 119.998 119.800 -0.447 0.000 2.084 654 Q HA -0.007 4.332 4.340 -0.000 0.000 0.202 654 Q C 2.139 177.975 176.000 -0.273 0.000 0.978 654 Q CA 1.243 56.794 55.803 -0.420 0.000 0.844 654 Q CB -0.331 28.092 28.738 -0.525 0.000 0.898 654 Q HN 0.521 nan 8.270 nan 0.000 0.426 655 I N 0.176 120.606 120.570 -0.234 0.000 2.202 655 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 655 I C 2.521 178.508 176.117 -0.217 0.000 1.091 655 I CA 1.014 62.203 61.300 -0.186 0.000 1.368 655 I CB -0.218 37.696 38.000 -0.143 0.000 1.058 655 I HN 0.301 nan 8.210 nan 0.000 0.410 656 M N 0.819 120.286 119.600 -0.221 0.000 2.159 656 M HA -0.248 4.232 4.480 -0.000 0.000 0.263 656 M C 2.378 178.462 176.300 -0.361 0.000 1.063 656 M CA 1.764 56.899 55.300 -0.276 0.000 1.110 656 M CB -0.111 32.379 32.600 -0.184 0.000 1.374 656 M HN 0.071 nan 8.290 nan 0.000 0.411 657 K N 0.065 120.297 120.400 -0.281 0.000 2.057 657 K HA -0.137 4.182 4.320 -0.000 0.000 0.207 657 K C 1.777 178.214 176.600 -0.272 0.000 1.049 657 K CA 1.424 57.553 56.287 -0.263 0.000 0.931 657 K CB -0.169 32.219 32.500 -0.188 0.000 0.714 657 K HN 0.389 nan 8.250 nan 0.000 0.440 658 A N 1.210 123.884 122.820 -0.242 0.000 1.877 658 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 658 A C 2.008 179.432 177.584 -0.266 0.000 1.186 658 A CA 2.007 53.923 52.037 -0.202 0.000 0.620 658 A CB -0.651 18.257 19.000 -0.154 0.000 0.822 658 A HN 0.529 nan 8.150 nan 0.000 0.443 659 E N -0.234 119.742 120.200 -0.374 0.000 2.077 659 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 659 E C 1.937 177.946 176.600 -0.987 0.000 0.989 659 E CA 1.748 57.818 56.400 -0.550 0.000 0.800 659 E CB -0.361 28.987 29.700 -0.588 0.000 0.746 659 E HN 0.619 nan 8.360 nan 0.000 0.452 660 M N 0.242 119.224 119.600 -1.030 0.000 2.296 660 M HA -0.109 4.371 4.480 -0.000 0.000 0.265 660 M C 1.883 178.003 176.300 -0.300 0.000 1.064 660 M CA 1.050 55.772 55.300 -0.963 0.000 1.109 660 M CB -0.039 32.003 32.600 -0.930 0.000 1.396 660 M HN 0.054 nan 8.290 nan 0.000 0.430 661 E N 0.310 120.377 120.200 -0.221 0.000 2.031 661 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 661 E C 1.960 178.574 176.600 0.023 0.000 0.994 661 E CA 1.189 57.564 56.400 -0.042 0.000 0.800 661 E CB -0.470 29.195 29.700 -0.058 0.000 0.752 661 E HN 0.504 nan 8.360 nan 0.000 0.447 662 R N 0.073 120.550 120.500 -0.038 0.000 2.159 662 R HA -0.167 4.173 4.340 -0.000 0.000 0.237 662 R C 1.984 178.437 176.300 0.254 0.000 1.131 662 R CA 1.372 57.508 56.100 0.061 0.000 0.982 662 R CB -0.105 30.206 30.300 0.018 0.000 0.868 662 R HN 0.176 nan 8.270 nan 0.000 0.453 663 W N 0.079 121.436 121.300 0.095 0.000 2.409 663 W HA -0.036 4.624 4.660 -0.000 0.000 0.299 663 W C 2.064 178.701 176.519 0.197 0.000 1.203 663 W CA 0.261 57.704 57.345 0.163 0.000 1.298 663 W CB -0.785 28.800 29.460 0.209 0.000 1.127 663 W HN 0.081 nan 8.180 nan 0.000 0.528 664 M N 0.027 119.893 119.600 0.443 0.000 2.086 664 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 