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 1djh_1_A DATA FIRST_RESID 200 DATA SEQUENCE EIETFYKMLT QRAEIDRAFE EAAGSAETLS VERLVTFLQH QQREEEAGPA DATA SEQUENCE LALSLIERYE PSETAKAQRQ MTKDGFLMYL LSADGNAFSL AHRRVYQDMD DATA SEQUENCE QPLSHYLVSS SHNTYLLEDQ LTGPSSTEAY IRALCKGCRC LELDCWDGPN DATA SEQUENCE QEPIIYHGYT FTSKILFCDV LRAIRDYAFK ASPYPVILSL ENHCSLEQQR DATA SEQUENCE VMARHLRAIL GPILLDQPLD GVTTSLPSPE QLKGKILLKG KKLXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXKLV PELSDMIIYC DATA SEQUENCE KSVHFGGFSS PGTSGQAFYE MASFSESRAL RLLQESGNGF VRHNVSCLSR DATA SEQUENCE IYPAGWRTDS SNYSPVEMWN GGCQIVALNF QTPGPEMDVY LGCFQDNGGC DATA SEQUENCE GYVLKPAFLR DPNTTFNSRA LTQGPWWRPE RLRVRIISGQ QLPKVNKNKN DATA SEQUENCE SIVDPKVIVE IHGVGRDTGS RQTAVITNNG FNPRWDMEFE FEVTVPDLAL DATA SEQUENCE VRFMVEDYDS SSKNDFIGQS TIPWNSLKQG YRHVHLLSKN GDQHPSATLF DATA SEQUENCE VKISIQD 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 200 E HA 0.000 nan 4.350 nan 0.000 0.291 200 E C 0.000 176.706 176.600 0.176 0.000 1.382 200 E CA 0.000 56.465 56.400 0.108 0.000 0.976 200 E CB 0.000 29.722 29.700 0.037 0.000 0.812 201 I N 1.168 121.803 120.570 0.109 0.000 3.241 201 I HA 0.573 4.743 4.170 -0.000 0.000 0.280 201 I C 1.966 178.111 176.117 0.046 0.000 1.320 201 I CA 3.111 64.483 61.300 0.121 0.000 1.413 201 I CB -1.340 36.684 38.000 0.040 0.000 1.060 201 I HN 0.921 nan 8.210 nan 0.000 0.500 202 E N -1.288 118.952 120.200 0.067 0.000 3.454 202 E HA 0.258 4.608 4.350 -0.000 0.000 0.208 202 E C 2.162 178.835 176.600 0.122 0.000 1.153 202 E CA 1.482 57.884 56.400 0.003 0.000 1.553 202 E CB -1.103 28.570 29.700 -0.045 0.000 1.423 202 E HN 0.845 nan 8.360 nan 0.000 0.662 203 T N 0.489 115.111 114.554 0.114 0.000 2.428 203 T HA -0.115 4.235 4.350 -0.000 0.000 0.248 203 T C 1.872 176.684 174.700 0.185 0.000 1.284 203 T CA 2.735 64.910 62.100 0.126 0.000 1.217 203 T CB -0.797 68.144 68.868 0.121 0.000 0.864 203 T HN 0.361 nan 8.240 nan 0.000 0.402 204 F N 0.639 120.624 119.950 0.059 0.000 2.027 204 F HA -0.163 4.364 4.527 -0.000 0.000 0.297 204 F C 2.297 178.147 175.800 0.083 0.000 1.129 204 F CA 2.205 60.235 58.000 0.050 0.000 1.195 204 F CB -1.026 37.994 39.000 0.033 0.000 0.960 204 F HN 0.456 nan 8.300 nan 0.000 0.485 205 Y N 1.051 121.388 120.300 0.061 0.000 1.956 205 Y HA -0.380 4.170 4.550 -0.000 0.000 0.258 205 Y C 2.478 178.325 175.900 -0.088 0.000 1.152 205 Y CA 2.790 60.868 58.100 -0.036 0.000 1.093 205 Y CB -0.917 37.567 38.460 0.040 0.000 0.945 205 Y HN 0.020 nan 8.280 nan 0.000 0.488 206 K N -0.321 120.344 120.400 0.442 0.000 2.442 206 K HA -0.110 4.210 4.320 -0.000 0.000 0.198 206 K C 2.117 178.761 176.600 0.073 0.000 1.042 206 K CA 1.275 57.716 56.287 0.257 0.000 0.958 206 K CB -0.278 32.323 32.500 0.169 0.000 0.766 206 K HN 0.561 nan 8.250 nan 0.000 0.474 207 M N -0.305 119.308 119.600 0.022 0.000 2.287 207 M HA -0.042 4.438 4.480 -0.000 0.000 0.266 207 M C 1.383 177.643 176.300 -0.067 0.000 1.079 207 M CA 1.108 56.395 55.300 -0.021 0.000 1.146 207 M CB 0.161 32.753 32.600 -0.013 0.000 1.374 207 M HN 0.081 nan 8.290 nan 0.000 0.435 208 L N 0.093 121.208 121.223 -0.181 0.000 1.937 208 L HA -0.131 4.209 4.340 -0.000 0.000 0.213 208 L C 1.221 178.131 176.870 0.067 0.000 1.077 208 L CA 2.111 56.855 54.840 -0.159 0.000 0.758 208 L CB -1.317 40.475 42.059 -0.444 0.000 0.888 208 L HN 0.359 nan 8.230 nan 0.000 0.433 209 T N -0.404 114.142 114.554 -0.013 0.000 4.678 209 T HA 0.010 4.360 4.350 -0.000 0.000 0.230 209 T C 0.196 174.885 174.700 -0.018 0.000 0.757 209 T CA 0.219 62.319 62.100 -0.001 0.000 0.966 209 T CB -0.510 68.341 68.868 -0.028 0.000 1.424 209 T HN 0.322 nan 8.240 nan 0.000 0.886 210 Q N 1.482 121.261 119.800 -0.034 0.000 2.281 210 Q HA 0.322 4.662 4.340 -0.000 0.000 0.263 210 Q C -1.410 174.542 176.000 -0.081 0.000 0.989 210 Q CA -0.796 54.976 55.803 -0.052 0.000 0.852 210 Q CB 1.614 30.337 28.738 -0.026 0.000 1.337 210 Q HN 0.571 nan 8.270 nan 0.000 0.418 211 R N 2.454 122.893 120.500 -0.102 0.000 2.371 211 R HA 0.469 4.809 4.340 -0.000 0.000 0.312 211 R C 0.463 176.711 176.300 -0.087 0.000 0.980 211 R CA -0.048 55.981 56.100 -0.119 0.000 0.867 211 R CB 1.476 31.663 30.300 -0.188 0.000 1.163 211 R HN 0.716 nan 8.270 nan 0.000 0.492 212 A N 3.337 126.124 122.820 -0.055 0.000 1.908 212 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 212 A C 2.019 179.599 177.584 -0.007 0.000 1.181 212 A CA 1.748 53.770 52.037 -0.025 0.000 0.627 212 A CB -0.258 18.736 19.000 -0.011 0.000 0.818 212 A HN 0.862 nan 8.150 nan 0.000 0.445 213 E N 0.211 120.409 120.200 -0.003 0.000 2.160 213 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 213 E C 1.823 178.433 176.600 0.018 0.000 0.991 213 E CA 1.451 57.886 56.400 0.059 0.000 0.810 213 E CB -0.523 29.265 29.700 0.147 0.000 0.742 213 E HN 0.510 nan 8.360 nan 0.000 0.466 214 I N 2.357 122.872 120.570 -0.093 0.000 2.233 214 I HA -0.185 3.985 4.170 -0.000 0.000 0.243 214 I C 1.881 178.031 176.117 0.055 0.000 1.093 214 I CA 1.215 62.470 61.300 -0.075 0.000 1.380 214 I CB -1.145 36.756 38.000 -0.165 0.000 1.067 214 I HN 0.036 nan 8.210 nan 0.000 0.413 215 D N 0.664 121.067 120.400 0.004 0.000 2.116 215 D HA -0.202 4.438 4.640 -0.000 0.000 0.193 215 D C 2.305 178.638 176.300 0.055 0.000 0.998 215 D CA 1.156 55.166 54.000 0.016 0.000 0.836 215 D CB -0.257 40.537 40.800 -0.009 0.000 0.951 215 D HN 0.223 nan 8.370 nan 0.000 0.449 216 R N 0.348 120.874 120.500 0.044 0.000 2.103 216 R HA -0.166 4.174 4.340 -0.000 0.000 0.234 216 R C 2.299 178.626 176.300 0.045 0.000 1.132 216 R CA 1.605 57.735 56.100 0.050 0.000 0.925 216 R CB -0.458 29.880 30.300 0.063 0.000 0.842 216 R HN 0.143 nan 8.270 nan 0.000 0.430 217 A N 0.494 123.336 122.820 0.036 0.000 1.927 217 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 217 A C 2.036 179.570 177.584 -0.083 0.000 1.185 217 A CA 1.812 53.843 52.037 -0.010 0.000 0.639 217 A CB -0.891 18.030 19.000 -0.131 0.000 0.820 217 A HN 0.505 nan 8.150 nan 0.000 0.451 218 F N 0.607 120.348 119.950 -0.348 0.000 2.102 218 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 218 F C 2.237 177.776 175.800 -0.435 0.000 1.105 218 F CA 2.177 59.693 58.000 -0.808 0.000 1.239 218 F CB -0.405 38.212 39.000 -0.638 0.000 0.991 218 F HN 0.387 nan 8.300 nan 0.000 0.474 219 E N -0.009 120.149 120.200 -0.070 0.000 2.049 219 E HA -0.260 4.090 4.350 -0.000 0.000 0.198 219 E C 2.134 178.651 176.600 -0.139 0.000 1.007 219 E CA 1.728 58.081 56.400 -0.077 0.000 0.809 219 E CB -0.280 29.426 29.700 0.010 0.000 0.749 219 E HN 0.495 nan 8.360 nan 0.000 0.450 220 E N 0.704 120.862 120.200 -0.070 0.000 2.085 220 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 220 E C 2.094 178.661 176.600 -0.054 0.000 0.994 220 E CA 1.207 57.603 56.400 -0.007 0.000 0.801 220 E CB -0.496 29.267 29.700 0.106 0.000 0.743 220 E HN 0.281 nan 8.360 nan 0.000 0.453 221 A N 2.039 124.759 122.820 -0.167 0.000 1.835 221 A HA -0.002 4.318 4.320 -0.000 0.000 0.215 221 A C 2.481 179.853 177.584 -0.353 0.000 1.199 221 A CA 2.401 54.303 52.037 -0.225 0.000 0.615 221 A CB -0.826 17.822 19.000 -0.588 0.000 0.838 221 A HN 0.316 nan 8.150 nan 0.000 0.444 222 A N -1.738 120.694 122.820 -0.647 0.000 2.119 222 A HA 0.410 4.730 4.320 -0.000 0.000 0.216 222 A C 1.951 179.363 177.584 -0.287 0.000 1.152 222 A CA 1.520 53.211 52.037 -0.576 0.000 0.708 222 A CB -1.264 17.138 19.000 -0.997 0.000 0.805 222 A HN 2.104 nan 8.150 nan 0.000 0.460 223 G N -0.348 108.326 108.800 -0.209 0.000 2.550 223 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.277 223 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.277 223 G C 1.322 176.173 174.900 -0.082 0.000 1.190 223 G CA 1.507 46.544 45.100 -0.106 0.000 0.971 223 G HN 1.385 nan 8.290 nan 0.000 0.559 224 S N 0.740 116.408 115.700 -0.053 0.000 2.402 224 S HA 0.376 4.846 4.470 -0.000 0.000 0.229 224 S C 1.813 176.401 174.600 -0.021 0.000 1.021 224 S CA 1.828 60.011 58.200 -0.028 0.000 0.974 224 S CB -0.687 62.500 63.200 -0.020 0.000 0.800 224 S HN 2.293 nan 8.310 nan 0.000 0.484 225 A N 1.683 124.479 122.820 -0.040 0.000 2.536 225 A HA 0.107 4.427 4.320 -0.000 0.000 0.234 225 A C 1.061 178.661 177.584 0.026 0.000 1.076 225 A CA 0.115 52.138 52.037 -0.023 0.000 0.769 225 A CB -0.011 18.958 19.000 -0.053 0.000 1.020 225 A HN 0.472 nan 8.150 nan 0.000 0.508 226 E N -0.761 119.472 120.200 0.056 0.000 2.474 226 E HA 0.086 4.436 4.350 -0.000 0.000 0.195 226 E C -0.374 176.347 176.600 0.201 0.000 1.039 226 E CA 0.367 56.836 56.400 0.116 0.000 0.881 226 E CB 0.351 30.084 29.700 0.054 0.000 0.970 226 E HN 0.681 nan 8.360 nan 0.000 0.486 227 T N -0.072 114.562 114.554 0.133 0.000 2.883 227 T HA 0.416 4.766 4.350 -0.000 0.000 0.301 227 T C -0.872 173.820 174.700 -0.015 0.000 1.158 227 T CA -0.573 61.617 62.100 0.150 0.000 1.007 227 T CB 1.696 70.612 68.868 0.079 0.000 1.186 227 T HN -0.049 nan 8.240 nan 0.000 0.499 228 L N 2.861 124.069 121.223 -0.025 0.000 2.272 228 L HA 0.499 4.839 4.340 -0.000 0.000 0.289 228 L C 0.690 177.535 176.870 -0.042 0.000 1.032 228 L CA -0.646 54.106 54.840 -0.145 0.000 0.810 228 L CB 1.484 43.415 42.059 -0.214 0.000 1.205 228 L HN 0.781 nan 8.230 nan 0.000 0.422 229 S N 2.026 117.696 115.700 -0.049 0.000 2.610 229 S HA 0.203 4.673 4.470 -0.000 0.000 0.273 229 S C 1.205 175.798 174.600 -0.012 0.000 1.274 229 S CA -0.917 57.272 58.200 -0.019 0.000 1.023 229 S CB 1.902 65.089 63.200 -0.022 0.000 0.962 229 S HN 0.338 nan 8.310 nan 0.000 0.523 230 V N 1.678 121.593 119.914 0.002 0.000 2.363 230 V HA -0.249 3.871 4.120 -0.000 0.000 0.254 230 V C 2.798 178.898 176.094 0.010 0.000 1.074 230 V CA 2.573 64.878 62.300 0.009 0.000 1.069 230 V CB -1.080 30.748 31.823 0.009 0.000 0.659 230 V HN 1.082 nan 8.190 nan 0.000 0.455 231 E N -0.105 120.096 120.200 0.003 0.000 2.051 231 E HA -0.234 4.116 4.350 -0.000 0.000 0.192 231 E C 2.461 179.066 176.600 0.009 0.000 0.991 231 E CA 1.183 57.586 56.400 0.004 0.000 0.799 231 E CB -0.077 29.621 29.700 -0.004 0.000 0.748 231 E HN 0.520 nan 8.360 nan 0.000 0.449 232 R N 0.231 120.725 120.500 -0.009 0.000 2.092 232 R HA -0.125 4.215 4.340 -0.000 0.000 0.231 232 R C 2.532 178.850 176.300 0.029 0.000 1.119 232 R CA 0.722 56.813 56.100 -0.016 0.000 0.970 232 R CB -0.627 29.624 30.300 -0.080 0.000 0.864 232 R HN 0.254 nan 8.270 nan 0.000 0.440 233 L N 1.048 122.286 121.223 0.024 0.000 1.994 233 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 233 L C 2.253 179.214 176.870 0.151 0.000 1.071 233 L CA 1.518 56.407 54.840 0.082 0.000 0.745 233 L CB -0.651 41.433 42.059 0.041 0.000 0.892 233 L HN -0.144 nan 8.230 nan 0.000 0.431 234 V N -0.468 119.497 119.914 0.086 0.000 2.380 234 V HA -0.352 3.768 4.120 -0.000 0.000 0.251 234 V C 2.466 178.619 176.094 0.099 0.000 1.063 234 V CA 2.271 64.617 62.300 0.076 0.000 1.055 234 V CB -1.110 30.739 31.823 0.042 0.000 0.657 234 V HN 0.577 nan 8.190 nan 0.000 0.455 235 T N -0.242 114.375 114.554 0.105 0.000 2.788 235 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 235 T C 1.630 176.449 174.700 0.199 0.000 1.044 235 T CA 1.783 63.952 62.100 0.115 0.000 1.139 235 T CB -0.360 68.555 68.868 0.077 0.000 0.867 235 T HN 0.487 nan 8.240 nan 0.000 0.454 236 F N 1.852 121.854 119.950 0.088 0.000 2.113 236 F HA 0.049 4.576 4.527 -0.000 0.000 0.297 236 F C 1.904 177.787 175.800 0.138 0.000 1.103 236 F CA 0.987 59.074 58.000 0.145 0.000 1.248 236 F CB -0.521 38.576 39.000 0.161 0.000 0.999 236 F HN 0.013 nan 8.300 nan 0.000 0.475 237 L N -0.195 121.122 121.223 0.156 0.000 2.129 237 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 237 L C 2.445 179.288 176.870 -0.044 0.000 1.087 237 L CA 1.819 56.676 54.840 0.028 0.000 0.757 237 L CB -0.730 41.374 42.059 0.075 0.000 0.896 237 L HN 0.313 nan 8.230 nan 0.000 0.434 238 Q N -1.285 118.518 119.800 0.004 0.000 2.084 238 Q HA -0.155 4.185 4.340 -0.000 0.000 0.194 238 Q C 2.343 178.347 176.000 0.006 0.000 0.969 238 Q CA 0.897 56.704 55.803 0.007 0.000 0.829 238 Q CB 0.011 28.774 28.738 0.042 0.000 0.904 238 Q HN 0.430 nan 8.270 nan 0.000 0.464 239 H N -0.981 118.047 119.070 -0.070 0.000 2.363 239 H HA -0.051 4.505 4.556 -0.000 0.000 0.301 239 H C 1.517 176.763 175.328 -0.138 0.000 1.074 239 H CA 1.252 57.256 56.048 -0.074 0.000 1.354 239 H CB 0.692 30.440 29.762 -0.024 0.000 1.397 239 H HN 0.238 nan 8.280 nan 0.000 0.516 240 Q N 0.047 119.628 119.800 -0.364 0.000 2.159 240 Q HA -0.022 4.318 4.340 -0.000 0.000 0.194 240 Q C 2.234 177.947 176.000 -0.479 0.000 0.968 240 Q CA 0.583 56.066 55.803 -0.533 0.000 0.837 240 Q CB -0.038 28.262 28.738 -0.731 0.000 0.920 240 Q HN 0.531 nan 8.270 nan 0.000 0.485 241 Q N 0.985 120.499 119.800 -0.477 0.000 2.472 241 Q HA 0.032 4.372 4.340 -0.000 0.000 0.208 241 Q C -0.121 175.765 176.000 -0.191 0.000 0.958 241 Q CA 0.119 55.753 55.803 -0.281 0.000 0.932 241 Q CB 0.148 28.794 28.738 -0.154 0.000 1.007 241 Q HN 0.336 nan 8.270 nan 0.000 0.508 242 R N 1.191 121.581 120.500 -0.184 0.000 3.405 242 R HA -0.140 4.200 4.340 -0.000 0.000 0.258 242 R C -0.755 175.490 176.300 -0.092 0.000 1.030 242 R CA 0.594 56.617 56.100 -0.127 0.000 0.691 242 R CB -2.402 27.812 30.300 -0.143 0.000 1.093 242 R HN 0.303 nan 8.270 nan 0.000 0.448 243 E N 1.308 121.467 120.200 -0.068 0.000 2.360 243 E HA 0.064 4.414 4.350 -0.000 0.000 0.269 243 E C 0.948 177.527 176.600 -0.035 0.000 1.022 243 E CA -0.176 56.197 56.400 -0.046 0.000 0.887 243 E CB 0.790 30.481 29.700 -0.015 0.000 0.990 243 E HN 0.252 nan 8.360 nan 0.000 0.426 244 E N 1.678 121.855 120.200 -0.038 0.000 2.230 244 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 244 E C 0.257 176.848 176.600 -0.014 0.000 0.987 244 E CA 0.465 56.849 56.400 -0.026 0.000 0.841 244 E CB 0.347 30.030 29.700 -0.028 0.000 0.783 244 E HN 0.443 nan 8.360 nan 0.000 0.481 245 E N 0.553 120.746 120.200 -0.012 0.000 2.370 245 E HA 0.162 4.512 4.350 -0.000 0.000 0.194 245 E C -0.448 176.155 176.600 0.004 0.000 1.057 245 E CA -0.455 55.943 56.400 -0.002 0.000 1.011 245 E CB 0.662 30.362 29.700 -0.001 0.000 1.132 245 E HN 0.072 nan 8.360 nan 0.000 0.450 246 A N 1.280 124.102 122.820 0.002 0.000 2.522 246 A HA 0.459 4.779 4.320 -0.000 0.000 0.256 246 A C 0.623 178.215 177.584 0.013 0.000 1.086 246 A CA 0.807 52.850 52.037 0.010 0.000 0.763 246 A CB 0.272 19.278 19.000 0.009 