664 M C 1.702 178.124 176.300 0.203 0.000 1.067 664 M CA 1.969 57.466 55.300 0.327 0.000 1.116 664 M CB -1.530 31.247 32.600 0.294 0.000 1.348 664 M HN -0.030 nan 8.290 nan 0.000 0.407 665 D N 0.166 120.665 120.400 0.165 0.000 2.123 665 D HA -0.194 4.446 4.640 -0.000 0.000 0.196 665 D C 2.097 178.460 176.300 0.106 0.000 0.992 665 D CA 1.284 55.350 54.000 0.110 0.000 0.833 665 D CB -0.128 40.720 40.800 0.081 0.000 0.954 665 D HN 0.212 nan 8.370 nan 0.000 0.455 666 R N 0.339 120.922 120.500 0.138 0.000 2.115 666 R HA -0.130 4.210 4.340 -0.000 0.000 0.230 666 R C 2.110 178.467 176.300 0.094 0.000 1.111 666 R CA 1.454 57.620 56.100 0.110 0.000 0.976 666 R CB -0.185 30.197 30.300 0.136 0.000 0.870 666 R HN 0.270 nan 8.270 nan 0.000 0.445 667 E N 0.224 120.498 120.200 0.123 0.000 2.152 667 E HA -0.086 4.264 4.350 -0.000 0.000 0.192 667 E C 1.930 178.568 176.600 0.064 0.000 0.983 667 E CA 0.640 57.095 56.400 0.093 0.000 0.818 667 E CB 0.098 29.869 29.700 0.119 0.000 0.758 667 E HN 0.374 nan 8.360 nan 0.000 0.467 668 L N -0.181 121.083 121.223 0.069 0.000 2.341 668 L HA 0.028 4.368 4.340 -0.000 0.000 0.214 668 L C 2.343 179.235 176.870 0.037 0.000 1.115 668 L CA 0.565 55.435 54.840 0.049 0.000 0.820 668 L CB -0.087 42.003 42.059 0.053 0.000 0.944 668 L HN 0.022 nan 8.230 nan 0.000 0.452 669 R N -0.278 120.246 120.500 0.039 0.000 2.156 669 R HA 0.157 4.497 4.340 -0.000 0.000 0.207 669 R C 1.554 177.866 176.300 0.020 0.000 1.040 669 R CA 0.602 56.719 56.100 0.027 0.000 1.013 669 R CB 0.297 30.613 30.300 0.027 0.000 0.931 669 R HN 0.276 nan 8.270 nan 0.000 0.465 670 L N -0.879 120.358 121.223 0.023 0.000 2.920 670 L HA 0.382 4.722 4.340 -0.000 0.000 0.257 670 L C 0.493 177.371 176.870 0.013 0.000 1.150 670 L CA -0.110 54.739 54.840 0.014 0.000 0.959 670 L CB 0.907 42.973 42.059 0.010 0.000 1.321 670 L HN 0.261 nan 8.230 nan 0.000 0.555 671 G N 1.270 110.081 108.800 0.019 0.000 2.746 671 G HA2 -0.148 3.811 3.960 -0.000 0.000 0.685 671 G HA3 -0.148 3.811 3.960 -0.000 0.000 0.685 671 G C -2.963 171.948 174.900 0.017 0.000 1.350 671 G CA -1.129 43.980 45.100 0.015 0.000 0.837 671 G HN -0.059 nan 8.290 nan 0.000 0.564 672 P HA 0.401 nan 4.420 nan 0.000 0.271 672 P C 0.241 177.543 177.300 0.004 0.000 1.216 672 P CA -0.206 62.900 63.100 0.011 0.000 0.776 672 P CB 0.724 32.423 31.700 -0.000 0.000 0.881 673 E N 1.787 121.988 120.200 0.003 0.000 2.492 673 E HA -0.103 4.247 4.350 -0.000 0.000 0.266 673 E C 1.254 177.851 176.600 -0.005 0.000 1.047 673 E CA 0.573 56.968 56.400 -0.007 0.000 0.968 673 E CB 0.250 29.942 29.700 -0.013 0.000 0.960 673 E HN 0.275 nan 8.360 nan 0.000 0.452 674 K N 1.840 122.236 120.400 -0.007 0.000 2.063 674 K HA -0.222 4.097 4.320 -0.000 0.000 0.208 674 K C 1.391 177.992 176.600 0.001 0.000 1.048 674 K CA 1.962 58.247 56.287 -0.004 0.000 0.928 674 K CB -0.247 32.251 32.500 -0.004 0.000 0.713 674 K HN 0.544 nan 8.250 nan 0.000 0.442 675 N N 0.487 119.190 118.700 0.004 0.000 2.063 675 N HA -0.067 4.673 4.740 -0.000 0.000 0.192 675 N C 1.221 176.741 175.510 0.017 0.000 1.071 675 N CA 0.820 53.877 53.050 0.013 0.000 0.858 675 N CB -0.313 38.185 38.487 0.019 0.000 1.050 675 N HN 0.149 nan 8.380 nan 0.000 0.434 676 A N 0.213 123.047 122.820 0.023 0.000 5.277 676 A HA -0.337 3.983 4.320 -0.000 0.000 0.304 676 A C 1.020 178.625 177.584 0.035 0.000 1.976 676 A CA 1.937 53.988 52.037 0.023 0.000 0.715 676 A CB -1.576 17.425 19.000 0.002 0.000 1.275 676 A HN 0.846 nan 8.150 nan 0.000 0.367 677 I N -4.118 116.464 120.570 0.019 0.000 2.663 677 I HA -0.159 4.011 4.170 -0.000 0.000 0.264 677 I C 0.192 176.314 176.117 0.007 0.000 0.445 677 I CA 0.777 62.093 61.300 0.026 0.000 0.725 677 I CB -1.106 36.931 38.000 0.062 0.000 4.108 677 I HN 0.724 nan 8.210 nan 0.000 1.109 678 L N 3.854 125.062 121.223 -0.024 0.000 2.305 678 L HA 0.488 4.828 4.340 -0.000 0.000 0.284 678 L C -2.181 174.611 176.870 -0.131 0.000 1.013 678 L CA -1.143 53.641 54.840 -0.092 0.000 0.819 678 L CB 1.845 43.798 42.059 -0.176 0.000 1.227 678 L HN -0.237 nan 8.230 nan 0.000 0.417 679 P HA 0.111 nan 4.420 nan 0.000 0.268 679 P C 0.717 177.930 177.300 -0.145 0.000 1.204 679 P CA -0.088 62.953 63.100 -0.098 0.000 0.768 679 P CB 0.681 32.339 31.700 -0.070 0.000 0.842 680 T N 0.431 114.920 114.554 -0.108 0.000 2.822 680 T HA -0.217 4.133 4.350 -0.000 0.000 0.270 680 T C 1.336 175.972 174.700 -0.107 0.000 1.064 680 T CA 1.930 63.965 62.100 -0.109 0.000 1.131 680 T CB -0.562 68.277 68.868 -0.048 0.000 0.858 680 T HN 0.586 nan 8.240 nan 0.000 0.483 681 D N 1.248 121.598 120.400 -0.083 0.000 2.077 681 D HA -0.122 4.518 4.640 -0.000 0.000 0.193 681 D C 1.762 178.011 176.300 -0.086 0.000 0.989 681 D CA 1.290 55.252 54.000 -0.063 0.000 0.831 681 D CB -0.311 40.464 40.800 -0.042 0.000 0.979 681 D HN 0.131 nan 8.370 nan 0.000 0.449 682 D N -0.122 120.214 120.400 -0.106 0.000 2.133 682 D HA -0.146 4.494 4.640 -0.000 0.000 0.195 682 D C 2.065 178.251 176.300 -0.190 0.000 0.997 682 D CA 0.964 54.895 54.000 -0.114 0.000 0.840 682 D CB -0.107 40.629 40.800 -0.107 0.000 0.947 682 D HN 0.327 nan 8.370 nan 0.000 0.452 683 K N 0.204 120.383 120.400 -0.368 0.000 2.009 683 K HA -0.158 4.162 4.320 -0.000 0.000 0.210 683 K C 1.981 178.423 176.600 -0.263 0.000 1.049 683 K CA 1.110 56.979 56.287 -0.696 0.000 0.929 683 K CB -0.313 31.601 32.500 -0.977 0.000 0.714 683 K HN 0.193 nan 8.250 nan 0.000 0.440 684 N N 0.886 119.511 118.700 -0.124 0.000 2.223 684 N HA -0.138 4.601 4.740 -0.000 0.000 0.185 684 N C 1.353 176.880 175.510 0.029 0.000 1.016 684 N CA 0.785 53.838 53.050 0.004 0.000 0.863 684 N CB 0.163 38.653 38.487 0.004 0.000 0.983 684 N HN 0.139 nan 8.380 nan 0.000 0.429 685 K N 0.119 120.519 120.400 0.000 0.000 2.486 685 K HA 0.050 4.370 4.320 -0.000 0.000 0.194 685 K C 1.455 178.087 176.600 0.053 0.000 1.033 685 K CA 0.289 56.589 56.287 0.022 0.000 1.004 685 K CB 0.347 32.850 32.500 0.004 0.000 0.798 685 K HN 0.285 nan 8.250 nan 0.000 0.495 686 I N -0.058 