0.000 1.024 246 A HN 0.310 nan 8.150 nan 0.000 0.502 247 G N 2.252 111.062 108.800 0.017 0.000 2.328 247 G HA2 0.459 4.418 3.960 -0.000 0.000 0.295 247 G HA3 0.459 4.418 3.960 -0.000 0.000 0.295 247 G C -2.594 172.316 174.900 0.016 0.000 1.413 247 G CA -0.130 44.979 45.100 0.015 0.000 0.817 247 G HN 0.216 nan 8.290 nan 0.000 0.546 248 P HA -0.085 nan 4.420 nan 0.000 0.216 248 P C 2.098 179.404 177.300 0.011 0.000 1.150 248 P CA 2.498 65.605 63.100 0.012 0.000 0.843 248 P CB 0.166 31.872 31.700 0.009 0.000 0.787 249 A N -0.723 122.103 122.820 0.010 0.000 1.877 249 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 249 A C 2.124 179.714 177.584 0.011 0.000 1.186 249 A CA 1.510 53.552 52.037 0.009 0.000 0.620 249 A CB -1.640 17.365 19.000 0.009 0.000 0.822 249 A HN 0.150 nan 8.150 nan 0.000 0.443 250 L N -0.026 121.205 121.223 0.014 0.000 1.976 250 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 250 L C 2.732 179.609 176.870 0.012 0.000 1.071 250 L CA 2.410 57.260 54.840 0.017 0.000 0.746 250 L CB -1.307 40.763 42.059 0.019 0.000 0.890 250 L HN 0.380 nan 8.230 nan 0.000 0.432 251 A N -0.552 122.273 122.820 0.010 0.000 1.896 251 A HA -0.303 4.017 4.320 -0.000 0.000 0.220 251 A C 2.373 179.962 177.584 0.008 0.000 1.206 251 A CA 2.511 54.551 52.037 0.005 0.000 0.647 251 A CB -1.269 17.741 19.000 0.016 0.000 0.828 251 A HN 0.522 nan 8.150 nan 0.000 0.455 252 L N 0.415 121.644 121.223 0.010 0.000 2.131 252 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 252 L C 2.858 179.730 176.870 0.004 0.000 1.092 252 L CA 2.102 56.947 54.840 0.009 0.000 0.759 252 L CB -0.222 41.841 42.059 0.006 0.000 0.903 252 L HN 0.562 nan 8.230 nan 0.000 0.435 253 S N -1.252 114.450 115.700 0.003 0.000 2.387 253 S HA -0.111 4.359 4.470 -0.000 0.000 0.226 253 S C 1.948 176.539 174.600 -0.014 0.000 1.026 253 S CA 0.854 59.047 58.200 -0.011 0.000 0.972 253 S CB -0.678 62.521 63.200 -0.002 0.000 0.814 253 S HN 0.397 nan 8.310 nan 0.000 0.477 254 L N 0.836 122.079 121.223 0.033 0.000 2.046 254 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 254 L C 2.543 179.487 176.870 0.122 0.000 1.077 254 L CA 1.325 56.239 54.840 0.123 0.000 0.747 254 L CB -0.650 41.429 42.059 0.033 0.000 0.896 254 L HN 0.287 nan 8.230 nan 0.000 0.432 255 I N -0.168 120.440 120.570 0.064 0.000 2.202 255 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 255 I C 2.429 178.563 176.117 0.029 0.000 1.091 255 I CA 1.340 62.682 61.300 0.069 0.000 1.368 255 I CB -0.262 37.767 38.000 0.049 0.000 1.058 255 I HN 0.262 nan 8.210 nan 0.000 0.410 256 E N 0.330 120.524 120.200 -0.011 0.000 2.110 256 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 256 E C 2.260 178.803 176.600 -0.094 0.000 0.988 256 E CA 0.995 57.373 56.400 -0.038 0.000 0.804 256 E CB -0.113 29.563 29.700 -0.039 0.000 0.745 256 E HN 0.333 nan 8.360 nan 0.000 0.458 257 R N -0.448 119.937 120.500 -0.192 0.000 2.075 257 R HA -0.078 4.262 4.340 -0.000 0.000 0.226 257 R C 1.119 177.128 176.300 -0.484 0.000 1.114 257 R CA 1.258 57.091 56.100 -0.446 0.000 0.972 257 R CB 0.154 29.991 30.300 -0.772 0.000 0.869 257 R HN 0.192 nan 8.270 nan 0.000 0.437 258 Y N -0.991 119.350 120.300 0.068 0.000 2.430 258 Y HA 0.271 4.821 4.550 -0.000 0.000 0.248 258 Y C -0.125 175.818 175.900 0.072 0.000 1.108 258 Y CA -0.595 57.554 58.100 0.082 0.000 1.264 258 Y CB 0.259 38.799 38.460 0.134 0.000 1.172 258 Y HN -0.050 nan 8.280 nan 0.000 0.520 259 E N 3.778 124.078 120.200 0.166 0.000 2.257 259 E HA 0.094 4.444 4.350 -0.000 0.000 0.278 259 E C -1.767 174.883 176.600 0.083 0.000 1.049 259 E CA -1.997 54.477 56.400 0.123 0.000 0.876 259 E CB 0.872 30.630 29.700 0.096 0.000 1.035 259 E HN 0.046 nan 8.360 nan 0.000 0.419 260 P HA -0.038 nan 4.420 nan 0.000 0.221 260 P C 0.077 177.397 177.300 0.033 0.000 1.155 260 P CA 0.234 63.365 63.100 0.050 0.000 0.812 260 P CB 0.252 31.979 31.700 0.045 0.000 0.801 261 S N 0.870 116.589 115.700 0.031 0.000 2.488 261 S HA 0.047 4.517 4.470 -0.000 0.000 0.278 261 S C 1.330 175.943 174.600 0.021 0.000 1.259 261 S CA -0.381 57.832 58.200 0.021 0.000 1.061 261 S CB 0.174 63.385 63.200 0.019 0.000 0.910 261 S HN -0.087 nan 8.310 nan 0.000 0.491 262 E N 3.908 124.117 120.200 0.015 0.000 2.110 262 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 262 E C 1.891 178.498 176.600 0.012 0.000 0.988 262 E CA 1.518 57.925 56.400 0.012 0.000 0.804 262 E CB -0.810 28.895 29.700 0.009 0.000 0.745 262 E HN 0.795 nan 8.360 nan 0.000 0.458 263 T N 1.385 115.945 114.554 0.011 0.000 2.614 263 T HA -0.141 4.209 4.350 -0.000 0.000 0.263 263 T C 1.977 176.686 174.700 0.015 0.000 1.055 263 T CA 1.936 64.043 62.100 0.011 0.000 1.162 263 T CB -0.409 68.464 68.868 0.009 0.000 0.863 263 T HN 0.310 nan 8.240 nan 0.000 0.414 264 A N 1.341 124.173 122.820 0.020 0.000 1.948 264 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 264 A C 2.217 179.818 177.584 0.029 0.000 1.177 264 A CA 2.130 54.184 52.037 0.028 0.000 0.636 264 A CB -0.606 18.417 19.000 0.038 0.000 0.815 264 A HN 0.485 nan 8.150 nan 0.000 0.449 265 K N -0.582 119.834 120.400 0.028 0.000 1.978 265 K HA -0.118 4.202 4.320 -0.000 0.000 0.214 265 K C 2.289 178.899 176.600 0.017 0.000 1.049 265 K CA 1.307 57.609 56.287 0.025 0.000 0.939 265 K CB -0.401 32.111 32.500 0.021 0.000 0.721 265 K HN 0.377 nan 8.250 nan 0.000 0.441 266 A N 1.104 123.931 122.820 0.013 0.000 1.958 266 A HA -0.238 4.081 4.320 -0.000 0.000 0.221 266 A C 1.651 179.240 177.584 0.009 0.000 1.178 266 A CA 1.740 53.783 52.037 0.009 0.000 0.642 266 A CB -0.493 18.511 19.000 0.007 0.000 0.816 266 A HN 0.531 nan 8.150 nan 0.000 0.453 267 Q N -1.316 118.491 119.800 0.012 0.000 2.247 267 Q HA 0.221 4.561 4.340 -0.000 0.000 0.205 267 Q C -0.553 175.455 176.000 0.013 0.000 0.896 267 Q CA -0.252 55.557 55.803 0.011 0.000 0.950 267 Q CB 0.167 28.911 28.738 0.011 0.000 1.054 267 Q HN 0.575 nan 8.270 nan 0.000 0.482 268 R N 1.164 121.673 120.500 0.015 0.000 3.264 268 R HA -0.208 4.132 4.340 -0.000 0.000 0.251 268 R C -0.821 175.491 176.300 0.020 0.000 0.971 268 R CA 0.626 56.736 56.100 0.016 0.000 0.658 268 R CB -1.657 28.649 30.300 0.011 0.000 1.095 268 R HN 0.416 nan 8.270 nan 0.000 0.443 269 Q N -0.132 119.685 119.800 0.029 0.000 2.456 269 Q HA 0.604 4.944 4.340 -0.000 0.000 0.283 269 Q C -0.847 175.191 176.000 0.063 0.000 1.084 269 Q CA -0.950 54.876 55.803 0.038 0.000 0.801 269 Q CB 2.712 31.470 28.738 0.035 0.000 1.434 269 Q HN 0.232 nan 8.270 nan 0.000 0.419 270 M N 1.778 121.431 119.600 0.088 0.000 2.253 270 M HA 0.426 4.906 4.480 -0.000 0.000 0.314 270 M C -0.650 175.775 176.300 0.209 0.000 1.019 270 M CA -0.369 55.017 55.300 0.144 0.000 0.932 270 M CB 1.761 34.462 32.600 0.168 0.000 1.606 270 M HN 0.847 nan 8.290 nan 0.000 0.430 271 T N 0.696 115.341 114.554 0.151 0.000 2.824 271 T HA 0.320 4.670 4.350 -0.000 0.000 0.277 271 T C 0.833 175.475 174.700 -0.098 0.000 0.975 271 T CA -0.611 61.528 62.100 0.064 0.000 0.966 271 T CB 1.257 70.119 68.868 -0.010 0.000 1.054 271 T HN 0.885 nan 8.240 nan 0.000 0.533 272 K N -0.032 119.970 120.400 -0.664 0.000 2.152 272 K HA -0.160 4.159 4.320 -0.000 0.000 0.206 272 K C 1.486 177.947 176.600 -0.230 0.000 1.048 272 K CA 1.656 57.358 56.287 -0.976 0.000 0.933 272 K CB -0.248 31.599 32.500 -1.089 0.000 0.721 272 K HN 0.568 nan 8.250 nan 0.000 0.447 273 D N -0.409 119.907 120.400 -0.140 0.000 2.084 273 D HA -0.113 4.527 4.640 -0.000 0.000 0.194 273 D C 1.838 178.168 176.300 0.049 0.000 0.990 273 D CA 1.517 55.495 54.000 -0.037 0.000 0.826 273 D CB -0.552 40.231 40.800 -0.029 0.000 0.971 273 D HN 0.425 nan 8.370 nan 0.000 0.453 274 G N 0.010 108.869 108.800 0.098 0.000 2.432 274 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 274 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 274 G C 1.485 176.537 174.900 0.254 0.000 1.135 274 G CA 0.293 45.499 45.100 0.177 0.000 0.767 274 G HN 0.201 nan 8.290 nan 0.000 0.550 275 F N 0.913 120.923 119.950 0.101 0.000 2.069 275 F HA -0.043 4.484 4.527 0.000 0.000 0.298 275 F C 2.291 178.166 175.800 0.125 0.000 1.113 275 F CA 1.318 59.419 58.000 0.168 0.000 1.214 275 F CB -0.415 38.709 39.000 0.206 0.000 0.978 275 F HN 0.119 nan 8.300 nan 0.000 0.474 276 L N 0.123 121.376 121.223 0.050 0.000 2.046 276 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 276 L C 2.210 178.998 176.870 -0.137 0.000 1.077 276 L CA 1.778 56.550 54.840 -0.114 0.000 0.747 276 L CB -0.840 41.169 42.059 -0.083 0.000 0.896 276 L HN 0.137 nan 8.230 nan 0.000 0.432 277 M N -1.387 118.182 119.600 -0.053 0.000 2.080 277 M HA -0.252 4.228 4.480 -0.000 0.000 0.260 277 M C 2.370 178.511 176.300 -0.265 0.000 1.068 277 M CA 1.876 57.132 55.300 -0.073 0.000 1.109 277 M CB -1.615 31.034 32.600 0.082 0.000 1.342 277 M HN 0.468 nan 8.290 nan 0.000 0.405 278 Y N 1.416 121.507 120.300 -0.347 0.000 2.097 278 Y HA -0.187 4.363 4.550 -0.000 0.000 0.282 278 Y C 2.126 177.784 175.900 -0.404 0.000 1.152 278 Y CA 1.646 59.389 58.100 -0.594 0.000 1.136 278 Y CB -0.912 37.425 38.460 -0.206 0.000 0.975 278 Y HN 0.110 nan 8.280 nan 0.000 0.498 279 L N -0.050 120.735 121.223 -0.730 0.000 2.187 279 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 279 L C 2.232 179.039 176.870 -0.105 0.000 1.100 279 L CA 1.276 55.784 54.840 -0.553 0.000 0.765 279 L CB -0.455 41.415 42.059 -0.314 0.000 0.904 279 L HN 0.362 nan 8.230 nan 0.000 0.437 280 L N -1.154 119.944 121.223 -0.208 0.000 2.567 280 L HA 0.051 4.391 4.340 -0.000 0.000 0.225 280 L C 1.586 178.403 176.870 -0.088 0.000 1.119 280 L CA -0.304 54.422 54.840 -0.191 0.000 0.871 280 L CB -0.011 41.874 42.059 -0.290 0.000 1.036 280 L HN 0.268 nan 8.230 nan 0.000 0.459 281 S N -0.416 115.134 115.700 -0.250 0.000 2.661 281 S HA 0.330 4.800 4.470 -0.000 0.000 0.265 281 S C 1.429 175.939 174.600 -0.151 0.000 1.225 281 S CA -0.024 58.046 58.200 -0.216 0.000 0.986 281 S CB 1.455 64.316 63.200 -0.564 0.000 1.008 281 S HN 0.107 nan 8.310 nan 0.000 0.565 282 A N -0.015 122.772 122.820 -0.054 0.000 2.070 282 A HA -0.053 4.267 4.320 -0.000 0.000 0.220 282 A C 1.742 179.320 177.584 -0.011 0.000 1.159 282 A CA 1.461 53.465 52.037 -0.055 0.000 0.656 282 A CB -0.884 18.126 19.000 0.016 0.000 0.800 282 A HN 0.877 nan 8.150 nan 0.000 0.453 283 D N -0.854 119.566 120.400 0.033 0.000 2.289 283 D HA -0.019 4.620 4.640 -0.000 0.000 0.207 283 D C 1.839 178.114 176.300 -0.041 0.000 0.966 283 D CA 1.135 55.198 54.000 0.105 0.000 0.868 283 D CB -0.003 41.009 40.800 0.354 0.000 0.943 283 D HN 0.485 nan 8.370 nan 0.000 0.514 284 G N 0.316 108.958 108.800 -0.263 0.000 2.939 284 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.210 284 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.210 284 G C 0.882 175.714 174.900 -0.114 0.000 1.160 284 G CA -0.262 44.613 45.100 -0.375 0.000 0.770 284 G HN 0.048 nan 8.290 nan 0.000 0.543 285 N N 1.120 119.777 118.700 -0.072 0.000 2.412 285 N HA 0.132 4.872 4.740 -0.000 0.000 0.254 285 N C 1.523 177.024 175.510 -0.016 0.000 1.232 285 N CA 0.497 53.532 53.050 -0.026 0.000 0.880 285 N CB 1.371 39.797 38.487 -0.102 0.000 1.076 285 N HN 0.040 nan 8.380 nan 0.000 0.458 286 A N 4.189 127.005 122.820 -0.006 0.000 2.121 286 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 286 A C 0.689 178.248 177.584 -0.041 0.000 1.154 286 A CA 0.505 52.497 52.037 -0.074 0.000 0.679 286 A CB -0.260 18.650 19.000 -0.151 0.000 0.795 286 A HN 0.602 nan 8.150 nan 0.000 0.458 287 F N 1.308 121.203 119.950 -0.090 0.000 2.390 287 F HA 0.411 4.938 4.527 -0.000 0.000 0.361 287 F C 0.933 176.674 175.800 -0.098 0.000 1.124 287 F CA -1.116 56.840 58.000 -0.072 0.000 1.149 287 F CB 0.606 39.584 39.000 -0.036 0.000 1.160 287 F HN 0.009 nan 8.300 nan 0.000 0.501 288 S N 6.504 122.146 115.700 -0.097 0.000 2.998 288 S HA -0.117 4.353 4.470 -0.000 0.000 0.348 288 S C 1.403 176.039 174.600 0.060 0.000 1.210 288 S CA -0.435 57.685 58.200 -0.134 0.000 1.118 288 S CB -0.165 62.731 63.200 -0.506 0.000 0.832 288 S HN 0.815 nan 8.310 nan 0.000 0.516 289 L N 6.369 127.609 121.223 0.029 0.000 2.127 289 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 289 L C 2.393 179.288 176.870 0.042 0.000 1.089 289 L CA 2.511 57.385 54.840 0.057 0.000 0.757 289 L CB -1.349 40.735 42.059 0.042 0.000 0.899 289 L HN 0.852 nan 8.230 nan 0.000 0.434 290 A N -1.787 121.002 122.820 -0.052 0.000 2.015 290 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 290 A C 1.824 179.413 177.584 0.008 0.000 1.163 290 A CA 1.437 53.441 52.037 -0.056 0.000 0.646 290 A CB -0.827 18.079 19.000 -0.156 0.000 0.806 290 A HN 0.643 nan 8.150 nan 0.000 0.448 291 H N -0.659 118.327 119.070 -0.141 0.000 2.539 291 H HA 0.173 4.729 4.556 -0.000 0.000 0.267 291 H C 1.140 176.634 175.328 0.275 0.000 0.982 291 H CA 0.324 56.311 56.048 -0.102 0.000 1.146 291 H CB -0.019 29.719 29.762 -0.040 0.000 1.382 291 H HN 0.455 nan 8.280 nan 0.000 0.577 292 R N 1.247 121.938 120.500 0.319 0.000 2.423 292 R HA 0.132 4.472 4.340 -0.000 0.000 0.248 292 R C -0.048 176.367 176.300 0.191 0.000 1.019 292 R CA -0.024 56.211 56.100 0.225 0.000 1.119 292 R CB 0.148 30.512 30.300 0.106 0.000 1.176 292 R HN 0.321 nan 8.270 nan 0.000 0.526 293 R N -2.442 118.214 120.500 0.259 0.000 2.740 293 R HA 0.318 4.658 4.340 -0.000 0.000 0.273 293 R C -0.935 175.554 176.300 0.315 0.000 0.998 293 R CA -0.964 55.274 56.100 0.229 0.000 0.900 293 R CB 1.048 31.451 30.300 0.173 0.000 1.223 293 R HN -0.230 nan 8.270 nan 0.000 0.466 294 V N 3.565 123.615 119.914 0.225 0.000 2.475 294 V HA -0.027 4.093 4.120 -0.000 0.000 0.292 294 V C -0.155 176.057 176.094 0.198 0.000 1.003 294 V CA 0.641 63.043 62.300 0.170 0.000 1.120 294 V CB -0.716 31.207 31.823 0.167 0.000 0.937 294 V HN 0.924 nan 8.190 nan 0.000 0.476 295 Y N 1.824 122.157 120.300 0.054 0.000 2.666 295 Y HA 0.494 5.044 4.550 -0.000 0.000 0.260 295 Y C 0.567 176.472 175.900 0.009 0.000 1.089 295 Y CA -0.752 57.372 58.100 0.040 0.000 1.246 295 Y CB -0.136 38.357 38.460 0.055 0.000 1.353 295 Y HN 0.473 nan 8.280 nan 0.000 0.558 296 Q N 1.286 120.776 119.800 -0.517 0.000 2.199 296 Q HA 0.145 4.485 4.340 -0.000 0.000 0.232 296 Q C -0.904 175.017 176.000 -0.131 0.000 0.969 296 Q CA -0.931 54.643 55.803 -0.381 0.000 0.925 296 Q CB 0.835 29.284 28.738 -0.482 0.000 1.198 296 Q HN 0.158 nan 8.270 nan 0.000 0.494 297 D N 1.319 121.677 120.400 -0.070 0.000 2.346 297 D HA 0.007 4.647 4.640 -0.000 0.000 0.260 297 D C -0.179 176.162 176.300 0.069 0.000 1.252 297 D CA 0.143 54.140 54.000 -0.006 0.000 0.895 297 D CB 0.639 41.431 40.800 -0.013 0.000 1.097 297 D HN 0.341 nan 8.370 nan 0.000 0.489 298 M N 2.648 122.251 119.600 0.006 0.000 2.626 298 M HA 0.121 4.601 4.480 -0.000 0.000 0.262 298 M C -0.009 176.257 176.300 -0.057 0.000 1.256 298 M CA -0.062 55.179 55.300 -0.097 0.000 0.981 298 M CB -0.021 32.442 32.600 -0.230 0.000 1.492 298 M HN 0.262 nan 8.290 nan 0.000 0.474 299 D N 0.181 120.603 120.400 0.036 0.000 2.431 299 D HA 0.145 4.784 4.640 -0.000 0.000 0.213 299 D C 0.497 176.794 176.300 -0.005 0.000 1.130 299 D CA 0.173 54.171 54.000 -0.004 0.000 0.834 299 D CB 0.965 41.757 40.800 -0.014 0.000 0.985 299 D HN 0.424 nan 8.370 nan 0.000 0.504 300 Q N 0.893 120.744 119.800 0.084 0.000 2.169 300 Q HA 0.390 4.730 4.340 -0.000 0.000 0.234 300 Q C -2.532 173.442 176.000 -0.043 0.000 0.980 300 Q CA -1.916 53.852 55.803 -0.058 0.000 0.941 300 Q CB 0.450 29.097 28.738 -0.151 0.000 1.199 300 Q HN -0.119 nan 8.270 nan 0.000 0.496 301 P HA 0.003 nan 4.420 nan 0.000 0.271 301 P C 0.535 177.853 177.300 0.031 0.000 1.216 301 P CA 0.154 63.118 63.100 -0.226 0.000 0.776 301 P CB 0.483 31.958 31.700 -0.375 0.000 0.881 302 L N 1.752 123.029 121.223 0.090 0.000 2.064 302 L HA -0.289 4.051 4.340 -0.000 0.000 0.216 302 L C 2.192 179.279 176.870 0.361 0.000 1.077 302 L CA 2.500 57.488 54.840 0.246 0.000 0.766 302 L CB -1.213 40.946 42.059 0.167 0.000 0.890 302 L HN 0.477 nan 8.230 nan 0.000 0.435 303 S N -2.009 113.850 115.700 0.265 0.000 2.493 303 S HA -0.198 4.272 4.470 -0.000 0.000 0.243 303 S C 1.427 176.203 174.600 0.293 0.000 0.991 303 S CA 0.860 59.225 58.200 0.275 0.000 0.957 303 S CB -0.757 62.588 63.200 0.242 0.000 0.756 303 S HN 0.582 nan 8.310 nan 0.000 0.521 304 H N -0.771 118.305 119.070 0.010 0.000 2.539 304 H HA 0.259 4.815 4.556 -0.000 0.000 0.269 304 H C -0.539 174.518 175.328 -0.452 0.000 0.980 304 H CA -0.066 55.837 56.048 -0.243 0.000 1.152 304 H CB 0.204 29.743 29.762 -0.372 0.000 1.407 304 H HN 0.459 nan 8.280 nan 0.000 0.564 305 Y N 0.326 120.694 120.300 0.113 0.000 2.549 305 Y HA 0.334 4.884 4.550 -0.000 0.000 0.339 305 Y C -0.040 175.890 175.900 0.051 0.000 1.053 305 Y CA -0.966 57.173 58.100 0.065 0.000 1.105 305 Y CB 1.568 40.127 38.460 0.166 0.000 1.258 305 Y HN -0.122 nan 8.280 nan 0.000 0.478 306 L N 2.484 123.788 121.223 0.135 0.000 2.334 306 L HA 0.581 4.921 4.340 -0.000 0.000 0.277 306 L C -0.910 176.122 176.870 0.270 0.000 1.075 306 L CA -0.892 54.007 54.840 0.099 0.000 0.804 306 L CB 1.046 42.942 42.059 -0.271 0.000 1.174 306 L HN 0.323 nan 8.230 nan 0.000 0.438 307 V N 1.732 121.783 119.914 0.229 0.000 2.540 307 V HA 0.183 4.303 4.120 -0.000 0.000 0.302 307 V C 0.206 176.146 176.094 -0.257 0.000 1.035 307 V CA -0.621 61.605 62.300 -0.123 0.000 0.873 307 V CB 1.823 33.546 31.823 -0.166 0.000 0.992 307 V HN 0.789 nan 8.190 nan 0.000 0.428 308 S N 3.478 118.635 115.700 -0.906 0.000 2.509 308 S HA 0.304 4.774 4.470 -0.000 0.000 0.287 308 S C 0.177 174.673 174.600 -0.174 0.000 1.248 308 S CA -0.085 57.622 58.200 -0.822 0.000 1.089 308 S CB -0.149 62.514 63.200 -0.897 0.000 0.900 308 S HN 0.833 nan 8.310 nan 0.000 0.496 309 S N 3.562 119.355 115.700 0.155 0.000 2.536 309 S HA 0.568 5.038 4.470 -0.000 0.000 0.287 309 S C -0.700 173.870 174.600 -0.050 0.000 1.101 309 S CA -0.802 57.418 58.200 0.035 0.000 0.950 309 S CB 1.902 65.194 63.200 0.154 0.000 1.056 309 S HN 0.661 nan 8.310 nan 0.000 0.481 310 S N 1.429 116.981 115.700 -0.248 0.000 2.501 310 S HA 0.452 4.922 4.470 -0.000 0.000 0.301 310 S C -1.070 173.481 174.600 -0.082 0.000 1.096 310 S CA -0.644 57.364 58.200 -0.320 0.000 1.063 310 S CB 0.750 63.567 63.200 -0.639 0.000 1.042 310 S HN 0.810 nan 8.310 nan 0.000 0.494 311 H N 3.678 122.670 119.070 -0.130 0.000 2.459 311 H HA 0.287 4.843 4.556 -0.000 0.000 0.332 311 H C -0.348 174.833 175.328 -0.244 0.000 1.094 311 H CA -0.182 55.800 56.048 -0.109 0.000 1.224 311 H CB 0.342 30.083 29.762 -0.034 0.000 1.449 311 H HN 0.856 nan 8.280 nan 0.000 0.484 312 N N 3.699 121.939 118.700 -0.766 0.000 2.705 312 N HA -0.172 4.568 4.740 -0.000 0.000 0.255 312 N C 0.939 175.829 175.510 -1.034 0.000 1.008 312 N CA 1.292 53.735 53.050 -1.011 0.000 0.742 312 N CB -1.234 36.483 38.487 -1.283 0.000 0.906 312 N HN 0.730 nan 8.380 nan 0.000 0.541 313 T N -1.509 112.644 114.554 -0.668 0.000 2.751 313 T HA -0.287 4.063 4.350 -0.000 0.000 0.268 313 T C 1.556 175.700 174.700 -0.928 0.000 1.045 313 T CA 1.985 63.652 62.100 -0.721 0.000 1.142 313 T CB -0.440 68.011 68.868 -0.695 0.000 0.851 313 T HN 0.718 nan 8.240 nan 0.000 0.474 314 Y N 0.951 120.832 120.300 -0.698 0.000 2.483 314 Y HA 0.269 4.819 4.550 -0.000 0.000 0.291 314 Y C 0.830 176.610 175.900 -0.201 0.000 1.143 314 Y CA -0.319 57.528 58.100 -0.421 0.000 1.289 314 Y CB -1.067 37.430 38.460 0.062 0.000 0.983 314 Y HN 0.139 nan 8.280 nan 0.000 0.556 315 L N 1.545 122.471 121.223 -0.495 0.000 2.349 315 L HA 0.171 4.511 4.340 -0.000 0.000 0.275 315 L C 0.819 177.583 176.870 -0.177 0.000 1.115 315 L CA -0.304 54.380 54.840 -0.259 0.000 0.820 315 L CB 1.518 43.353 42.059 -0.374 0.000 1.135 315 L HN 0.264 nan 8.230 nan 0.000 0.445 316 L N 1.528 122.705 121.223 -0.077 0.000 2.515 316 L HA 0.180 4.520 4.340 -0.000 0.000 0.223 316 L C 1.037 177.879 176.870 -0.048 0.000 1.079 316 L CA 0.515 55.321 54.840 -0.057 0.000 0.857 316 L CB 0.259 42.306 42.059 -0.021 0.000 1.050 316 L HN 0.742 nan 8.230 nan 0.000 0.476 317 E N -0.800 119.378 120.200 -0.037 0.000 4.442 317 E HA 0.098 4.448 4.350 -0.000 0.000 0.185 317 E C -0.708 175.876 176.600 -0.028 0.000 1.080 317 E CA -0.716 55.669 56.400 -0.025 0.000 0.993 317 E CB 0.229 29.928 29.700 -0.001 0.000 1.905 317 E HN 0.093 nan 8.360 nan 0.000 0.416 318 D N 0.751 121.152 120.400 0.001 0.000 2.384 318 D HA -0.041 4.599 4.640 -0.000 0.000 0.244 318 D C 0.456 176.774 176.300 0.030 0.000 1.251 318 D CA 0.012 54.021 54.000 0.015 0.000 0.961 318 D CB 0.804 41.625 40.800 0.036 0.000 1.116 318 D HN 0.167 nan 8.370 nan 0.000 0.484 319 Q N -0.237 119.598 119.800 0.057 0.000 2.425 319 Q HA 0.134 4.474 4.340 -0.000 0.000 0.204 319 Q C 1.728 177.919 176.000 0.319 0.000 0.933 319 Q CA 0.300 56.176 55.803 0.121 0.000 0.939 319 Q CB 0.446 29.256 28.738 0.120 0.000 1.044 319 Q HN 0.557 nan 8.270 nan 0.000 0.513 320 L N -0.644 120.698 121.223 0.197 0.000 2.445 320 L HA 0.098 4.438 4.340 -0.000 0.000 0.207 320 L C 1.695 178.674 176.870 0.181 0.000 1.053 320 L CA 1.484 56.429 54.840 0.175 0.000 0.841 320 L CB 0.171 42.279 42.059 0.081 0.000 1.074 320 L HN 0.149 nan 8.230 nan 0.000 0.479 321 T N -3.884 110.755 114.554 0.142 0.000 3.186 321 T HA 0.244 4.594 4.350 -0.000 0.000 0.292 321 T C 0.759 175.535 174.700 0.127 0.000 0.915 321 T CA 0.190 62.385 62.100 0.158 0.000 0.902 321 T CB 0.124 69.051 68.868 0.099 0.000 1.192 321 T HN 0.104 nan 8.240 nan 0.000 0.563 322 G N 2.738 111.601 108.800 0.106 0.000 2.653 322 G HA2 0.578 4.538 3.960 -0.000 0.000 0.265 322 G HA3 0.578 4.538 3.960 -0.000 0.000 0.265 322 G C -2.674 172.282 174.900 0.093 0.000 1.237 322 G CA -1.299 43.848 45.100 0.078 0.000 0.946 322 G HN 0.258 nan 8.290 nan 0.000 0.522 323 P HA 0.319 nan 4.420 nan 0.000 0.279 323 P C -0.671 176.686 177.300 0.095 0.000 1.252 323 P CA -0.328 62.818 63.100 0.077 0.000 0.811 323 P CB 1.692 33.422 31.700 0.051 0.000 1.035 324 S N -0.017 115.759 115.700 0.127 0.000 2.607 324 S HA 0.691 5.161 4.470 -0.000 0.000 0.303 324 S C -0.519 174.160 174.600 0.131 0.000 1.086 324 S CA -0.405 57.902 58.200 0.179 0.000 0.995 324 S CB 1.273 64.640 63.200 0.279 0.000 1.084 324 S HN 0.622 nan 8.310 nan 0.000 0.507 325 S N -0.011 115.775 115.700 0.142 0.000 2.558 325 S HA 0.315 4.785 4.470 -0.000 0.000 0.277 325 S C 0.811 175.511 174.600 0.167 0.000 1.143 325 S CA -0.098 58.171 58.200 0.116 0.000 0.865 325 S CB 0.606 63.842 63.200 0.059 0.000 1.102 325 S HN 0.820 nan 8.310 nan 0.000 0.454 326 T N 0.961 115.602 114.554 0.145 0.000 2.881 326 T HA -0.093 4.256 4.350 -0.000 0.000 0.270 326 T C 1.456 176.222 174.700 0.110 0.000 1.068 326 T CA 1.726 63.926 62.100 0.167 0.000 1.131 326 T CB -0.544 68.352 68.868 0.045 0.000 0.871 326 T HN 0.720 nan 8.240 nan 0.000 0.479 327 E N 2.066 122.289 120.200 0.038 0.000 2.118 327 E HA -0.074 4.276 4.350 -0.000 0.000 0.195 327 E C 2.330 178.906 176.600 -0.042 0.000 0.992 327 E CA 1.234 57.619 56.400 -0.026 0.000 0.804 327 E CB -0.772 28.913 29.700 -0.026 0.000 0.741 327 E HN 0.610 nan 8.360 nan 0.000 0.458 328 A N -0.359 122.443 122.820 -0.030 0.000 1.940 328 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 328 A C 1.909 179.380 177.584 -0.187 0.000 1.176 328 A CA 1.623 53.585 52.037 -0.124 0.000 0.631 328 A CB -0.916 17.974 19.000 -0.185 0.000 0.814 328 A HN 0.485 nan 8.150 nan 0.000 0.446 329 Y N -0.471 119.770 120.300 -0.098 0.000 2.263 329 Y HA -0.036 4.514 4.550 -0.000 0.000 0.292 329 Y C 2.217 178.008 175.900 -0.181 0.000 1.130 329 Y CA 1.225 59.249 58.100 -0.128 0.000 1.179 329 Y CB -0.276 38.123 38.460 -0.102 0.000 0.998 329 Y HN 0.208 nan 8.280 nan 0.000 0.532 330 I N -0.512 120.003 120.570 -0.092 0.000 2.142 330 I HA -0.331 3.839 4.170 -0.000 0.000 0.240 330 I C 2.450 178.417 176.117 -0.250 0.000 1.078 330 I CA 1.296 62.377 61.300 -0.365 0.000 1.343 330 I CB -0.309 37.337 38.000 -0.589 0.000 1.046 330 I HN 0.058 nan 8.210 nan 0.000 0.405 331 R N 0.755 121.162 120.500 -0.155 0.000 2.112 331 R HA -0.228 4.112 4.340 -0.000 0.000 0.242 331 R C 2.395 178.687 176.300 -0.014 0.000 1.137 331 R CA 2.127 58.185 56.100 -0.070 0.000 0.944 331 R CB -0.715 29.559 30.300 -0.043 0.000 0.857 331 R HN 0.440 nan 8.270 nan 0.000 0.435 332 A N 0.301 123.094 122.820 -0.046 0.000 1.908 332 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 332 A C 2.203 179.746 177.584 -0.068 0.000 1.181 332 A CA 1.415 53.411 52.037 -0.068 0.000 0.627 332 A CB -0.643 18.152 19.000 -0.340 0.000 0.818 332 A HN 0.292 nan 8.150 nan 0.000 0.445 333 L N -1.004 120.175 121.223 -0.073 0.000 2.093 333 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 333 L C 2.502 179.395 176.870 0.037 0.000 1.085 333 L CA 1.060 55.881 54.840 -0.031 0.000 0.755 333 L CB -0.420 41.633 42.059 -0.009 0.000 0.904 333 L HN 0.493 nan 8.230 nan 0.000 0.435 334 C N -0.358 118.965 119.300 0.038 0.000 2.456 334 C HA -0.097 4.363 4.460 -0.000 0.000 0.279 334 C C 2.249 177.297 174.990 0.096 0.000 1.427 334 C CA 0.516 59.581 59.018 0.078 0.000 1.778 334 C CB -0.840 26.930 27.740 0.049 0.000 1.842 334 C HN 0.357 nan 8.230 nan 0.000 0.531 335 K N 0.129 120.605 120.400 0.127 0.000 2.437 335 K HA 0.241 4.561 4.320 -0.000 0.000 0.198 335 K C 1.358 178.085 176.600 0.211 0.000 1.024 335 K CA 0.624 57.023 56.287 0.186 0.000 1.148 335 K CB 0.104 32.772 32.500 0.280 0.000 0.860 335 K HN 0.465 nan 8.250 nan 0.000 0.515 336 G N 1.236 110.121 108.800 0.142 0.000 2.157 336 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.248 336 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.248 336 G C 0.318 175.241 174.900 0.038 0.000 0.979 336 G CA -0.099 45.068 45.100 0.112 0.000 0.650 336 G HN 0.419 nan 8.290 nan 0.000 0.529 337 C N 1.205 120.500 119.300 -0.009 0.000 2.596 337 C HA 0.509 4.969 4.460 -0.000 0.000 0.414 337 C C 1.987 176.874 174.990 -0.172 0.000 1.396 337 C CA 0.331 59.225 59.018 -0.206 0.000 1.698 337 C CB 0.115 27.500 27.740 -0.591 0.000 2.572 337 C HN 0.493 nan 8.230 nan 0.000 0.604 338 R N 2.726 123.109 120.500 -0.195 0.000 2.225 338 R HA 0.165 4.505 4.340 -0.000 0.000 0.194 338 R C 0.276 176.525 176.300 -0.084 0.000 0.957 338 R CA 0.468 56.500 56.100 -0.114 0.000 1.042 338 R CB -0.395 29.800 30.300 -0.175 0.000 1.004 338 R HN 0.665 nan 8.270 nan 0.000 0.509 339 C N 2.984 122.212 119.300 -0.120 0.000 2.251 339 C HA 0.570 5.030 4.460 -0.000 0.000 0.323 339 C C 0.091 175.033 174.990 -0.081 0.000 1.241 339 C CA -0.696 58.290 59.018 -0.053 0.000 1.601 339 C CB -0.389 27.341 27.740 -0.016 0.000 2.251 339 C HN 0.197 nan 8.230 nan 0.000 0.488 340 L N 3.300 124.509 121.223 -0.023 0.000 2.313 340 L HA 0.693 5.033 4.340 -0.000 0.000 0.268 340 L C -0.148 176.772 176.870 0.082 0.000 1.010 340 L CA -0.584 54.260 54.840 0.007 0.000 0.814 340 L CB 1.259 43.380 42.059 0.103 0.000 1.304 340 L HN 0.485 nan 8.230 nan 0.000 0.441 341 E N 1.588 121.854 120.200 0.111 0.000 2.210 341 E HA 0.588 4.938 4.350 -0.000 0.000 0.266 341 E C -1.652 175.151 176.600 0.338 0.000 0.883 341 E CA -0.717 55.778 56.400 0.158 0.000 0.761 341 E CB 2.566 32.302 29.700 0.060 0.000 1.156 341 E HN 0.225 nan 8.360 nan 0.000 0.412 342 L N 3.102 124.493 121.223 0.281 0.000 2.343 342 L HA 0.328 4.668 4.340 -0.000 0.000 0.278 342 L C -0.933 176.046 176.870 0.182 0.000 0.996 342 L CA -0.607 54.406 54.840 0.288 0.000 0.831 342 L CB 1.414 43.593 42.059 0.200 0.000 1.232 342 L HN 0.373 nan 8.230 nan 0.000 0.413 343 D N 2.296 122.759 120.400 0.105 0.000 2.443 343 D HA 0.323 4.963 4.640 -0.000 0.000 0.221 343 D C -0.684 175.639 176.300 0.038 0.000 1.097 343 D CA -0.175 53.872 54.000 0.080 0.000 0.865 343 D CB 0.843 41.754 40.800 0.185 0.000 1.034 343 D HN 0.399 nan 8.370 nan 0.000 0.511 344 C N 2.747 121.993 119.300 -0.090 0.000 2.307 344 C HA 0.627 5.087 4.460 -0.000 0.000 0.340 344 C C -0.099 174.649 174.990 -0.404 0.000 1.275 344 C CA -1.193 57.757 59.018 -0.113 0.000 1.811 344 C CB -0.956 26.713 27.740 -0.119 0.000 2.372 344 C HN 0.516 nan 8.230 nan 0.000 0.531 345 W N 0.419 121.747 121.300 0.047 0.000 2.882 345 W HA 0.427 5.087 4.660 -0.000 0.000 0.345 345 W C -0.393 176.143 176.519 0.028 0.000 1.125 345 W CA -0.497 56.886 57.345 0.063 0.000 1.167 345 W CB 0.609 30.161 29.460 0.154 0.000 1.431 345 W HN 0.477 nan 8.180 nan 0.000 0.543 346 D N 0.683 121.223 120.400 0.234 0.000 2.455 346 D HA 0.399 5.039 4.640 -0.000 0.000 0.241 346 D C 0.401 176.772 176.300 0.118 0.000 1.138 346 D CA 0.818 54.888 54.000 0.116 0.000 0.877 346 D CB 0.875 41.728 40.800 0.089 0.000 1.187 346 D HN 0.482 nan 8.370 nan 0.000 0.451 347 G N 1.219 110.059 108.800 0.067 0.000 2.714 347 G HA2 0.598 4.558 3.960 -0.000 0.000 0.292 347 G HA3 0.598 4.558 3.960 -0.000 0.000 0.292 347 G C -2.740 172.170 174.900 0.017 0.000 1.308 