120.561 120.570 0.082 0.000 2.810 686 I HA -0.091 4.079 4.170 -0.000 0.000 0.262 686 I C 1.822 178.067 176.117 0.213 0.000 1.131 686 I CA 0.302 61.700 61.300 0.164 0.000 1.453 686 I CB 0.151 38.308 38.000 0.261 0.000 1.161 686 I HN 0.108 nan 8.210 nan 0.000 0.444 687 M N 0.164 119.921 119.600 0.262 0.000 2.700 687 M HA -0.021 4.459 4.480 -0.000 0.000 0.249 687 M C 1.842 178.223 176.300 0.135 0.000 1.082 687 M CA 1.559 57.004 55.300 0.242 0.000 1.077 687 M CB -0.467 32.312 32.600 0.298 0.000 1.477 687 M HN 0.234 nan 8.290 nan 0.000 0.529 688 I N -2.042 118.593 120.570 0.108 0.000 3.445 688 I HA -0.072 4.098 4.170 -0.000 0.000 0.288 688 I C 2.221 178.378 176.117 0.068 0.000 1.198 688 I CA 0.262 61.608 61.300 0.076 0.000 1.417 688 I CB 0.100 38.136 38.000 0.061 0.000 1.205 688 I HN 0.071 nan 8.210 nan 0.000 0.448 689 S N 0.142 115.885 115.700 0.071 0.000 2.419 689 S HA -0.109 4.361 4.470 -0.000 0.000 0.233 689 S C 1.983 176.625 174.600 0.070 0.000 1.016 689 S CA 1.221 59.459 58.200 0.063 0.000 0.974 689 S CB -0.055 63.182 63.200 0.062 0.000 0.786 689 S HN 0.217 nan 8.310 nan 0.000 0.492 690 V N 1.378 121.341 119.914 0.081 0.000 2.346 690 V HA -0.012 4.108 4.120 -0.000 0.000 0.244 690 V C 2.542 178.676 176.094 0.067 0.000 1.037 690 V CA 1.570 63.915 62.300 0.075 0.000 1.029 690 V CB -0.536 31.331 31.823 0.073 0.000 0.663 690 V HN 0.395 nan 8.190 nan 0.000 0.454 691 R N 0.095 120.633 120.500 0.062 0.000 2.103 691 R HA -0.244 4.096 4.340 -0.000 0.000 0.242 691 R C 2.372 178.710 176.300 0.063 0.000 1.142 691 R CA 1.866 57.999 56.100 0.055 0.000 0.960 691 R CB -0.359 29.972 30.300 0.051 0.000 0.858 691 R HN 0.275 nan 8.270 nan 0.000 0.439 692 K N 0.562 120.998 120.400 0.061 0.000 1.985 692 K HA -0.143 4.177 4.320 -0.000 0.000 0.210 692 K C 2.165 178.807 176.600 0.069 0.000 1.047 692 K CA 1.583 57.904 56.287 0.057 0.000 0.932 692 K CB -0.120 32.409 32.500 0.048 0.000 0.716 692 K HN 0.020 nan 8.250 nan 0.000 0.439 693 Q N 0.079 119.926 119.800 0.078 0.000 2.124 693 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 693 Q C 2.343 178.430 176.000 0.146 0.000 0.977 693 Q CA 1.431 57.289 55.803 0.092 0.000 0.850 693 Q CB -0.224 28.568 28.738 0.090 0.000 0.901 693 Q HN 0.416 nan 8.270 nan 0.000 0.429 694 I N 0.676 121.354 120.570 0.181 0.000 2.315 694 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 694 I C 2.385 178.666 176.117 0.273 0.000 1.117 694 I CA 1.085 62.569 61.300 0.306 0.000 1.404 694 I CB -0.072 38.029 38.000 0.168 0.000 1.071 694 I HN 0.171 nan 8.210 nan 0.000 0.419 695 E N 1.531 121.822 120.200 0.152 0.000 2.077 695 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 695 E C 2.028 178.677 176.600 0.082 0.000 0.989 695 E CA 1.530 57.996 56.400 0.110 0.000 0.800 695 E CB -0.214 29.530 29.700 0.073 0.000 0.746 695 E HN 0.442 nan 8.360 nan 0.000 0.452 696 I N 0.238 120.848 120.570 0.066 0.000 2.113 696 I HA -0.285 3.885 4.170 -0.000 0.000 0.238 696 I C 2.567 178.681 176.117 -0.004 0.000 1.070 