347 G CA -1.320 43.803 45.100 0.038 0.000 0.964 347 G HN 0.238 nan 8.290 nan 0.000 0.484 348 P HA 0.091 nan 4.420 nan 0.000 0.270 348 P C 0.200 177.505 177.300 0.008 0.000 1.223 348 P CA 0.185 63.283 63.100 -0.004 0.000 0.785 348 P CB 0.443 32.133 31.700 -0.017 0.000 0.923 349 N N 0.705 119.408 118.700 0.006 0.000 2.735 349 N HA -0.251 4.489 4.740 -0.000 0.000 0.248 349 N C -0.263 175.259 175.510 0.020 0.000 1.083 349 N CA 0.923 53.980 53.050 0.012 0.000 0.703 349 N CB -1.316 37.179 38.487 0.014 0.000 1.005 349 N HN 0.329 nan 8.380 nan 0.000 0.550 350 Q N -1.845 117.964 119.800 0.015 0.000 2.461 350 Q HA -0.216 4.124 4.340 -0.000 0.000 0.273 350 Q C -1.337 174.685 176.000 0.037 0.000 1.163 350 Q CA 1.556 57.367 55.803 0.014 0.000 0.929 350 Q CB -0.909 27.830 28.738 0.001 0.000 1.334 350 Q HN 0.596 nan 8.270 nan 0.000 0.499 351 E N 0.344 120.576 120.200 0.053 0.000 2.145 351 E HA 0.365 4.715 4.350 -0.000 0.000 0.262 351 E C -2.438 174.210 176.600 0.080 0.000 0.883 351 E CA -2.119 54.340 56.400 0.097 0.000 0.748 351 E CB 1.252 31.007 29.700 0.091 0.000 1.140 351 E HN -0.004 nan 8.360 nan 0.000 0.417 352 P HA 0.096 nan 4.420 nan 0.000 0.268 352 P C -0.007 177.367 177.300 0.123 0.000 1.205 352 P CA 0.174 63.294 63.100 0.032 0.000 0.771 352 P CB 0.408 32.007 31.700 -0.169 0.000 0.858 353 I N -0.334 120.328 120.570 0.153 0.000 3.100 353 I HA 0.650 4.820 4.170 -0.000 0.000 0.312 353 I C -0.473 175.805 176.117 0.269 0.000 1.063 353 I CA -1.338 60.073 61.300 0.186 0.000 1.031 353 I CB 1.845 39.923 38.000 0.130 0.000 1.243 353 I HN 0.091 nan 8.210 nan 0.000 0.483 354 I N 2.500 123.204 120.570 0.223 0.000 2.533 354 I HA 0.559 4.729 4.170 -0.000 0.000 0.290 354 I C -1.181 175.000 176.117 0.106 0.000 1.056 354 I CA -0.590 60.789 61.300 0.133 0.000 1.057 354 I CB 2.064 40.074 38.000 0.018 0.000 1.240 354 I HN 0.808 nan 8.210 nan 0.000 0.423 355 Y N 3.477 123.601 120.300 -0.294 0.000 2.891 355 Y HA 0.313 4.863 4.550 -0.000 0.000 0.361 355 Y C -1.354 174.480 175.900 -0.111 0.000 1.255 355 Y CA -1.248 56.694 58.100 -0.264 0.000 1.103 355 Y CB 0.765 39.150 38.460 -0.126 0.000 1.454 355 Y HN 0.516 nan 8.280 nan 0.000 0.449 356 H N 1.489 120.427 119.070 -0.220 0.000 2.846 356 H HA 0.423 4.979 4.556 -0.000 0.000 0.278 356 H C 0.624 175.566 175.328 -0.643 0.000 1.117 356 H CA -0.181 55.780 56.048 -0.146 0.000 1.406 356 H CB 0.392 30.241 29.762 0.145 0.000 1.445 356 H HN 1.122 nan 8.280 nan 0.000 0.469 357 G N 3.595 111.959 108.800 -0.728 0.000 2.187 357 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.239 357 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.239 357 G C -0.538 173.848 174.900 -0.855 0.000 1.200 357 G CA 0.170 44.511 45.100 -1.266 0.000 0.888 357 G HN 0.947 nan 8.290 nan 0.000 0.482 358 Y N -0.919 119.025 120.300 -0.593 0.000 4.272 358 Y HA -0.278 4.272 4.550 -0.000 0.000 0.232 358 Y C 1.419 177.239 175.900 -0.134 0.000 1.149 358 Y CA 1.141 59.076 58.100 -0.275 0.000 1.961 358 Y CB -2.604 35.743 38.460 -0.190 0.000 1.611 358 Y HN 1.125 nan 8.280 nan 0.000 0.682 359 T N -5.466 109.087 114.554 -0.001 0.000 2.716 359 T HA 0.733 5.083 4.350 -0.000 0.000 0.286 359 T C -0.115 174.822 174.700 0.396 0.000 1.052 359 T CA -0.695 61.541 62.100 0.227 0.000 1.024 359 T CB 1.009 69.942 68.868 0.109 0.000 1.349 359 T HN -0.146 nan 8.240 nan 0.000 0.525 360 F N 1.492 121.478 119.950 0.061 0.000 2.668 360 F HA 0.293 4.820 4.527 -0.000 0.000 0.297 360 F C 1.580 177.427 175.800 0.078 0.000 1.124 360 F CA -0.854 57.174 58.000 0.046 0.000 1.353 360 F CB -0.742 38.274 39.000 0.026 0.000 0.992 360 F HN 0.751 nan 8.300 nan 0.000 0.524 361 T N -1.411 113.330 114.554 0.312 0.000 2.926 361 T HA 0.260 4.609 4.350 -0.000 0.000 0.307 361 T C 0.769 175.585 174.700 0.193 0.000 1.059 361 T CA -0.524 61.737 62.100 0.269 0.000 1.122 361 T CB 1.130 70.203 68.868 0.343 0.000 0.972 361 T HN 0.272 nan 8.240 nan 0.000 0.545 362 S N 2.096 117.876 115.700 0.134 0.000 2.580 362 S HA 0.287 4.757 4.470 -0.000 0.000 0.266 362 S C -0.206 174.436 174.600 0.071 0.000 1.354 362 S CA -0.473 57.763 58.200 0.059 0.000 1.008 362 S CB 0.088 63.321 63.200 0.055 0.000 0.898 362 S HN 0.830 nan 8.310 nan 0.000 0.555 363 K N 0.508 120.900 120.400 -0.013 0.000 2.295 363 K HA 0.812 5.132 4.320 -0.000 0.000 0.239 363 K C -0.372 176.246 176.600 0.030 0.000 0.991 363 K CA -0.788 55.493 56.287 -0.010 0.000 0.845 363 K CB 1.513 33.905 32.500 -0.179 0.000 1.197 363 K HN 0.798 nan 8.250 nan 0.000 0.441 364 I N -2.769 117.835 120.570 0.057 0.000 3.181 364 I HA 0.427 4.597 4.170 -0.000 0.000 0.311 364 I C -1.374 174.777 176.117 0.057 0.000 1.287 364 I CA -1.380 59.953 61.300 0.055 0.000 0.958 364 I CB 1.296 39.349 38.000 0.088 0.000 1.294 364 I HN 0.303 nan 8.210 nan 0.000 0.467 365 L N 1.982 123.225 121.223 0.033 0.000 2.326 365 L HA 0.310 4.650 4.340 -0.000 0.000 0.278 365 L C 0.736 177.624 176.870 0.031 0.000 1.092 365 L CA -0.333 54.531 54.840 0.039 0.000 0.810 365 L CB 1.269 43.327 42.059 -0.001 0.000 1.153 365 L HN 0.711 nan 8.230 nan 0.000 0.439 366 F N 3.106 123.012 119.950 -0.074 0.000 2.126 366 F HA -0.293 4.234 4.527 -0.000 0.000 0.299 366 F C 2.520 178.206 175.800 -0.191 0.000 1.096 366 F CA 2.049 59.987 58.000 -0.103 0.000 1.255 366 F CB -0.023 38.949 39.000 -0.047 0.000 0.997 366 F HN 0.720 nan 8.300 nan 0.000 0.479 367 C N -0.075 119.114 119.300 -0.185 0.000 2.429 367 C HA -0.140 4.320 4.460 -0.000 0.000 0.277 367 C C 2.434 177.245 174.990 -0.299 0.000 1.262 367 C CA 0.947 59.715 59.018 -0.416 0.000 1.733 367 C CB -1.420 25.927 27.740 -0.655 0.000 2.010 367 C HN 0.442 nan 8.230 nan 0.000 0.483 368 D N 1.305 121.586 120.400 -0.198 0.000 2.149 368 D HA -0.090 4.550 4.640 -0.000 0.000 0.198 368 D C 2.404 178.584 176.300 -0.199 0.000 0.990 368 D CA 1.375 55.288 54.000 -0.145 0.000 0.839 368 D CB -0.455 40.296 40.800 -0.082 0.000 0.948 368 D HN 0.449 nan 8.370 nan 0.000 0.460 369 V N 1.046 120.789 119.914 -0.285 0.000 2.295 369 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 369 V C 2.637 178.451 176.094 -0.467 0.000 1.049 369 V CA 1.121 63.158 62.300 -0.438 0.000 1.024 369 V CB -0.442 31.023 31.823 -0.597 0.000 0.648 369 V HN 0.246 nan 8.190 nan 0.000 0.447 370 L N -0.605 120.319 121.223 -0.498 0.000 2.079 370 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 370 L C 2.777 179.509 176.870 -0.230 0.000 1.081 370 L CA 1.732 56.330 54.840 -0.403 0.000 0.752 370 L CB -0.616 41.185 42.059 -0.430 0.000 0.896 370 L HN 0.319 nan 8.230 nan 0.000 0.433 371 R N -0.277 120.113 120.500 -0.183 0.000 2.075 371 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 371 R C 2.473 178.745 176.300 -0.046 0.000 1.126 371 R CA 1.197 57.241 56.100 -0.094 0.000 0.963 371 R CB -0.431 29.826 30.300 -0.070 0.000 0.858 371 R HN 0.323 nan 8.270 nan 0.000 0.435 372 A N 1.408 124.195 122.820 -0.055 0.000 1.908 372 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 372 A C 2.162 179.785 177.584 0.064 0.000 1.181 372 A CA 1.317 53.378 52.037 0.040 0.000 0.627 372 A CB -0.521 18.459 19.000 -0.034 0.000 0.818 372 A HN 0.181 nan 8.150 nan 0.000 0.445 373 I N -0.976 119.543 120.570 -0.086 0.000 2.179 373 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 373 I C 2.728 178.803 176.117 -0.070 0.000 1.088 373 I CA 1.684 62.927 61.300 -0.094 0.000 1.357 373 I CB -0.310 37.575 38.000 -0.192 0.000 1.051 373 I HN 0.397 nan 8.210 nan 0.000 0.409 374 R N 1.004 121.463 120.500 -0.069 0.000 2.091 374 R HA -0.218 4.122 4.340 -0.000 0.000 0.238 374 R C 1.643 177.926 176.300 -0.030 0.000 1.136 374 R CA 2.157 58.231 56.100 -0.044 0.000 0.959 374 R CB -0.270 30.009 30.300 -0.033 0.000 0.856 374 R HN 0.309 nan 8.270 nan 0.000 0.437 375 D N -0.899 119.494 120.400 -0.012 0.000 2.264 375 D HA -0.129 4.511 4.640 -0.000 0.000 0.208 375 D C 0.750 176.899 176.300 -0.253 0.000 0.966 375 D CA 1.199 55.134 54.000 -0.109 0.000 0.864 375 D CB 0.069 40.814 40.800 -0.091 0.000 0.933 375 D HN 0.393 nan 8.370 nan 0.000 0.499 376 Y N -0.465 119.792 120.300 -0.072 0.000 2.471 376 Y HA 0.398 4.948 4.550 -0.000 0.000 0.249 376 Y C 2.004 177.812 175.900 -0.153 0.000 1.116 376 Y CA -0.217 57.839 58.100 -0.072 0.000 1.240 376 Y CB 0.122 38.553 38.460 -0.048 0.000 1.251 376 Y HN -0.140 nan 8.280 nan 0.000 0.527 377 A N 0.329 123.044 122.820 -0.174 0.000 1.971 377 A HA -0.231 4.089 4.320 -0.000 0.000 0.222 377 A C 1.071 178.201 177.584 -0.756 0.000 1.182 377 A CA 2.155 53.844 52.037 -0.580 0.000 0.649 377 A CB -0.930 17.492 19.000 -0.963 0.000 0.818 377 A HN 0.424 nan 8.150 nan 0.000 0.458 378 F N -1.490 118.480 119.950 0.033 0.000 2.735 378 F HA 0.284 4.811 4.527 -0.000 0.000 0.308 378 F C 1.391 177.199 175.800 0.013 0.000 1.112 378 F CA -0.052 57.957 58.000 0.015 0.000 1.235 378 F CB 0.145 39.132 39.000 -0.022 0.000 1.027 378 F HN 0.200 nan 8.300 nan 0.000 0.528 379 K N 1.517 121.989 120.400 0.120 0.000 2.097 379 K HA -0.066 4.254 4.320 -0.000 0.000 0.206 379 K C 1.892 178.560 176.600 0.113 0.000 1.049 379 K CA 1.708 58.052 56.287 0.096 0.000 0.933 379 K CB -0.035 32.525 32.500 0.101 0.000 0.717 379 K HN 0.220 nan 8.250 nan 0.000 0.442 380 A N -0.329 122.568 122.820 0.127 0.000 2.197 380 A HA 0.201 4.521 4.320 -0.000 0.000 0.210 380 A C 0.577 178.251 177.584 0.149 0.000 1.180 380 A CA 0.316 52.428 52.037 0.126 0.000 0.846 380 A CB 0.288 19.360 19.000 0.120 0.000 0.884 380 A HN 0.276 nan 8.150 nan 0.000 0.487 381 S N -1.502 114.309 115.700 0.185 0.000 2.552 381 S HA 0.504 4.974 4.470 -0.000 0.000 0.272 381 S C -2.832 171.914 174.600 0.244 0.000 1.150 381 S CA -0.502 57.828 58.200 0.217 0.000 0.849 381 S CB 1.780 65.158 63.200 0.297 0.000 1.113 381 S HN -0.065 nan 8.310 nan 0.000 0.458 382 P HA 0.195 nan 4.420 nan 0.000 0.252 382 P C -0.221 176.892 177.300 -0.312 0.000 1.218 382 P CA 0.121 63.081 63.100 -0.233 0.000 0.807 382 P CB -0.053 31.346 31.700 -0.502 0.000 1.072 383 Y N 2.783 123.165 120.300 0.135 0.000 2.379 383 Y HA 0.193 4.743 4.550 -0.000 0.000 0.337 383 Y C -1.380 174.692 175.900 0.286 0.000 1.238 383 Y CA -2.624 55.509 58.100 0.054 0.000 1.405 383 Y CB -0.986 37.421 38.460 -0.087 0.000 1.310 383 Y HN -0.043 nan 8.280 nan 0.000 0.569 384 P HA -0.069 nan 4.420 nan 0.000 0.264 384 P C -0.628 176.908 177.300 0.393 0.000 1.179 384 P CA 0.294 63.611 63.100 0.361 0.000 0.763 384 P CB 0.659 32.468 31.700 0.182 0.000 0.806 385 V N 5.224 125.298 119.914 0.266 0.000 2.472 385 V HA 0.361 4.481 4.120 -0.000 0.000 0.290 385 V C 0.650 176.817 176.094 0.122 0.000 1.037 385 V CA -0.616 61.751 62.300 0.111 0.000 0.908 385 V CB 1.298 33.074 31.823 -0.078 0.000 0.985 385 V HN 0.371 nan 8.190 nan 0.000 0.454 386 I N 5.623 126.254 120.570 0.101 0.000 2.406 386 I HA 0.444 4.614 4.170 -0.000 0.000 0.290 386 I C -0.734 175.430 176.117 0.077 0.000 0.999 386 I CA -0.484 60.882 61.300 0.110 0.000 1.124 386 I CB 1.681 39.761 38.000 0.133 0.000 1.289 386 I HN 0.296 nan 8.210 nan 0.000 0.441 387 L N 5.181 126.451 121.223 0.079 0.000 2.287 387 L HA 0.400 4.740 4.340 -0.000 0.000 0.287 387 L C 0.086 177.008 176.870 0.085 0.000 1.022 387 L CA -0.336 54.546 54.840 0.070 0.000 0.814 387 L CB 1.630 43.715 42.059 0.045 0.000 1.217 387 L HN 0.526 nan 8.230 nan 0.000 0.420 388 S N 4.386 120.141 115.700 0.092 0.000 2.430 388 S HA 0.536 5.006 4.470 -0.000 0.000 0.289 388 S C -0.183 174.468 174.600 0.085 0.000 1.143 388 S CA -0.507 57.745 58.200 0.087 0.000 1.067 388 S CB 0.267 63.522 63.200 0.091 0.000 0.964 388 S HN 0.340 nan 8.310 nan 0.000 0.485 389 L N 4.011 125.270 121.223 0.059 0.000 2.272 389 L HA 0.488 4.828 4.340 -0.000 0.000 0.289 389 L C 0.444 177.293 176.870 -0.035 0.000 1.032 389 L CA -0.327 54.537 54.840 0.041 0.000 0.810 389 L CB 1.066 43.150 42.059 0.042 0.000 1.205 389 L HN 0.538 nan 8.230 nan 0.000 0.422 390 E N 3.537 123.703 120.200 -0.057 0.000 2.055 390 E HA 0.127 4.477 4.350 -0.000 0.000 0.274 390 E C -0.906 175.480 176.600 -0.357 0.000 0.949 390 E CA -0.558 55.740 56.400 -0.169 0.000 0.775 390 E CB 0.969 30.645 29.700 -0.040 0.000 1.097 390 E HN 0.421 nan 8.360 nan 0.000 0.404 391 N N 3.183 121.595 118.700 -0.479 0.000 2.439 391 N HA 0.078 4.818 4.740 -0.000 0.000 0.249 391 N C -0.707 174.332 175.510 -0.786 0.000 1.003 391 N CA -0.129 52.610 53.050 -0.519 0.000 0.942 391 N CB 0.472 38.770 38.487 -0.314 0.000 1.115 391 N HN 0.518 nan 8.380 nan 0.000 0.505 392 H N 1.716 120.404 119.070 -0.638 0.000 2.512 392 H HA 0.248 4.804 4.556 -0.000 0.000 0.276 392 H C -0.115 174.959 175.328 -0.423 0.000 1.126 392 H CA -0.330 55.291 56.048 -0.713 0.000 1.060 392 H CB 0.095 28.828 29.762 -1.713 0.000 1.646 392 H HN 0.385 nan 8.280 nan 0.000 0.571 393 C N 2.426 121.580 119.300 -0.244 0.000 2.466 393 C HA 0.291 4.751 4.460 -0.000 0.000 0.379 393 C C 1.421 176.355 174.990 -0.094 0.000 1.251 393 C CA -0.380 58.553 59.018 -0.141 0.000 2.263 393 C CB 0.849 28.482 27.740 -0.179 0.000 2.511 393 C HN 0.655 nan 8.230 nan 0.000 0.573 394 S N 2.880 118.551 115.700 -0.049 0.000 2.587 394 S HA 0.127 4.597 4.470 -0.000 0.000 0.260 394 S C 1.110 175.675 174.600 -0.058 0.000 1.353 394 S CA -0.266 57.913 58.200 -0.036 0.000 0.995 394 S CB 0.227 63.417 63.200 -0.016 0.000 0.912 394 S HN 0.648 nan 8.310 nan 0.000 0.568 395 L N 0.086 121.281 121.223 -0.048 0.000 2.046 395 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 395 L C 3.007 179.841 176.870 -0.059 0.000 1.077 395 L CA 2.046 56.854 54.840 -0.054 0.000 0.747 395 L CB -0.868 41.166 42.059 -0.041 0.000 0.896 395 L HN 0.812 nan 8.230 nan 0.000 0.432 396 E N 0.611 120.782 120.200 -0.049 0.000 2.023 396 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 396 E C 2.153 178.712 176.600 -0.068 0.000 1.003 396 E CA 1.644 58.014 56.400 -0.051 0.000 0.809 396 E CB -0.195 29.483 29.700 -0.037 0.000 0.755 396 E HN 0.372 nan 8.360 nan 0.000 0.449 397 Q N -0.282 119.477 119.800 -0.068 0.000 2.226 397 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 397 Q C 2.298 178.212 176.000 -0.144 0.000 0.975 397 Q CA 1.272 57.021 55.803 -0.090 0.000 0.866 397 Q CB -0.104 28.593 28.738 -0.069 0.000 0.915 397 Q HN 0.493 nan 8.270 nan 0.000 0.440 398 Q N 0.241 119.959 119.800 -0.136 0.000 2.084 398 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 398 Q C 2.062 177.979 176.000 -0.138 0.000 0.978 398 Q CA 0.946 56.653 55.803 -0.160 0.000 0.844 398 