696 I CA 1.525 62.843 61.300 0.029 0.000 1.332 696 I CB -0.437 37.578 38.000 0.024 0.000 1.044 696 I HN 0.237 nan 8.210 nan 0.000 0.402 697 Q N 0.883 120.675 119.800 -0.014 0.000 2.152 697 Q HA -0.221 4.118 4.340 -0.000 0.000 0.206 697 Q C 1.977 177.849 176.000 -0.214 0.000 0.985 697 Q CA 2.555 58.262 55.803 -0.160 0.000 0.863 697 Q CB -0.596 27.984 28.738 -0.263 0.000 0.904 697 Q HN 0.367 nan 8.270 nan 0.000 0.422 698 T N 0.263 114.793 114.554 -0.040 0.000 2.833 698 T HA -0.105 4.245 4.350 -0.000 0.000 0.269 698 T C 1.412 176.102 174.700 -0.017 0.000 1.054 698 T CA 1.529 63.641 62.100 0.020 0.000 1.135 698 T CB -0.086 68.877 68.868 0.159 0.000 0.869 698 T HN 0.372 nan 8.240 nan 0.000 0.466 699 K N 0.478 120.868 120.400 -0.016 0.000 2.062 699 K HA 0.125 4.445 4.320 -0.000 0.000 0.205 699 K C 2.190 178.763 176.600 -0.044 0.000 1.051 699 K CA 0.872 57.148 56.287 -0.018 0.000 0.941 699 K CB -0.193 32.303 32.500 -0.006 0.000 0.719 699 K HN 0.304 nan 8.250 nan 0.000 0.440 700 I N 1.598 122.126 120.570 -0.071 0.000 2.163 700 I HA -0.357 3.813 4.170 -0.000 0.000 0.243 700 I C 2.346 178.404 176.117 -0.098 0.000 1.085 700 I CA 1.544 62.793 61.300 -0.086 0.000 1.347 700 I CB -0.337 37.596 38.000 -0.112 0.000 1.044 700 I HN 0.268 nan 8.210 nan 0.000 0.408 701 Q N 0.364 120.083 119.800 -0.135 0.000 2.124 701 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 701 Q C 1.809 177.769 176.000 -0.067 0.000 0.977 701 Q CA 1.368 57.095 55.803 -0.127 0.000 0.850 701 Q CB -0.180 28.451 28.738 -0.178 0.000 0.901 701 Q HN 0.485 nan 8.270 nan 0.000 0.429 702 N N 0.397 119.070 118.700 -0.045 0.000 2.459 702 N HA -0.029 4.711 4.740 -0.000 0.000 0.181 702 N C 1.353 176.850 175.510 -0.022 0.000 1.046 702 N CA 0.898 53.935 53.050 -0.022 0.000 0.904 702 N CB -0.168 38.315 38.487 -0.007 0.000 0.964 702 N HN 0.234 nan 8.380 nan 0.000 0.444 703 A N 1.174 123.976 122.820 -0.031 0.000 1.978 703 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 703 A C 1.876 179.446 177.584 -0.024 0.000 1.170 703 A CA 1.309 53.331 52.037 -0.026 0.000 0.636 703 A CB -0.278 18.703 19.000 -0.032 0.000 0.810 703 A HN 0.243 nan 8.150 nan 0.000 0.448 704 K N 0.246 120.629 120.400 -0.030 0.000 2.525 704 K HA 0.027 4.347 4.320 -0.000 0.000 0.192 704 K C -0.300 176.290 176.600 -0.017 0.000 1.029 704 K CA -0.142 56.130 56.287 -0.025 0.000 1.029 704 K CB -0.071 32.410 32.500 -0.031 0.000 0.814 704 K HN 0.271 nan 8.250 nan 0.000 0.503 705 N N 2.659 121.350 118.700 -0.015 0.000 2.431 705 N HA 0.081 4.821 4.740 -0.000 0.000 0.265 705 N C -0.643 174.863 175.510 -0.007 0.000 1.184 705 N CA 0.634 53.679 53.050 -0.008 0.000 0.943 705 N CB 0.667 39.151 38.487 -0.005 0.000 1.080 705 N HN 0.091 nan 8.380 nan 0.000 0.477 706 K N 0.000 120.397 120.400 -0.005 0.000 2.780 706 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 706 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 706 K CB 0.000 32.496 32.500 -0.006 0.000 1.064 706 K HN 0.000 nan 8.250 nan 0.000 0.543