Q CB -0.046 28.616 28.738 -0.127 0.000 0.898 398 Q HN 0.276 nan 8.270 nan 0.000 0.426 399 R N -0.144 120.291 120.500 -0.107 0.000 2.091 399 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 399 R C 2.313 178.542 176.300 -0.118 0.000 1.136 399 R CA 1.275 57.318 56.100 -0.094 0.000 0.959 399 R CB -0.274 29.980 30.300 -0.076 0.000 0.856 399 R HN 0.093 nan 8.270 nan 0.000 0.437 400 V N 1.112 120.942 119.914 -0.139 0.000 2.332 400 V HA -0.318 3.801 4.120 -0.000 0.000 0.248 400 V C 2.288 178.266 176.094 -0.192 0.000 1.055 400 V CA 1.897 64.079 62.300 -0.197 0.000 1.038 400 V CB -0.374 31.363 31.823 -0.145 0.000 0.651 400 V HN 0.354 nan 8.190 nan 0.000 0.450 401 M N -0.115 119.374 119.600 -0.185 0.000 2.073 401 M HA -0.217 4.263 4.480 -0.000 0.000 0.258 401 M C 2.407 178.737 176.300 0.050 0.000 1.070 401 M CA 2.391 57.554 55.300 -0.227 0.000 1.103 401 M CB -0.680 31.578 32.600 -0.569 0.000 1.321 401 M HN 0.393 nan 8.290 nan 0.000 0.405 402 A N 0.223 123.025 122.820 -0.029 0.000 1.940 402 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 402 A C 2.128 179.729 177.584 0.028 0.000 1.176 402 A CA 1.905 53.952 52.037 0.015 0.000 0.631 402 A CB -0.684 18.301 19.000 -0.025 0.000 0.814 402 A HN 0.444 nan 8.150 nan 0.000 0.446 403 R N -1.605 118.873 120.500 -0.038 0.000 2.073 403 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 403 R C 2.270 178.578 176.300 0.013 0.000 1.134 403 R CA 1.506 57.566 56.100 -0.066 0.000 0.952 403 R CB -0.458 29.733 30.300 -0.181 0.000 0.850 403 R HN 0.634 nan 8.270 nan 0.000 0.433 404 H N 0.667 119.799 119.070 0.103 0.000 2.352 404 H HA -0.115 4.441 4.556 -0.000 0.000 0.299 404 H C 2.219 177.611 175.328 0.107 0.000 1.097 404 H CA 1.399 57.526 56.048 0.132 0.000 1.311 404 H CB -0.347 29.576 29.762 0.269 0.000 1.377 404 H HN 0.154 nan 8.280 nan 0.000 0.504 405 L N 0.083 121.476 121.223 0.283 0.000 1.990 405 L HA -0.227 4.113 4.340 -0.000 0.000 0.213 405 L C 2.925 179.853 176.870 0.097 0.000 1.072 405 L CA 1.433 56.371 54.840 0.165 0.000 0.755 405 L CB -0.315 41.845 42.059 0.168 0.000 0.889 405 L HN 0.138 nan 8.230 nan 0.000 0.432 406 R N -0.658 119.892 120.500 0.084 0.000 2.066 406 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 406 R C 2.367 178.697 176.300 0.051 0.000 1.131 406 R CA 1.411 57.543 56.100 0.053 0.000 0.955 406 R CB -0.346 29.974 30.300 0.034 0.000 0.851 406 R HN 0.392 nan 8.270 nan 0.000 0.432 407 A N 0.842 123.700 122.820 0.064 0.000 1.877 407 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 407 A C 2.084 179.702 177.584 0.055 0.000 1.186 407 A CA 1.317 53.390 52.037 0.060 0.000 0.620 407 A CB -0.447 18.600 19.000 0.079 0.000 0.822 407 A HN 0.240 nan 8.150 nan 0.000 0.443 408 I N -1.107 119.502 120.570 0.064 0.000 2.235 408 I HA -0.135 4.035 4.170 -0.000 0.000 0.241 408 I C 2.107 178.233 176.117 0.015 0.000 1.085 408 I CA 0.723 62.040 61.300 0.029 0.000 1.378 408 I CB -0.421 37.579 38.000 0.001 0.000 1.076 408 I HN 0.173 nan 8.210 nan 0.000 0.415 409 L N 0.833 122.068 121.223 0.020 0.000 2.141 409 L HA 0.061 4.401 4.340 -0.000 0.000 0.209 409 L C 1.684 178.576 176.870 0.037 0.000 1.094 409 L CA 1.483 56.338 54.840 0.025 0.000 0.763 409 L CB -1.716 40.362 42.059 0.031 0.000 0.908 409 L HN 0.481 nan 8.230 nan 0.000 0.437 410 G N 0.229 109.050 108.800 0.035 0.000 2.596 410 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.295 410 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.295 410 G C -1.349 173.572 174.900 0.034 0.000 1.240 410 G CA 0.261 45.379 45.100 0.031 0.000 0.985 410 G HN 0.241 nan 8.290 nan 0.000 0.555 411 P HA 0.086 nan 4.420 nan 0.000 0.234 411 P C 1.905 179.227 177.300 0.037 0.000 1.167 411 P CA 1.170 64.285 63.100 0.025 0.000 0.763 411 P CB -0.027 31.680 31.700 0.012 0.000 0.835 412 I N -0.755 119.849 120.570 0.058 0.000 2.353 412 I HA -0.131 4.039 4.170 -0.000 0.000 0.248 412 I C 1.374 177.551 176.117 0.101 0.000 1.119 412 I CA 0.156 61.514 61.300 0.096 0.000 1.417 412 I CB -0.416 37.678 38.000 0.158 0.000 1.078 412 I HN -0.049 nan 8.210 nan 0.000 0.421 413 L N 1.852 123.122 121.223 0.080 0.000 2.499 413 L HA 0.080 4.420 4.340 -0.000 0.000 0.273 413 L C -0.284 176.631 176.870 0.074 0.000 1.195 413 L CA 0.304 55.190 54.840 0.078 0.000 0.882 413 L CB 0.360 42.456 42.059 0.061 0.000 1.133 413 L HN 0.048 nan 8.230 nan 0.000 0.483 414 L N 5.517 126.794 121.223 0.091 0.000 2.260 414 L HA 0.399 4.739 4.340 -0.000 0.000 0.289 414 L C 0.049 176.961 176.870 0.070 0.000 1.057 414 L CA 0.210 55.107 54.840 0.094 0.000 0.811 414 L CB 0.479 42.624 42.059 0.144 0.000 1.184 414 L HN 0.845 nan 8.230 nan 0.000 0.429 415 D N 2.303 122.729 120.400 0.044 0.000 2.503 415 D HA 0.146 4.786 4.640 -0.000 0.000 0.218 415 D C -0.208 176.087 176.300 -0.009 0.000 1.183 415 D CA -0.043 53.967 54.000 0.016 0.000 0.827 415 D CB 0.410 41.219 40.800 0.015 0.000 1.034 415 D HN 0.394 nan 8.370 nan 0.000 0.510 416 Q N 0.485 120.283 119.800 -0.003 0.000 2.377 416 Q HA 0.399 4.739 4.340 -0.000 0.000 0.279 416 Q C -2.809 173.179 176.000 -0.020 0.000 1.049 416 Q CA -1.572 54.216 55.803 -0.026 0.000 0.825 416 Q CB 2.680 31.415 28.738 -0.006 0.000 1.401 416 Q HN -0.032 nan 8.270 nan 0.000 0.404 417 P HA 0.064 nan 4.420 nan 0.000 0.270 417 P C -0.421 176.957 177.300 0.130 0.000 1.221 417 P CA -0.143 62.927 63.100 -0.050 0.000 0.788 417 P CB 0.508 32.165 31.700 -0.071 0.000 0.904 418 L N 1.286 122.693 121.223 0.307 0.000 2.350 418 L HA 0.180 4.520 4.340 -0.000 0.000 0.275 418 L C 0.515 177.468 176.870 0.138 0.000 1.099 418 L CA -0.122 54.839 54.840 0.201 0.000 0.808 418 L CB 0.441 42.613 42.059 0.188 0.000 1.149 418 L HN 0.321 nan 8.230 nan 0.000 0.442 419 D N 2.107 122.555 120.400 0.081 0.000 2.382 419 D HA 0.365 5.005 4.640 -0.000 0.000 0.259 419 D C 0.871 177.204 176.300 0.054 0.000 1.224 419 D CA 1.701 55.736 54.000 0.058 0.000 0.894 419 D CB 0.591 41.413 40.800 0.036 0.000 1.127 419 D HN 0.704 nan 8.370 nan 0.000 0.487 420 G N 2.212 111.048 108.800 0.059 0.000 2.195 420 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.246 420 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.246 420 G C 0.402 175.336 174.900 0.058 0.000 0.984 420 G CA -0.015 45.114 45.100 0.049 0.000 0.633 420 G HN 0.548 nan 8.290 nan 0.000 0.525 421 V N 2.727 122.698 119.914 0.094 0.000 2.381 421 V HA 0.448 4.568 4.120 -0.000 0.000 0.257 421 V C 1.517 177.721 176.094 0.183 0.000 1.057 421 V CA 1.527 63.892 62.300 0.109 0.000 1.013 421 V CB 0.580 32.512 31.823 0.180 0.000 1.069 421 V HN 0.733 nan 8.190 nan 0.000 0.484 422 T N -0.344 114.279 114.554 0.116 0.000 3.115 422 T HA -0.016 4.334 4.350 -0.000 0.000 0.256 422 T C 1.358 176.209 174.700 0.253 0.000 0.970 422 T CA 0.669 62.886 62.100 0.194 0.000 1.010 422 T CB 0.352 69.296 68.868 0.126 0.000 1.151 422 T HN 0.605 nan 8.240 nan 0.000 0.479 423 T N -1.199 113.375 114.554 0.033 0.000 3.040 423 T HA 0.512 4.862 4.350 -0.000 0.000 0.266 423 T C 0.445 174.890 174.700 -0.425 0.000 1.005 423 T CA -0.251 61.865 62.100 0.028 0.000 0.906 423 T CB 0.316 69.214 68.868 0.051 0.000 1.082 423 T HN 0.243 nan 8.240 nan 0.000 0.531 424 S N -0.087 115.073 115.700 -0.900 0.000 2.651 424 S HA 0.686 5.156 4.470 -0.000 0.000 0.279 424 S C -0.923 172.973 174.600 -1.172 0.000 1.148 424 S CA -0.833 56.766 58.200 -1.003 0.000 0.837 424 S CB 1.446 64.393 63.200 -0.421 0.000 1.138 424 S HN 0.377 nan 8.310 nan 0.000 0.478 425 L N 2.940 123.791 121.223 -0.621 0.000 2.439 425 L HA 0.316 4.656 4.340 -0.000 0.000 0.269 425 L C -2.027 174.647 176.870 -0.327 0.000 1.179 425 L CA -1.595 53.090 54.840 -0.259 0.000 0.828 425 L CB 0.452 42.512 42.059 0.002 0.000 1.106 425 L HN 0.429 nan 8.230 nan 0.000 0.467 426 P HA 0.051 nan 4.420 nan 0.000 0.272 426 P C -0.902 176.264 177.300 -0.223 0.000 1.254 426 P CA -0.459 62.447 63.100 -0.324 0.000 0.795 426 P CB 0.521 31.977 31.700 -0.407 0.000 1.022 427 S N -0.862 114.730 115.700 -0.181 0.000 2.713 427 S HA 0.434 4.904 4.470 -0.000 0.000 0.283 427 S C -1.968 172.492 174.600 -0.234 0.000 1.161 427 S CA -1.350 56.750 58.200 -0.167 0.000 0.999 427 S CB 0.721 63.849 63.200 -0.120 0.000 1.039 427 S HN 0.158 nan 8.310 nan 0.000 0.548 428 P HA -0.055 nan 4.420 nan 0.000 0.217 428 P C 1.434 178.673 177.300 -0.101 0.000 1.150 428 P CA 1.010 63.812 63.100 -0.497 0.000 0.832 428 P CB 0.066 31.097 31.700 -1.114 0.000 0.787 429 E N -0.171 119.989 120.200 -0.067 0.000 2.077 429 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 429 E C 2.047 178.623 176.600 -0.040 0.000 0.989 429 E CA 1.299 57.721 56.400 0.037 0.000 0.800 429 E CB -0.469 29.238 29.700 0.011 0.000 0.746 429 E HN 0.423 nan 8.360 nan 0.000 0.452 430 Q N -0.227 119.530 119.800 -0.072 0.000 2.226 430 Q HA -0.043 4.297 4.340 -0.000 0.000 0.204 430 Q C 1.726 177.687 176.000 -0.066 0.000 0.975 430 Q CA 0.724 56.485 55.803 -0.070 0.000 0.866 430 Q CB 0.076 28.762 28.738 -0.086 0.000 0.915 430 Q HN 0.207 nan 8.270 nan 0.000 0.440 431 L N 0.242 121.420 121.223 -0.075 0.000 2.700 431 L HA 0.169 4.509 4.340 -0.000 0.000 0.234 431 L C 0.323 177.161 176.870 -0.053 0.000 1.156 431 L CA -0.301 54.513 54.840 -0.045 0.000 0.946 431 L CB 0.224 42.260 42.059 -0.039 0.000 1.216 431 L HN -0.032 nan 8.230 nan 0.000 0.493 432 K N 1.003 121.342 120.400 -0.102 0.000 2.511 432 K HA 0.084 4.404 4.320 -0.000 0.000 0.280 432 K C 1.247 177.664 176.600 -0.306 0.000 1.008 432 K CA 1.058 57.212 56.287 -0.221 0.000 1.050 432 K CB 0.337 32.673 32.500 -0.273 0.000 0.889 432 K HN 0.285 nan 8.250 nan 0.000 0.484 433 G N 2.662 111.126 108.800 -0.560 0.000 2.189 433 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.267 433 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.267 433 G C -0.174 174.496 174.900 -0.384 0.000 0.975 433 G CA 0.353 44.901 45.100 -0.920 0.000 0.644 433 G HN 0.491 nan 8.290 nan 0.000 0.537 434 K N -0.211 120.180 120.400 -0.016 0.000 2.166 434 K HA 0.775 5.095 4.320 -0.000 0.000 0.245 434 K C 0.205 177.015 176.600 0.350 0.000 0.967 434 K CA -0.918 55.472 56.287 0.172 0.000 0.863 434 K CB 1.674 34.235 32.500 0.102 0.000 1.107 434 K HN 0.222 nan 8.250 nan 0.000 0.436 435 I N 2.774 123.494 120.570 0.249 0.000 2.433 435 I HA 0.362 4.532 4.170 -0.000 0.000 0.292 435 I C -0.405 175.800 176.117 0.147 0.000 1.001 435 I CA -1.052 60.355 61.300 0.179 0.000 1.119 435 I CB 1.349 39.414 38.000 0.108 0.000 1.289 435 I HN 0.365 nan 8.210 nan 0.000 0.438 436 L N 5.506 126.817 121.223 0.147 0.000 2.381 436 L HA 0.714 5.054 4.340 -0.000 0.000 0.268 436 L C -1.475 175.474 176.870 0.132 0.000 0.997 436 L CA -0.828 54.104 54.840 0.153 0.000 0.818 436 L CB 1.836 44.018 42.059 0.205 0.000 1.310 436 L HN 0.417 nan 8.230 nan 0.000 0.416 437 L N 2.854 124.148 121.223 0.118 0.000 2.325 437 L HA 0.601 4.941 4.340 -0.000 0.000 0.279 437 L C -0.028 176.905 176.870 0.104 0.000 1.054 437 L CA -0.539 54.360 54.840 0.098 0.000 0.804 437 L CB 1.336 43.441 42.059 0.077 0.000 1.200 437 L HN 0.655 nan 8.230 nan 0.000 0.436 438 K N 1.880 122.337 120.400 0.095 0.000 2.345 438 K HA 0.795 5.115 4.320 -0.000 0.000 0.255 438 K C -0.724 175.910 176.600 0.057 0.000 0.934 438 K CA -0.221 56.122 56.287 0.093 0.000 0.801 438 K CB 2.115 34.681 32.500 0.111 0.000 1.137 438 K HN 0.860 nan 8.250 nan 0.000 0.424 439 G N 2.532 111.354 108.800 0.037 0.000 2.321 439 G HA2 0.135 4.095 3.960 -0.000 0.000 0.296 439 G HA3 0.135 4.095 3.960 -0.000 0.000 0.296 439 G C -1.524 173.364 174.900 -0.020 0.000 1.287 439 G CA -0.845 44.252 45.100 -0.005 0.000 0.846 439 G HN 0.401 nan 8.290 nan 0.000 0.508 440 K N 0.464 120.831 120.400 -0.054 0.000 2.326 440 K HA 0.349 4.669 4.320 -0.000 0.000 0.275 440 K C -0.307 176.266 176.600 -0.045 0.000 1.018 440 K CA -0.000 56.251 56.287 -0.060 0.000 0.962 440 K CB 1.534 33.982 32.500 -0.087 0.000 0.953 440 K HN 0.463 nan 8.250 nan 0.000 0.475 441 K N 3.081 123.460 120.400 -0.034 0.000 2.371 441 K HA 0.311 4.631 4.320 -0.000 0.000 0.251 441 K C -0.129 176.452 176.600 -0.033 0.000 0.934 441 K CA -0.651 55.615 56.287 -0.034 0.000 0.798 441 K CB 1.172 33.655 32.500 -0.029 0.000 1.204 441 K HN 0.421 nan 8.250 nan 0.000 0.427 488 L N 1.926 123.118 121.223 -0.052 0.000 2.406 488 L HA 0.560 4.900 4.340 -0.000 0.000 0.272 488 L C -0.659 176.178 176.870 -0.055 0.000 0.980 488 L CA -1.033 53.769 54.840 -0.063 0.000 0.831 488 L CB 1.621 43.642 42.059 -0.064 0.000 1.253 488 L HN 0.001 nan 8.230 nan 0.000 0.406 489 V N 4.000 123.877 119.914 -0.060 0.000 2.811 489 V HA 0.438 4.558 4.120 -0.000 0.000 0.302 489 V C -1.904 174.160 176.094 -0.049 0.000 1.063 489 V CA -0.677 61.592 62.300 -0.053 0.000 1.088 489 V CB 0.615 32.404 31.823 -0.057 0.000 0.982 489 V HN 0.802 nan 8.190 nan 0.000 0.485 490 P HA -0.063 nan 4.420 nan 0.000 0.217 490 P C 1.483 178.759 177.300 -0.039 0.000 1.150 490 P CA 1.424 64.501 63.100 -0.040 0.000 0.832 490 P CB 0.197 31.876 31.700 -0.035 0.000 0.787 491 E N -0.731 119.446 120.200 -0.039 0.000 2.114 491 E HA -0.190 4.160 4.350 -0.000 0.000 0.199 491 E C 1.933 178.514 176.600 -0.031 0.000 1.008 491 E CA 1.188 57.567 56.400 -0.035 0.000 0.810 491 E CB -0.830 28.846 29.700 -0.040 0.000 0.739 491 E HN 0.229 nan 8.360 nan 0.000 0.456 492 L N -0.709 120.490 121.223 -0.040 0.000 2.130 492 L HA -0.047 4.293 4.340 -0.000 0.000 0.200 492 L C 2.471 179.320 176.870 -0.034 0.000 1.075 492 L CA 0.867 55.685 54.840 -0.035 0.000 0.768 492 L CB -0.421 41.605 42.059 -0.055 0.000 0.933 492 L HN 0.127 nan 8.230 nan 0.000 0.451 493 S N -0.075 115.599 115.700 -0.043 0.000 2.387 493 S HA -0.230 4.240 4.470 -0.000 0.000 0.230 493 S C 1.482 176.054 174.600 -0.046 0.000 1.035 493 S CA 1.783 59.956 58.200 -0.044 0.000 1.014 493 S CB -0.293 62.879 63.200 -0.047 0.000 0.836 493 S HN 0.380 nan 8.310 nan 0.000 0.466 494 D N 0.550 120.924 120.400 -0.044 0.000 2.348 494 D HA 0.031 4.671 4.640 -0.000 0.000 0.216 494 D C 1.564 177.837 176.300 -0.045 0.000 0.970 494 D CA 0.745 54.716 54.000 -0.049 0.000 0.889 494 D CB -0.187 40.588 40.800 -0.042 0.000 0.912 494 D HN 0.513 nan 8.370 nan 0.000 0.524 495 M N -0.102 119.480 119.600 -0.029 0.000 2.541 495 M HA 0.031 4.511 4.480 -0.000 0.000 0.252 495 M C 0.036 176.328 176.300 -0.012 0.000 1.125 495 M CA 0.184 55.476 55.300 -0.013 0.000 1.091 495 M CB 0.733 33.339 32.600 0.010 0.000 1.420 495 M HN -0.194 nan 8.290 nan 0.000 0.486 496 I N 1.653 122.209 120.570 -0.024 0.000 2.363 496 I HA 0.012 4.182 4.170 -0.000 0.000 0.292 496 I C 0.863 176.939 176.117 -0.068 0.000 1.075 496 I CA 0.135 61.426 61.300 -0.016 0.000 1.333 496 I CB 0.004 37.996 38.000 -0.013 0.000 1.415 496 I HN 0.173 nan 8.210 nan 0.000 0.502 497 I N 5.649 126.171 120.570 -0.080 0.000 3.196 497 I HA -0.042 4.128 4.170 -0.000 0.000 0.248 497 I C 1.231 177.151 176.117 -0.330 0.000 1.105 497 I CA 1.113 62.243 61.300 -0.283 0.000 1.482 497 I CB -0.768 36.986 38.000 -0.411 0.000 1.400 497 I HN 0.408 nan 8.210 nan 0.000 0.464 498 Y N 0.349 120.725 120.300 0.126 0.000 2.467 498 Y HA 0.244 4.794 4.550 -0.000 0.000 0.250 498 Y C 0.735 176.770 175.900 0.225 0.000 1.155 498 Y CA -0.380 57.853 58.100 0.222 0.000 1.249 498 Y CB 0.254 38.868 38.460 0.257 0.000 1.146 498 Y HN 0.104 nan 8.280 nan 0.000 0.524 499 C N 1.389 120.854 119.300 0.275 0.000 3.414 499 C HA 0.249 4.708 4.460 -0.000 0.000 0.208 499 C C 0.213 175.297 174.990 0.156 0.000 1.422 499 C CA -1.461 57.692 59.018 0.225 0.000 1.437 499 C CB -1.084 26.779 27.740 0.207 0.000 1.850 499 C HN 0.204 nan 8.230 nan 0.000 0.481 500 K N 1.608 122.108 120.400 0.166 0.000 2.349 500 K HA 0.209 4.529 4.320 -0.000 0.000 0.289 500 K C 0.353 177.002 176.600 0.082 0.000 1.064 500 K CA 0.299 56.654 56.287 0.112 0.000 0.947 500 K CB 0.475 33.065 32.500 0.150 0.000 1.007 500 K HN 0.477 nan 8.250 nan 0.000 0.478 501 S N 2.929 118.651 115.700 0.036 0.000 2.544 501 S HA 0.117 4.587 4.470 -0.000 0.000 0.290 501 S C -0.582 173.993 174.600 -0.041 0.000 1.276 501 S CA -0.434 57.765 58.200 -0.001 0.000 1.075 501 S CB 0.334 63.507 63.200 -0.044 0.000 0.849 501 S HN 0.425 nan 8.310 nan 0.000 0.494 502 V N 5.309 125.200 119.914 -0.038 0.000 3.007 502 V HA 0.371 4.491 4.120 -0.000 0.000 0.311 502 V C -0.706 175.340 176.094 -0.081 0.000 1.120 502 V CA -0.958 61.307 62.300 -0.057 0.000 0.980 502 V CB 2.175 34.019 31.823 0.035 0.000 1.033 502 V HN 0.813 nan 8.190 nan 0.000 0.429 503 H N 2.257 121.331 119.070 0.007 0.000 2.582 503 H HA 0.252 4.808 4.556 -0.000 0.000 0.345 503 H C -0.376 174.949 175.328 -0.004 0.000 1.104 503 H CA -0.227 55.814 56.048 -0.013 0.000 1.390 503 H CB 1.044 30.789 29.762 -0.028 0.000 1.461 503 H HN 0.509 nan 8.280 nan 0.000 0.551 504 F N 2.843 122.748 119.950 -0.076 0.000 2.557 504 F HA 0.128 4.655 4.527 -0.000 0.000 0.384 504 F C 1.091 176.818 175.800 -0.122 0.000 1.057 504 F CA -0.261 57.639 58.000 -0.167 0.000 1.169 504 F CB 0.290 39.099 39.000 -0.319 0.000 1.070 504 F HN 0.605 nan 8.300 nan 0.000 0.554 505 G N 3.591 111.954 108.800 -0.727 0.000 2.518 505 G HA2 0.429 4.389 3.960 -0.000 0.000 0.213 505 G HA3 0.429 4.389 3.960 -0.000 0.000 0.213 505 G C 0.471 174.571 174.900 -1.333 0.000 1.226 505 G CA 0.554 45.208 45.100 -0.743 0.000 0.822 505 G HN 1.241 nan 8.290 nan 0.000 0.546 506 G N -1.866 105.971 108.800 -1.606 0.000 2.317 506 G HA2 0.408 4.368 3.960 -0.000 0.000 0.293 506 G HA3 0.408 4.368 3.960 -0.000 0.000 0.293 506 G C -1.797 172.751 174.900 -0.587 0.000 1.287 506 G CA -0.970 43.327 45.100 -1.338 0.000 0.850 506 G HN 0.193 nan 8.290 nan 0.000 0.515 507 F N 1.862 121.814 119.950 0.003 0.000 2.388 507 F HA 0.650 5.177 4.527 -0.000 0.000 0.358 507 F C 1.229 177.061 175.800 0.054 0.000 1.122 507 F CA -0.320 57.725 58.000 0.075 0.000 1.056 507 F CB 1.651 40.716 39.000 0.108 0.000 1.155 507 F HN 0.656 nan 8.300 nan 0.000 0.461 508 S N 1.447 117.287 115.700 0.233 0.000 3.530 508 S HA 0.631 5.101 4.470 -0.000 0.000 0.180 508 S C 0.917 175.613 174.600 0.159 0.000 0.889 508 S CA 0.772 59.057 58.200 0.143 0.000 1.478 508 S CB 0.857 64.115 63.200 0.097 0.000 0.612 508 S HN 0.655 nan 8.310 nan 0.000 0.615 509 S N 0.170 115.952 115.700 0.136 0.000 6.975 509 S HA 0.184 4.654 4.470 -0.000 0.000 0.064 509 S C -2.187 172.474 174.600 0.101 0.000 1.373 509 S CA 0.382 58.654 58.200 0.120 0.000 1.206 509 S CB -1.654 61.604 63.200 0.098 0.000 1.504 509 S HN 0.598 nan 8.310 nan 0.000 0.539 510 P HA 0.357 nan 4.420 nan 0.000 0.330 510 P C 0.542 177.887 177.300 0.076 0.000 1.377 510 P CA 0.778 63.921 63.100 0.071 0.000 0.793 510 P CB -0.439 31.295 31.700 0.057 0.000 1.813 511 G N -1.043 107.796 108.800 0.065 0.000 3.882 511 G HA2 0.458 4.418 3.960 -0.000 0.000 0.283 511 G HA3 0.458 4.418 3.960 -0.000 0.000 0.283 511 G C -0.684 174.247 174.900 0.052 0.000 1.283 511 G CA -0.143 44.996 45.100 0.065 0.000 1.402 511 G HN 0.638 nan 8.290 nan 0.000 0.618 512 T N -3.472 111.112 114.554 0.049 0.000 3.291 512 T HA 0.627 4.977 4.350 -0.000 0.000 0.344 512 T C -0.042 174.677 174.700 0.032 0.000 1.293 512 T CA 0.163 62.283 62.100 0.033 0.000 1.108 512 T CB 1.716 70.600 68.868 0.025 0.000 1.231 512 T HN 0.489 nan 8.240 nan 0.000 0.474 513 S N 1.445 117.153 115.700 0.014 0.000 4.159 513 S HA -0.148 4.322 4.470 -0.000 0.000 0.514 513 S C 1.192 175.809 174.600 0.029 0.000 1.865 513 S CA 1.419 59.614 58.200 -0.008 0.000 4.250 513 S CB -1.826 61.362 63.200 -0.020 0.000 0.202 513 S HN 2.399 nan 8.310 nan 0.000 0.454 514 G N 4.264 113.121 108.800 0.097 0.000 2.444 514 G HA2 0.234 4.194 3.960 -0.000 0.000 0.289 514 G HA3 0.234 4.194 3.960 -0.000 0.000 0.289 514 G C 0.137 175.165 174.900 0.214 0.000 0.814 514 G CA 0.882 46.121 45.100 0.232 0.000 1.820 514 G HN 0.684 nan 8.290 nan 0.000 0.453 515 Q N -0.120 119.799 119.800 0.198 0.000 2.471 515 Q HA -0.087 4.253 4.340 -0.000 0.000 0.375 515 Q C 1.028 177.041 176.000 0.022 0.000 1.396 515 Q CA 1.158 57.030 55.803 0.115 0.000 1.054 515 Q CB 0.256 29.113 28.738 0.198 0.000 1.264 515 Q HN 0.723 nan 8.270 nan 0.000 0.465 516 A N 1.398 124.099 122.820 -0.198 0.000 2.386 516 A HA 0.196 4.516 4.320 -0.000 0.000 0.248 516 A C 0.769 178.089 177.584 -0.440 0.000 1.082 516 A CA 0.070 51.814 52.037 -0.488 0.000 0.789 516 A CB -0.119 18.149 19.000 -1.221 0.000 1.025 516 A HN 0.714 nan 8.150 nan 0.000 0.490 517 F N 0.662 120.471 119.950 -0.234 0.000 2.202 517 F HA -0.220 4.307 4.527 -0.000 0.000 0.301 517 F C 1.308 177.118 175.800 0.016 0.000 1.082 517 F CA 1.483 59.455 58.000 -0.046 0.000 1.313 517 F CB -1.164 37.873 39.000 0.063 0.000 1.024 517 F HN 0.585 nan 8.300 nan 0.000 0.495 518 Y N 0.120 120.152 120.300 -0.446 0.000 2.496 518 Y HA 0.540 5.090 4.550 -0.000 0.000 0.313 518 Y C -0.396 175.498 175.900 -0.009 0.000 1.184 518 Y CA -1.395 56.633 58.100 -0.120 0.000 1.275 518 Y CB -1.421 36.827 38.460 -0.354 0.000 1.103 518 Y HN 0.217 nan 8.280 nan 0.000 0.513 519 E N 1.583 121.722 120.200 -0.101 0.000 2.272 519 E HA 0.468 4.818 4.350 -0.000 0.000 0.269 519 E C -1.471 175.206 176.600 0.129 0.000 0.877 519 E CA -0.989 55.434 56.400 0.038 0.000 0.755 519 E CB 2.179 31.839 29.700 -0.067 0.000 1.192 519 E HN 0.364 nan 8.360 nan 0.000 0.422 520 M N 2.804 122.502 119.600 0.164 0.000 2.321 520 M HA 0.663 5.143 4.480 -0.000 0.000 0.315 520 M C -1.517 174.901 176.300 0.197 0.000 1.052 520 M CA -0.443 54.986 55.300 0.215 0.000 0.936 520 M CB 1.376 34.103 32.600 0.212 0.000 1.639 520 M HN 0.629 nan 8.290 nan 0.000 0.433 521 A N 3.041 126.024 122.820 0.271 0.000 2.281 521 A HA 0.893 5.213 4.320 -0.000 0.000 0.329 521 A C -0.850 176.788 177.584 0.089 0.000 1.122 521 A CA -0.591 51.520 52.037 0.123 0.000 0.850 521 A CB 1.233 20.308 19.000 0.124 0.000 1.207 521 A HN 0.803 nan 8.150 nan 0.000 0.495 522 S N -0.578 115.025 115.700 -0.161 0.000 2.542 522 S HA 0.839 5.309 4.470 -0.000 0.000 0.293 522 S C -1.403 173.031 174.600 -0.277 0.000 1.089 522 S CA -0.215 58.018 58.200 0.054 0.000 0.961 522 S CB 0.925 64.273 63.200 0.247 0.000 1.062 522 S HN 0.454 nan 8.310 nan 0.000 0.483 523 F N 0.963 121.012 119.950 0.165 0.000 2.569 523 F HA 0.502 5.029 4.527 -0.000 0.000 0.312 523 F C 0.672 176.131 175.800 -0.570 0.000 1.109 523 F CA -0.955 57.003 58.000 -0.071 0.000 0.919 523 F CB 1.502 40.473 39.000 -0.048 0.000 1.211 523 F HN 0.587 nan 8.300 nan 0.000 0.446 524 S N 0.312 115.693 115.700 -0.531 0.000 2.600 524 S HA 0.135 4.605 4.470 -0.000 0.000 0.265 524 S C 1.222 175.502 174.600 -0.533 0.000 1.325 524 S CA -0.086 57.514 58.200 -1.000 0.000 1.002 524 S CB 1.153 64.105 63.200 -0.415 0.000 0.921 524 S HN 0.890 nan 8.310 nan 0.000 0.554 525 E N 1.263 121.104 120.200 -0.598 0.000 2.070 525 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 525 E C 1.819 178.253 176.600 -0.276 0.000 1.004 525 E CA 1.960 58.025 56.400 -0.559 0.000 0.805 525 E CB -0.521 28.789 29.700 -0.650 0.000 0.744 525 E HN 0.799 nan 8.360 nan 0.000 0.451 526 S N 0.784 116.386 115.700 -0.162 0.000 2.348 526 S HA -0.213 4.257 4.470 -0.000 0.000 0.221 526 S C 2.061 176.640 174.600 -0.035 0.000 1.033 526 S CA 1.319 59.486 58.200 -0.053 0.000 1.010 526 S CB -0.542 62.664 63.200 0.010 0.000 0.891 526 S HN 0.287 nan 8.310 nan 0.000 0.442 527 R N 1.687 122.173 120.500 -0.023 0.000 2.105 527 R HA -0.073 4.267 4.340 -0.000 0.000 0.239 527 R C 2.425 178.744 176.300 0.031 0.000 1.135 527 R CA 1.265 57.385 56.100 0.033 0.000 0.967 527 R CB -0.641 29.715 30.300 0.093 0.000 0.861 527 R HN 0.447 nan 8.270 nan 0.000 0.442 528 A N 1.009 123.834 122.820 0.008 0.000 1.877 528 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 528 A C 2.179 179.776 177.584 0.022 0.000 1.186 528 A CA 1.380 53.428 52.037 0.018 0.000 0.620 528 A CB -0.647 18.317 19.000 -0.059 0.000 0.822 528 A HN 0.342 nan 8.150 nan 0.000 0.443 529 L N -0.619 120.584 121.223 -0.033 0.000 2.012 529 L HA -0.254 4.085 4.340 -0.000 0.000 0.210 529 L C 2.869 179.741 176.870 0.002 0.000 1.073 529 L CA 2.071 56.896 54.840 -0.025 0.000 0.748 529 L CB -0.606 41.430 42.059 -0.038 0.000 0.891 529 L HN 0.589 nan 8.230 nan 0.000 0.431 530 R N 0.925 121.428 120.500 0.004 0.000 2.083 530 R HA -0.190 4.150 4.340 -0.000 0.000 0.237 530 R C 2.285 178.600 176.300 0.025 0.000 1.137 530 R CA 1.608 57.714 56.100 0.011 0.000 0.951 530 R CB -0.508 29.799 30.300 0.012 0.000 0.851 530 R HN 0.310 nan 8.270 nan 0.000 0.434 531 L N 0.841 122.079 121.223 0.025 0.000 2.079 531 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 531 L C 2.537 179.483 176.870 0.126 0.000 1.081 531 L CA 1.122 55.983 54.840 0.034 0.000 0.752 531 L CB -0.276 41.700 42.059 -0.138 0.000 0.896 531 L HN 0.310 nan 8.230 nan 0.000 0.433 532 L N -0.997 120.310 121.223 0.139 0.000 2.156 532 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 532 L C 2.626 179.511 176.870 0.025 0.000 1.095 532 L CA 0.479 55.381 54.840 0.102 0.000 0.770 532 L CB -0.285 41.790 42.059 0.027 0.000 0.914 532 L HN 0.280 nan 8.230 nan 0.000 0.439 533 Q N 0.923 120.734 119.800 0.018 0.000 2.016 533 Q HA -0.214 4.126 4.340 -0.000 0.000 0.200 533 Q C 1.843 177.843 176.000 0.000 0.000 0.978 533 Q CA 2.004 57.805 55.803 -0.003 0.000 0.833 533 Q CB 0.051 28.788 28.738 -0.002 0.000 0.895 533 Q HN 0.536 nan 8.270 nan 0.000 0.427 534 E N -1.117 119.096 120.200 0.021 0.000 2.166 534 E HA 0.124 4.474 4.350 -0.000 0.000 0.192 534 E C 0.346 176.972 176.600 0.043 0.000 0.967 534 E CA 0.791 57.206 56.400 0.025 0.000 0.840 534 E CB 0.507 30.225 29.700 0.029 0.000 0.795 534 E HN 0.106 nan 8.360 nan 0.000 0.470 535 S N 0.584 116.334 115.700 0.084 0.000 2.592 535 S HA 0.251 4.721 4.470 -0.000 0.000 0.243 535 S C 1.190 175.845 174.600 0.091 0.000 1.160 535 S CA -0.159 58.116 58.200 0.124 0.000 1.145 535 S CB 1.003 64.363 63.200 0.267 0.000 0.909 535 S HN 0.342 nan 8.310 nan 0.000 0.487 536 G N 3.482 112.296 108.800 0.023 0.000 2.574 536 G HA2 -0.352 3.607 3.960 -0.000 0.000 0.220 536 G HA3 -0.352 3.607 3.960 -0.000 0.000 0.220 536 G C 1.402 176.256 174.900 -0.078 0.000 1.173 536 G CA 1.220 46.299 45.100 -0.036 0.000 0.772 536 G HN 0.590 nan 8.290 nan 0.000 0.585 537 N N 1.278 119.918 118.700 -0.100 0.000 2.331 537 N HA -0.051 4.689 4.740 -0.000 0.000 0.180 537 N C 2.364 177.819 175.510 -0.091 0.000 1.019 537 N CA 1.324 54.310 53.050 -0.105 0.000 0.881 537 N CB -0.333 38.094 38.487 -0.100 0.000 0.972 537 N HN 0.293 nan 8.380 nan 0.000 0.435 538 G N 0.352 109.094 108.800 -0.097 0.000 2.404 538 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.215 538 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.215 538 G C 1.273 175.741 174.900 -0.720 0.000 1.174 538 G CA 0.128 45.090 45.100 -0.230 0.000 0.780 538 G HN 0.247 nan 8.290 nan 0.000 0.537 539 F N 1.417 120.798 119.950 -0.950 0.000 2.069 539 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 539 F C 2.879 178.441 175.800 -0.396 0.000 1.113 539 F CA 0.707 58.162 58.000 -0.909 0.000 1.214 539 F CB -0.751 37.991 39.000 -0.430 0.000 0.978 539 F HN 0.009 nan 8.300 nan 0.000 0.474 540 V N 0.643 120.525 119.914 -0.053 0.000 2.231 540 V HA -0.359 3.761 4.120 -0.000 0.000 0.248 540 V C 2.639 178.721 176.094 -0.021 0.000 1.054 540 V CA 2.366 64.639 62.300 -0.045 0.000 1.015 540 V CB -0.637 31.185 31.823 -0.002 0.000 0.638 540 V HN 0.253 nan 8.190 nan 0.000 0.444 541 R N -1.059 119.424 120.500 -0.029 0.000 2.091 541 R HA -0.223 4.117 4.340 -0.000 0.000 0.238 541 R C 2.322 178.643 176.300 0.035 0.000 1.136 541 R CA 1.978 58.079 56.100 0.003 0.000 0.959 541 R CB -0.596 29.710 30.300 0.011 0.000 0.856 541 R HN 0.718 nan 8.270 nan 0.000 0.437 542 H N 1.045 120.065 119.070 -0.084 0.000 2.319 542 H HA -0.062 4.494 4.556 -0.000 0.000 0.299 542 H C 1.270 176.674 175.328 0.127 0.000 1.092 542 H CA 2.095 58.169 56.048 0.043 0.000 1.302 542 H CB -0.356 29.378 29.762 -0.046 0.000 1.373 542 H HN 0.233 nan 8.280 nan 0.000 0.497 543 N N -0.381 118.327 118.700 0.013 0.000 2.585 543 N HA -0.099 4.641 4.740 -0.000 0.000 0.188 543 N C 1.493 176.975 175.510 -0.045 0.000 1.102 543 N CA 0.515 53.548 53.050 -0.028 0.000 0.920 543 N CB 0.269 38.746 38.487 -0.016 0.000 0.963 543 N HN 0.185 nan 8.380 nan 0.000 0.447 544 V N 0.306 120.187 119.914 -0.055 0.000 2.379 544 V HA -0.138 3.982 4.120 -0.000 0.000 0.245 544 V C 1.960 178.072 176.094 0.030 0.000 1.044 544 V CA 1.778 64.023 62.300 -0.092 0.000 1.036 544 V CB 0.006 31.781 31.823 -0.081 0.000 0.664 544 V HN 0.370 nan 8.190 nan 0.000 0.453 545 S N -3.173 112.560 115.700 0.055 0.000 2.540 545 S HA 0.186 4.656 4.470 -0.000 0.000 0.222 545 S C 0.396 175.064 174.600 0.113 0.000 1.008 545 S CA -0.417 57.858 58.200 0.126 0.000 0.939 545 S CB 0.016 63.288 63.200 0.119 0.000 0.865 545 S HN 0.422 nan 8.310 nan 0.000 0.499 546 C N 1.837 121.140 119.300 0.005 0.000 2.561 546 C HA 0.623 5.083 4.460 -0.000 0.000 0.319 546 C C -0.066 174.968 174.990 0.072 0.000 1.198 546 C CA -1.100 57.919 59.018 0.002 0.000 1.665 546 C CB 1.062 28.660 27.740 -0.236 0.000 2.258 546 C HN 0.509 nan 8.230 nan 0.000 0.493 547 L N 2.601 123.932 121.223 0.179 0.000 2.290 547 L HA 0.412 4.752 4.340 -0.000 0.000 0.284 547 L C 0.140 177.199 176.870 0.315 0.000 1.078 547 L CA 0.518 55.497 54.840 0.232 0.000 0.815 547 L CB 1.055 43.260 42.059 0.243 0.000 1.162 547 L HN 0.718 nan 8.230 nan 0.000 0.435 548 S N 3.296 119.208 115.700 0.353 0.000 2.473 548 S HA 0.535 5.005 4.470 -0.000 0.000 0.307 548 S C -0.550 174.308 174.600 0.429 0.000 1.094 548 S CA -0.702 57.808 58.200 0.517 0.000 1.070 548 S CB 1.964 65.523 63.200 0.597 0.000 1.019 548 S HN 0.525 nan 8.310 nan 0.000 0.480 549 R N 2.908 123.698 120.500 0.483 0.000 2.393 549 R HA 0.562 4.902 4.340 -0.000 0.000 0.310 549 R C -1.212 175.366 176.300 0.463 0.000 0.968 549 R CA -0.521 55.823 56.100 0.406 0.000 0.867 549 R CB 0.376 30.883 30.300 0.346 0.000 1.124 549 R HN 0.440 nan 8.270 nan 0.000 0.450 550 I N 5.260 126.040 120.570 0.350 0.000 2.603 550 I HA 0.404 4.574 4.170 -0.000 0.000 0.300 550 I C -0.552 175.695 176.117 0.217 0.000 1.017 550 I CA -1.056 60.364 61.300 0.201 0.000 1.098 550 I CB 1.143 39.192 38.000 0.083 0.000 1.279 550 I HN 0.678 nan 8.210 nan 0.000 0.437 551 Y N 3.372 123.695 120.300 0.038 0.000 2.588 551 Y HA 0.791 5.341 4.550 -0.000 0.000 0.343 551 Y C -3.085 172.681 175.900 -0.223 0.000 1.065 551 Y CA -3.314 54.760 58.100 -0.043 0.000 1.038 551 Y CB 0.794 39.243 38.460 -0.018 0.000 1.297 551 Y HN 0.293 nan 8.280 nan 0.000 0.467 552 P HA 0.171 nan 4.420 nan 0.000 0.268 552 P C -0.315 176.838 177.300 -0.245 0.000 1.205 552 P CA 0.177 63.158 63.100 -0.198 0.000 0.771 552 P CB 0.570 32.163 31.700 -0.180 0.000 0.858 553 A N 3.160 125.766 122.820 -0.356 0.000 2.561 553 A HA 0.253 4.573 4.320 -0.000 0.000 0.234 553 A C 1.974 179.373 177.584 -0.308 0.000 1.055 553 A CA 0.580 52.432 52.037 -0.308 0.000 0.756 553 A CB -0.823 17.972 19.000 -0.342 0.000 0.986 553 A HN 0.713 nan 8.150 nan 0.000 0.505 554 G N 1.438 110.217 108.800 -0.036 0.000 2.462 554 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 554 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 554 G C 1.156 176.086 174.900 0.049 0.000 1.121 554 G CA 1.082 46.219 45.100 0.062 0.000 0.758 554 G HN 1.039 nan 8.290 nan 0.000 0.559 555 W N 0.542 121.885 121.300 0.071 0.000 2.937 555 W HA 0.256 4.916 4.660 -0.000 0.000 0.245 555 W C 0.488 177.041 176.519 0.057 0.000 1.306 555 W CA -0.416 56.962 57.345 0.056 0.000 1.470 555 W CB -0.219 29.262 29.460 0.034 0.000 1.132 555 W HN 0.070 nan 8.180 nan 0.000 0.675 556 R N 2.469 122.644 120.500 -0.541 0.000 4.680 556 R HA 0.035 4.375 4.340 -0.000 0.000 0.222 556 R C 1.594 177.823 176.300 -0.118 0.000 1.803 556 R CA 0.577 56.395 56.100 -0.471 0.000 1.560 556 R CB -0.302 29.578 30.300 -0.700 0.000 1.412 556 R HN 0.103 nan 8.270 nan 0.000 0.815 557 T N -2.728 111.841 114.554 0.026 0.000 3.098 557 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 557 T C 1.072 175.802 174.700 0.049 0.000 1.145 557 T CA 0.884 63.026 62.100 0.070 0.000 1.092 557 T CB -0.050 68.883 68.868 0.108 0.000 0.908 557 T HN 0.337 nan 8.240 nan 0.000 0.526 558 D N 0.193 120.612 120.400 0.031 0.000 2.339 558 D HA 0.146 4.786 4.640 -0.000 0.000 0.217 558 D C 0.664 176.956 176.300 -0.013 0.000 1.050 558 D CA 0.007 54.021 54.000 0.023 0.000 0.856 558 D CB -0.423 40.404 40.800 0.045 0.000 0.922 558 D HN 0.298 nan 8.370 nan 0.000 0.518 559 S N -0.909 114.770 115.700 -0.035 0.000 3.490 559 S HA -0.205 4.265 4.470 -0.000 0.000 0.301 559 S C 0.510 175.065 174.600 -0.076 0.000 1.233 559 S CA 0.636 58.805 58.200 -0.052 0.000 0.914 559 S CB -2.305 60.865 63.200 -0.050 0.000 1.047 559 S HN 0.781 nan 8.310 nan 0.000 0.602 560 S N 1.406 117.053 115.700 -0.089 0.000 2.587 560 S HA 0.509 4.979 4.470 -0.000 0.000 0.260 560 S C -0.002 174.518 174.600 -0.133 0.000 1.353 560 S CA -0.429 57.717 58.200 -0.090 0.000 0.995 560 S CB 0.561 63.729 63.200 -0.053 0.000 0.912 560 S HN 0.404 nan 8.310 nan 0.000 0.568 561 N N 0.271 118.893 118.700 -0.131 0.000 2.265 561 N HA 0.445 5.185 4.740 -0.000 0.000 0.300 561 N C -0.952 174.475 175.510 -0.138 0.000 1.148 561 N CA -0.515 52.416 53.050 -0.199 0.000 0.772 561 N CB 1.536 39.847 38.487 -0.294 0.000 1.434 561 N HN 0.791 nan 8.380 nan 0.000 0.481 562 Y N -0.993 119.220 120.300 -0.144 0.000 2.418 562 Y HA 0.531 5.080 4.550 -0.000 0.000 0.327 562 Y C 0.937 176.770 175.900 -0.112 0.000 1.309 562 Y CA -1.237 56.798 58.100 -0.108 0.000 1.423 562 Y CB -0.074 38.314 38.460 -0.119 0.000 1.423 562 Y HN 0.328 nan 8.280 nan 0.000 0.532 563 S N 2.146 117.867 115.700 0.036 0.000 2.489 563 S HA 0.281 4.751 4.470 -0.000 0.000 0.277 563 S C -1.729 172.787 174.600 -0.140 0.000 1.230 563 S CA -1.399 56.746 58.200 -0.091 0.000 1.053 563 S CB 0.694 63.860 63.200 -0.057 0.000 0.955 563 S HN 0.629 nan 8.310 nan 0.000 0.488 564 P HA -0.036 nan 4.420 nan 0.000 0.220 564 P C 1.658 178.401 177.300 -0.929 0.000 1.152 564 P CA 0.512 63.194 63.100 -0.696 0.000 0.812 564 P CB -0.132 30.972 31.700 -0.994 0.000 0.792 565 V N 2.798 122.322 119.914 -0.651 0.000 2.278 565 V HA -0.281 3.839 4.120 -0.000 0.000 0.251 565 V C 2.861 178.898 176.094 -0.095 0.000 1.062 565 V CA 2.570 64.734 62.300 -0.226 0.000 1.038 565 V CB -1.521 30.311 31.823 0.015 0.000 0.646 565 V HN 0.311 nan 8.190 nan 0.000 0.447 566 E N -0.284 119.851 120.200 -0.109 0.000 2.160 566 E HA -0.259 4.091 4.350 -0.000 0.000 0.195 566 E C 2.044 178.597 176.600 -0.080 0.000 0.991 566 E CA 1.691 58.053 56.400 -0.063 0.000 0.810 566 E CB -0.296 29.371 29.700 -0.054 0.000 0.742 566 E HN 0.494 nan 8.360 nan 0.000 0.466 567 M N -0.283 119.236 119.600 -0.134 0.000 2.287 567 M HA -0.009 4.471 4.480 -0.000 0.000 0.266 567 M C 1.875 178.167 176.300 -0.012 0.000 1.079 567 M CA 0.776 55.998 55.300 -0.130 0.000 1.146 567 M CB -1.082 31.453 32.600 -0.107 0.000 1.374 567 M HN 0.218 nan 8.290 nan 0.000 0.435 568 W N 2.148 123.441 121.300 -0.013 0.000 2.342 568 W HA -0.123 4.537 4.660 -0.000 0.000 0.297 568 W C 1.957 178.454 176.519 -0.036 0.000 1.213 568 W CA 0.873 58.199 57.345 -0.031 0.000 1.251 568 W CB -1.801 27.643 29.460 -0.026 0.000 1.136 568 W HN 0.355 nan 8.180 nan 0.000 0.526 569 N N -0.473 118.358 118.700 0.218 0.000 2.348 569 N HA -0.105 4.635 4.740 -0.000 0.000 0.185 569 N C 1.829 177.419 175.510 0.134 0.000 1.019 569 N CA 1.663 54.823 53.050 0.184 0.000 0.880 569 N CB -0.880 37.683 38.487 0.127 0.000 0.965 569 N HN 0.195 nan 8.380 nan 0.000 0.437 570 G N -1.424 107.367 108.800 -0.016 0.000 3.233 570 G HA2 0.351 4.311 3.960 -0.000 0.000 0.234 570 G HA3 0.351 4.311 3.960 -0.000 0.000 0.234 570 G C 0.910 175.700 174.900 -0.184 0.000 1.137 570 G CA 0.243 45.246 45.100 -0.161 0.000 0.763 570 G HN 0.393 nan 8.290 nan 0.000 0.549 571 G N -0.919 107.850 108.800 -0.051 0.000 2.143 571 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.249 571 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.249 571 G C 0.440 175.305 174.900 -0.058 0.000 0.981 571 G CA 0.058 45.130 45.100 -0.048 0.000 0.665 571 G HN 0.576 nan 8.290 nan 0.000 0.528 572 C N 0.936 120.182 119.300 -0.091 0.000 2.629 572 C HA 0.435 4.894 4.460 -0.000 0.000 0.410 572 C C 1.819 176.929 174.990 0.200 0.000 1.339 572 C CA 0.343 59.338 59.018 -0.038 0.000 1.810 572 C CB 0.566 28.222 27.740 -0.140 0.000 2.549 572 C HN 0.701 nan 8.230 nan 0.000 0.589 573 Q N 2.287 122.207 119.800 0.200 0.000 2.200 573 Q HA 0.233 4.573 4.340 -0.000 0.000 0.197 573 Q C 0.420 176.609 176.000 0.315 0.000 0.953 573 Q CA 0.920 56.874 55.803 0.251 0.000 0.851 573 Q CB 0.149 29.011 28.738 0.206 0.000 0.938 573 Q HN 0.761 nan 8.270 nan 0.000 0.488 574 I N 2.305 123.049 120.570 0.290 0.000 2.234 574 I HA 0.133 4.303 4.170 -0.000 0.000 0.287 574 I C -0.811 175.506 176.117 0.334 0.000 1.131 574 I CA -0.497 60.977 61.300 0.290 0.000 1.335 574 I CB 0.335 38.483 38.000 0.246 0.000 1.511 574 I HN -0.073 nan 8.210 nan 0.000 0.588 575 V N 4.267 124.438 119.914 0.428 0.000 2.338 575 V HA 0.290 4.410 4.120 -0.000 0.000 0.255 575 V C 0.986 177.306 176.094 0.378 0.000 1.082 575 V CA -0.459 62.094 62.300 0.422 0.000 0.951 575 V CB 0.617 32.699 31.823 0.432 0.000 1.102 575 V HN 0.664 nan 8.190 nan 0.000 0.489 576 A N 7.171 130.172 122.820 0.301 0.000 2.362 576 A HA 0.721 5.041 4.320 -0.000 0.000 0.276 576 A C -0.294 177.337 177.584 0.079 0.000 1.153 576 A CA -0.187 51.969 52.037 0.199 0.000 0.813 576 A CB 0.275 19.429 19.000 0.256 0.000 1.081 576 A HN 0.762 nan 8.150 nan 0.000 0.507 577 L N 1.752 122.932 121.223 -0.071 0.000 2.279 577 L HA 0.399 4.739 4.340 -0.000 0.000 0.262 577 L C -0.344 176.529 176.870 0.006 0.000 1.019 577 L CA -1.171 53.545 54.840 -0.206 0.000 0.823 577 L CB 1.665 43.397 42.059 -0.545 0.000 1.358 577 L HN 0.625 nan 8.230 nan 0.000 0.432 578 N N 1.196 119.867 118.700 -0.050 0.000 2.448 578 N HA 0.091 4.831 4.740 -0.000 0.000 0.250 578 N C 0.547 176.056 175.510 -0.002 0.000 1.136 578 N CA -0.017 53.033 53.050 -0.001 0.000 0.953 578 N CB 0.489 38.956 38.487 -0.034 0.000 1.251 578 N HN 0.416 nan 8.380 nan 0.000 0.502 579 F N 1.486 121.313 119.950 -0.204 0.000 2.373 579 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 579 F C 2.442 178.155 175.800 -0.146 0.000 1.080 579 F CA 0.987 58.879 58.000 -0.180 0.000 1.417 579 F CB 0.087 38.986 39.000 -0.167 0.000 1.070 579 F HN 0.514 nan 8.300 nan 0.000 0.546 580 Q N -0.699 119.104 119.800 0.005 0.000 2.432 580 Q HA 0.010 4.349 4.340 -0.000 0.000 0.205 580 Q C -0.010 175.948 176.000 -0.070 0.000 0.945 580 Q CA 0.686 56.464 55.803 -0.041 0.000 0.924 580 Q CB -0.776 27.923 28.738 -0.064 0.000 1.016 580 Q HN 0.172 nan 8.270 nan 0.000 0.503 581 T N 4.862 119.360 114.554 -0.095 0.000 2.753 581 T HA 0.424 4.774 4.350 -0.000 0.000 0.297 581 T C -2.565 172.055 174.700 -0.134 0.000 0.981 581 T CA -1.368 60.669 62.100 -0.105 0.000 0.956 581 T CB 1.484 70.291 68.868 -0.102 0.000 0.936 581 T HN 0.163 nan 8.240 nan 0.000 0.463 582 P HA 0.545 nan 4.420 nan 0.000 0.271 582 P C 0.213 177.410 177.300 -0.172 0.000 1.216 582 P CA 0.116 63.119 63.100 -0.161 0.000 0.776 582 P CB 0.811 32.410 31.700 -0.167 0.000 0.881 583 G N 2.259 110.946 108.800 -0.189 0.000 2.313 583 G HA2 0.225 4.184 3.960 -0.000 0.000 0.296 583 G HA3 0.225 4.184 3.960 -0.000 0.000 0.296 583 G C -2.818 172.016 174.900 -0.110 0.000 1.356 583 G CA -0.768 44.237 45.100 -0.159 0.000 0.833 583 G HN 0.076 nan 8.290 nan 0.000 0.552 584 P HA 0.048 nan 4.420 nan 0.000 0.220 584 P C 1.375 178.693 177.300 0.030 0.000 1.148 584 P CA 1.226 64.341 63.100 0.026 0.000 0.803 584 P CB 0.325 32.070 31.700 0.075 0.000 0.782 585 E N -1.223 118.961 120.200 -0.026 0.000 2.051 585 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 585 E C 1.955 178.527 176.600 -0.046 0.000 0.991 585 E CA 1.242 57.606 56.400 -0.060 0.000 0.799 585 E CB -0.711 28.897 29.700 -0.153 0.000 0.748 585 E HN 0.117 nan 8.360 nan 0.000 0.449 586 M N 0.687 120.228 119.600 -0.099 0.000 2.254 586 M HA -0.083 4.397 4.480 -0.000 0.000 0.265 586 M C 1.096 177.397 176.300 0.002 0.000 1.066 586 M CA 1.108 56.338 55.300 -0.116 0.000 1.123 586 M CB -0.553 31.903 32.600 -0.240 0.000 1.388 586 M HN 0.038 nan 8.290 nan 0.000 0.425 587 D N 0.202 120.606 120.400 0.006 0.000 2.092 587 D HA -0.132 4.508 4.640 -0.000 0.000 0.193 587 D C 2.202 178.564 176.300 0.103 0.000 0.994 587 D CA 1.217 55.250 54.000 0.055 0.000 0.828 587 D CB -0.295 40.542 40.800 0.062 0.000 0.963 587 D HN 0.121 nan 8.370 nan 0.000 0.450 588 V N 0.332 120.314 119.914 0.113 0.000 2.343 588 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 588 V C 2.141 178.400 176.094 0.276 0.000 1.051 588 V CA 1.347 63.741 62.300 0.157 0.000 1.036 588 V CB -0.605 31.323 31.823 0.176 0.000 0.654 588 V HN 0.179 nan 8.190 nan 0.000 0.451 589 Y N 0.416 120.822 120.300 0.177 0.000 2.053 589 Y HA -0.250 4.300 4.550 -0.000 0.000 0.277 589 Y C 2.267 178.368 175.900 0.335 0.000 1.159 589 Y CA 1.919 60.221 58.100 0.335 0.000 1.125 589 Y CB -0.224 38.304 38.460 0.115 0.000 0.969 589 Y HN 0.114 nan 8.280 nan 0.000 0.492 590 L N -1.107 120.304 121.223 0.313 0.000 2.291 590 L HA -0.103 4.237 4.340 -0.000 0.000 0.214 590 L C 2.522 179.496 176.870 0.174 0.000 1.120 590 L CA 0.866 55.846 54.840 0.234 0.000 0.799 590 L CB -1.105 41.027 42.059 0.122 0.000 0.925 590 L HN 0.377 nan 8.230 nan 0.000 0.446 591 G N -0.556 108.340 108.800 0.160 0.000 2.404 591 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.215 591 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.215 591 G C 1.824 176.808 174.900 0.139 0.000 1.174 591 G CA 0.741 45.953 45.100 0.186 0.000 0.780 591 G HN 0.440 nan 8.290 nan 0.000 0.537 592 C N 0.206 119.492 119.300 -0.024 0.000 2.413 592 C HA -0.017 4.443 4.460 -0.000 0.000 0.277 592 C C 2.468 177.195 174.990 -0.439 0.000 1.228 592 C CA 0.908 59.706 59.018 -0.367 0.000 1.731 592 C CB -1.213 26.027 27.740 -0.834 0.000 2.042 592 C HN 0.339 nan 8.230 nan 0.000 0.468 593 F N 0.870 120.774 119.950 -0.076 0.000 2.802 593 F HA 0.106 4.633 4.527 -0.000 0.000 0.300 593 F C 2.221 178.049 175.800 0.048 0.000 1.168 593 F CA 0.964 58.944 58.000 -0.034 0.000 1.433 593 F CB -0.623 38.360 39.000 -0.028 0.000 1.115 593 F HN 0.355 nan 8.300 nan 0.000 0.582 594 Q N 0.561 120.470 119.800 0.181 0.000 2.311 594 Q HA -0.068 4.272 4.340 -0.000 0.000 0.203 594 Q C 0.689 176.819 176.000 0.217 0.000 0.954 594 Q CA 0.564 56.428 55.803 0.101 0.000 0.885 594 Q CB -0.232 28.444 28.738 -0.104 0.000 0.963 594 Q HN 0.214 nan 8.270 nan 0.000 0.471 595 D N 0.147 120.736 120.400 0.314 0.000 2.363 595 D HA -0.034 4.606 4.640 -0.000 0.000 0.240 595 D C -0.099 176.339 176.300 0.230 0.000 1.236 595 D CA 0.327 54.532 54.000 0.341 0.000 0.927 595 D CB 0.358 41.245 40.800 0.145 0.000 1.150 595 D HN 0.267 nan 8.370 nan 0.000 0.458 596 N N 0.131 118.986 118.700 0.259 0.000 2.716 596 N HA -0.215 4.525 4.740 -0.000 0.000 0.250 596 N C 0.668 176.279 175.510 0.169 0.000 1.033 596 N CA 1.874 54.963 53.050 0.066 0.000 0.727 596 N CB -1.269 37.112 38.487 -0.177 0.000 0.950 596 N HN 0.718 nan 8.380 nan 0.000 0.541 597 G N -1.439 107.516 108.800 0.259 0.000 2.166 597 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.260 597 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.260 597 G C 1.333 176.338 174.900 0.174 0.000 0.986 597 G CA 1.005 46.228 45.100 0.206 0.000 0.683 597 G HN 1.810 nan 8.290 nan 0.000 0.527 598 G N -1.594 107.315 108.800 0.182 0.000 2.249 598 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.273 598 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.273 598 G C 1.864 176.886 174.900 0.203 0.000 1.036 598 G CA 1.641 46.852 45.100 0.185 0.000 0.824 598 G HN 2.285 nan 8.290 nan 0.000 0.504 599 C N -1.961 117.475 119.300 0.227 0.000 2.500 599 C HA 0.546 5.006 4.460 -0.000 0.000 0.273 599 C C 2.420 177.590 174.990 0.301 0.000 1.428 599 C CA 0.760 59.957 59.018 0.299 0.000 1.766 599 C CB -0.809 27.164 27.740 0.387 0.000 1.817 599 C HN 2.349 nan 8.230 nan 0.000 0.543 600 G N -1.205 107.725 108.800 0.217 0.000 2.176 600 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.232 600 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.232 600 G C -0.412 174.398 174.900 -0.149 0.000 0.986 600 G CA 0.363 45.465 45.100 0.003 0.000 0.643 600 G HN 0.647 nan 8.290 nan 0.000 0.522 601 Y N -0.373 119.968 120.300 0.070 0.000 2.326 601 Y HA 0.594 5.144 4.550 -0.000 0.000 0.329 601 Y C -0.124 175.821 175.900 0.075 0.000 0.973 601 Y CA -0.907 57.197 58.100 0.007 0.000 1.162 601 Y CB 2.412 40.637 38.460 -0.391 0.000 1.147 601 Y HN 0.101 nan 8.280 nan 0.000 0.456 602 V N 5.316 125.382 119.914 0.253 0.000 2.407 602 V HA 0.257 4.377 4.120 -0.000 0.000 0.291 602 V C -0.446 175.662 176.094 0.024 0.000 1.018 602 V CA -0.934 61.385 62.300 0.032 0.000 0.842 602 V CB 1.674 33.349 31.823 -0.247 0.000 0.996 602 V HN 0.568 nan 8.190 nan 0.000 0.426 603 L N 5.947 127.152 121.223 -0.030 0.000 2.513 603 L HA 0.198 4.537 4.340 -0.000 0.000 0.272 603 L C 0.644 177.321 176.870 -0.321 0.000 1.187 603 L CA 0.693 55.352 54.840 -0.302 0.000 0.895 603 L CB 0.074 41.941 42.059 -0.321 0.000 1.147 603 L HN 0.568 nan 8.230 nan 0.000 0.483 604 K N 6.516 126.700 120.400 -0.360 0.000 2.336 604 K HA 0.207 4.527 4.320 -0.000 0.000 0.262 604 K C -2.179 174.189 176.600 -0.386 0.000 0.992 604 K CA -1.166 54.916 56.287 -0.342 0.000 0.927 604 K CB 0.097 32.411 32.500 -0.311 0.000 0.956 604 K HN 0.509 nan 8.250 nan 0.000 0.495 605 P HA -0.037 nan 4.420 nan 0.000 0.272 605 P C -0.266 176.660 177.300 -0.624 0.000 1.223 605 P CA 0.049 62.783 63.100 -0.611 0.000 0.784 605 P CB 0.939 32.043 31.700 -0.992 0.000 0.923 606 A N 3.147 125.681 122.820 -0.476 0.000 1.892 606 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 606 A C 1.841 179.285 177.584 -0.233 0.000 1.188 606 A CA 2.299 54.161 52.037 -0.292 0.000 0.631 606 A CB -1.937 16.967 19.000 -0.160 0.000 0.822 606 A HN 0.662 nan 8.150 nan 0.000 0.447 607 F N -0.615 119.292 119.950 -0.072 0.000 2.307 607 F HA 0.009 4.536 4.527 -0.000 0.000 0.301 607 F C 1.285 177.013 175.800 -0.120 0.000 1.076 607 F CA 0.772 58.755 58.000 -0.029 0.000 1.383 607 F CB -0.875 38.186 39.000 0.102 0.000 1.055 607 F HN 0.099 nan 8.300 nan 0.000 0.526 608 L N 0.175 121.300 121.223 -0.163 0.000 2.611 608 L HA 0.249 4.589 4.340 -0.000 0.000 0.229 608 L C 1.201 177.948 176.870 -0.205 0.000 1.137 608 L CA 0.180 54.963 54.840 -0.095 0.000 0.901 608 L CB -0.236 41.729 42.059 -0.157 0.000 1.098 608 L HN 0.124 nan 8.230 nan 0.000 0.456 609 R N -0.806 119.550 120.500 -0.240 0.000 2.600 609 R HA 0.120 4.460 4.340 -0.000 0.000 0.392 609 R C -0.447 175.727 176.300 -0.211 0.000 1.032 609 R CA -0.168 55.700 56.100 -0.387 0.000 1.139 609 R CB 0.552 30.582 30.300 -0.450 0.000 1.400 609 R HN -0.004 nan 8.270 nan 0.000 0.566 610 D N 1.521 121.874 120.400 -0.077 0.000 2.441 610 D HA 0.153 4.793 4.640 -0.000 0.000 0.231 610 D C -1.483 174.829 176.300 0.019 0.000 1.073 610 D CA -2.547 51.453 54.000 0.001 0.000 0.850 610 D CB 1.678 42.519 40.800 0.068 0.000 1.062 610 D HN -0.138 nan 8.370 nan 0.000 0.524 611 P HA -0.124 nan 4.420 nan 0.000 0.220 611 P C -0.014 177.317 177.300 0.052 0.000 1.144 611 P CA 0.783 63.904 63.100 0.035 0.000 0.800 611 P CB 0.309 32.037 31.700 0.047 0.000 0.772 612 N N -0.628 118.108 118.700 0.061 0.000 2.380 612 N HA 0.059 4.799 4.740 -0.000 0.000 0.255 612 N C -0.027 175.541 175.510 0.096 0.000 1.158 612 N CA 0.160 53.253 53.050 0.071 0.000 0.878 612 N CB -0.080 38.447 38.487 0.066 0.000 1.138 612 N HN 0.027 nan 8.380 nan 0.000 0.509 613 T N 0.976 115.590 114.554 0.101 0.000 2.870 613 T HA 0.066 4.416 4.350 -0.000 0.000 0.300 613 T C 1.504 176.272 174.700 0.114 0.000 0.989 613 T CA 0.388 62.571 62.100 0.138 0.000 1.139 613 T CB 0.782 69.727 68.868 0.129 0.000 0.920 613 T HN 0.315 nan 8.240 nan 0.000 0.537 614 T N 1.441 116.097 114.554 0.169 0.000 3.134 614 T HA 0.248 4.598 4.350 -0.000 0.000 0.260 614 T C 0.323 174.977 174.700 -0.077 0.000 1.027 614 T CA -0.600 61.558 62.100 0.097 0.000 0.913 614 T CB -0.384 68.592 68.868 0.181 0.000 1.046 614 T HN 0.394 nan 8.240 nan 0.000 0.553 615 F N 3.143 122.798 119.950 -0.491 0.000 2.518 615 F HA 0.524 5.050 4.527 -0.000 0.000 0.359 615 F C 0.107 175.577 175.800 -0.550 0.000 1.118 615 F CA -0.736 56.652 58.000 -1.020 0.000 1.287 615 F CB 0.532 38.772 39.000 -1.267 0.000 1.132 615 F HN 0.183 nan 8.300 nan 0.000 0.587 616 N N 2.904 120.687 118.700 -1.528 0.000 2.699 616 N HA 0.017 4.757 4.740 -0.000 0.000 0.271 616 N C 0.245 174.980 175.510 -1.292 0.000 1.216 616 N CA 0.364 52.749 53.050 -1.109 0.000 0.844 616 N CB 1.322 39.492 38.487 -0.528 0.000 1.462 616 N HN 0.663 nan 8.380 nan 0.000 0.555 617 S N 2.844 117.685 115.700 -1.432 0.000 2.440 617 S HA -0.124 4.346 4.470 -0.000 0.000 0.240 617 S C 1.345 175.732 174.600 -0.355 0.000 1.014 617 S CA 0.770 58.535 58.200 -0.724 0.000 0.980 617 S CB -0.007 63.064 63.200 -0.215 0.000 0.775 617 S HN 0.537 nan 8.310 nan 0.000 0.499 618 R N 1.174 121.470 120.500 -0.339 0.000 2.246 618 R HA 0.341 4.681 4.340 -0.000 0.000 0.199 618 R C 0.511 176.712 176.300 -0.166 0.000 0.984 618 R CA 0.852 56.837 56.100 -0.192 0.000 1.015 618 R CB -0.130 30.077 30.300 -0.156 0.000 0.930 618 R HN 0.498 nan 8.270 nan 0.000 0.475 619 A N 1.443 124.126 122.820 -0.228 0.000 3.127 619 A HA 0.371 4.691 4.320 -0.000 0.000 0.319 619 A C -0.413 177.063 177.584 -0.180 0.000 1.104 619 A CA -0.565 51.375 52.037 -0.163 0.000 0.802 619 A CB 0.255 19.167 19.000 -0.147 0.000 1.193 619 A HN 0.061 nan 8.150 nan 0.000 0.479 620 L N 2.278 123.435 121.223 -0.109 0.000 2.410 620 L HA 0.416 4.756 4.340 -0.000 0.000 0.273 620 L C 1.151 178.030 176.870 0.016 0.000 1.152 620 L CA 0.199 55.034 54.840 -0.009 0.000 0.855 620 L CB 1.118 43.283 42.059 0.176 0.000 1.129 620 L HN 0.787 nan 8.230 nan 0.000 0.463 621 T N -0.254 114.392 114.554 0.153 0.000 2.807 621 T HA 0.410 4.760 4.350 -0.000 0.000 0.277 621 T C -0.412 174.354 174.700 0.111 0.000 1.006 621 T CA -0.892 61.251 62.100 0.072 0.000 1.006 621 T CB 1.631 70.573 68.868 0.124 0.000 1.274 621 T HN 0.424 nan 8.240 nan 0.000 0.569 622 Q N -0.325 119.403 119.800 -0.120 0.000 2.340 622 Q HA 0.593 4.933 4.340 -0.000 0.000 0.249 622 Q C -0.031 175.713 176.000 -0.428 0.000 0.957 622 Q CA 0.724 56.341 55.803 -0.309 0.000 0.882 622 Q CB 0.342 28.893 28.738 -0.313 0.000 1.235 622 Q HN 1.282 nan 8.270 nan 0.000 0.439 623 G N 2.304 110.546 108.800 -0.930 0.000 2.328 623 G HA2 0.231 4.191 3.960 -0.000 0.000 0.295 623 G HA3 0.231 4.191 3.960 -0.000 0.000 0.295 623 G C -2.569 171.531 174.900 -1.334 0.000 1.413 623 G CA -0.525 43.584 45.100 -1.651 0.000 0.817 623 G HN 0.455 nan 8.290 nan 0.000 0.546 624 P HA -0.075 nan 4.420 nan 0.000 0.220 624 P C 1.437 178.674 177.300 -0.106 0.000 1.144 624 P CA 1.846 64.772 63.100 -0.291 0.000 0.800 624 P CB -0.115 31.558 31.700 -0.046 0.000 0.772 625 W N -2.286 119.020 121.300 0.011 0.000 2.519 625 W HA 0.072 4.732 4.660 -0.000 0.000 0.266 625 W C 0.848 177.379 176.519 0.021 0.000 1.253 625 W CA -0.679 56.599 57.345 -0.111 0.000 1.274 625 W CB -1.483 27.352 29.460 -1.042 0.000 1.114 625 W HN -0.115 nan 8.180 nan 0.000 0.596 626 W N 4.553 125.663 121.300 -0.315 0.000 2.416 626 W HA 0.375 5.035 4.660 -0.000 0.000 0.318 626 W C -0.500 175.953 176.519 -0.111 0.000 1.150 626 W CA -0.587 56.687 57.345 -0.118 0.000 1.392 626 W CB 0.283 29.627 29.460 -0.193 0.000 1.311 626 W HN -0.058 nan 8.180 nan 0.000 0.436 627 R N 5.918 126.167 120.500 -0.420 0.000 2.837 627 R HA 0.187 4.527 4.340 -0.000 0.000 0.245 627 R C -2.711 173.337 176.300 -0.421 0.000 1.712 627 R CA -1.632 54.280 56.100 -0.314 0.000 1.539 627 R CB 0.869 31.082 30.300 -0.145 0.000 1.490 627 R HN 0.139 nan 8.270 nan 0.000 0.667 628 P HA -0.051 nan 4.420 nan 0.000 0.265 628 P C -0.393 176.768 177.300 -0.232 0.000 1.187 628 P CA 0.553 63.373 63.100 -0.467 0.000 0.766 628 P CB 0.718 32.166 31.700 -0.420 0.000 0.820 629 E N 1.996 122.083 120.200 -0.189 0.000 2.343 629 E HA 0.347 4.697 4.350 -0.000 0.000 0.270 629 E C -0.575 176.053 176.600 0.047 0.000 0.895 629 E CA -0.898 55.491 56.400 -0.018 0.000 0.767 629 E CB 2.531 32.296 29.700 0.108 0.000 1.248 629 E HN 0.349 nan 8.360 nan 0.000 0.440 630 R N 2.529 123.087 120.500 0.097 0.000 2.288 630 R HA 0.355 4.695 4.340 -0.000 0.000 0.326 630 R C -1.183 175.210 176.300 0.155 0.000 0.959 630 R CA -0.647 55.516 56.100 0.104 0.000 0.834 630 R CB 0.402 30.735 30.300 0.055 0.000 1.157 630 R HN 0.391 nan 8.270 nan 0.000 0.470 631 L N 4.725 126.085 121.223 0.229 0.000 2.295 631 L HA 0.516 4.856 4.340 -0.000 0.000 0.285 631 L C -0.870 176.117 176.870 0.195 0.000 1.035 631 L CA -0.241 54.728 54.840 0.216 0.000 0.806 631 L CB 1.175 43.420 42.059 0.310 0.000 1.214 631 L HN 0.570 nan 8.230 nan 0.000 0.426 632 R N 5.025 125.583 120.500 0.096 0.000 2.439 632 R HA 0.647 4.987 4.340 -0.000 0.000 0.310 632 R C -1.555 174.776 176.300 0.051 0.000 0.955 632 R CA -0.848 55.300 56.100 0.081 0.000 0.853 632 R CB 1.929 32.235 30.300 0.011 0.000 1.171 632 R HN 0.471 nan 8.270 nan 0.000 0.449 633 V N 3.522 123.507 119.914 0.118 0.000 2.487 633 V HA 0.433 4.552 4.120 -0.000 0.000 0.298 633 V C -0.013 176.088 176.094 0.011 0.000 1.028 633 V CA -0.895 61.462 62.300 0.095 0.000 0.860 633 V CB 2.055 34.009 31.823 0.219 0.000 0.991 633 V HN 0.636 nan 8.190 nan 0.000 0.427 634 R N 5.134 125.599 120.500 -0.058 0.000 2.310 634 R HA 0.519 4.859 4.340 -0.000 0.000 0.324 634 R C -1.061 175.192 176.300 -0.078 0.000 0.955 634 R CA -0.698 55.333 56.100 -0.114 0.000 0.830 634 R CB 0.894 31.129 30.300 -0.108 0.000 1.154 634 R HN 0.554 nan 8.270 nan 0.000 0.458 635 I N 7.548 128.066 120.570 -0.087 0.000 2.308 635 I HA 0.062 4.232 4.170 -0.000 0.000 0.293 635 I C 1.152 177.322 176.117 0.089 0.000 1.078 635 I CA -0.056 61.246 61.300 0.004 0.000 1.292 635 I CB 0.373 38.348 38.000 -0.041 0.000 1.423 635 I HN 0.815 nan 8.210 nan 0.000 0.493 636 I N 3.905 124.541 120.570 0.111 0.000 2.405 636 I HA -0.055 4.115 4.170 -0.000 0.000 0.236 636 I C 1.054 177.354 176.117 0.305 0.000 1.071 636 I CA 0.802 62.217 61.300 0.192 0.000 1.398 636 I CB 0.068 38.188 38.000 0.200 0.000 1.162 636 I HN 0.677 nan 8.210 nan 0.000 0.432 637 S N -0.669 115.238 115.700 0.344 0.000 2.651 637 S HA 0.769 5.239 4.470 -0.000 0.000 0.279 637 S C -0.504 174.303 174.600 0.344 0.000 1.148 637 S CA -0.562 57.811 58.200 0.289 0.000 0.837 637 S CB 1.771 65.055 63.200 0.140 0.000 1.138 637 S HN 0.258 nan 8.310 nan 0.000 0.478 638 G N -0.197 108.742 108.800 0.232 0.000 2.482 638 G HA2 0.627 4.587 3.960 -0.000 0.000 0.317 638 G HA3 0.627 4.587 3.960 -0.000 0.000 0.317 638 G C -1.888 173.001 174.900 -0.019 0.000 1.241 638 G CA -0.760 44.468 45.100 0.214 0.000 0.967 638 G HN 0.557 nan 8.290 nan 0.000 0.482 639 Q N 0.378 120.138 119.800 -0.066 0.000 2.321 639 Q HA 0.442 4.782 4.340 -0.000 0.000 0.270 639 Q C -0.285 175.606 176.000 -0.180 0.000 1.032 639 Q CA -0.580 55.090 55.803 -0.222 0.000 0.784 639 Q CB 2.102 30.697 28.738 -0.239 0.000 1.264 639 Q HN 0.677 nan 8.270 nan 0.000 0.448 640 Q N 1.537 121.217 119.800 -0.200 0.000 2.423 640 Q HA -0.223 4.117 4.340 -0.000 0.000 0.332 640 Q C -0.799 175.164 176.000 -0.062 0.000 1.355 640 Q CA 0.232 56.003 55.803 -0.054 0.000 0.947 640 Q CB -1.407 27.306 28.738 -0.042 0.000 1.189 640 Q HN 0.587 nan 8.270 nan 0.000 0.418 641 L N 1.469 122.667 121.223 -0.042 0.000 2.513 641 L HA 0.166 4.506 4.340 -0.000 0.000 0.272 641 L C -1.449 175.369 176.870 -0.086 0.000 1.187 641 L CA -1.646 53.158 54.840 -0.060 0.000 0.895 641 L CB -0.286 41.779 42.059 0.009 0.000 1.147 641 L HN 0.059 nan 8.230 nan 0.000 0.483 642 P HA 0.071 nan 4.420 nan 0.000 0.269 642 P C -1.148 176.108 177.300 -0.073 0.000 1.215 642 P CA -0.297 62.690 63.100 -0.189 0.000 0.780 642 P CB 0.372 31.817 31.700 -0.425 0.000 0.898 643 K N 1.354 121.738 120.400 -0.027 0.000 2.285 643 K HA 0.172 4.492 4.320 -0.000 0.000 0.286 643 K C 0.886 177.505 176.600 0.030 0.000 1.072 643 K CA -0.625 55.668 56.287 0.010 0.000 0.913 643 K CB 0.451 32.962 32.500 0.018 0.000 1.067 643 K HN 0.078 nan 8.250 nan 0.000 0.479 644 V N 2.812 122.754 119.914 0.046 0.000 3.025 644 V HA -0.300 3.820 4.120 -0.000 0.000 0.269 644 V C 0.355 176.502 176.094 0.087 0.000 1.159 644 V CA 1.386 63.737 62.300 0.086 0.000 1.171 644 V CB -2.112 29.765 31.823 0.090 0.000 0.762 644 V HN 1.077 nan 8.190 nan 0.000 0.530 645 N N -0.978 117.760 118.700 0.063 0.000 5.702 645 N HA -0.105 4.635 4.740 -0.000 0.000 0.387 645 N C -0.567 174.971 175.510 0.047 0.000 1.421 645 N CA 0.787 53.869 53.050 0.053 0.000 2.374 645 N CB -0.001 38.521 38.487 0.059 0.000 0.610 645 N HN 0.676 nan 8.380 nan 0.000 0.619 646 K N -0.890 119.532 120.400 0.037 0.000 5.356 646 K HA -0.006 4.314 4.320 -0.000 0.000 0.692 646 K C -1.874 174.741 176.600 0.025 0.000 0.992 646 K CA -0.349 55.956 56.287 0.031 0.000 0.975 646 K CB -0.539 31.980 32.500 0.030 0.000 1.773 646 K HN 0.557 nan 8.250 nan 0.000 0.852 647 N N 2.113 120.826 118.700 0.021 0.000 2.634 647 N HA -0.048 4.691 4.740 -0.000 0.000 0.312 647 N C -0.726 174.794 175.510 0.017 0.000 1.186 647 N CA 0.495 53.556 53.050 0.018 0.000 1.168 647 N CB -0.418 38.078 38.487 0.015 0.000 1.436 647 N HN 0.346 nan 8.380 nan 0.000 0.514 648 K N 0.560 120.971 120.400 0.018 0.000 4.102 648 K HA -0.268 4.052 4.320 -0.000 0.000 0.221 648 K C 0.375 176.983 176.600 0.013 0.000 0.570 648 K CA 0.356 56.653 56.287 0.017 0.000 0.783 648 K CB -0.473 32.037 32.500 0.016 0.000 1.628 648 K HN 0.504 nan 8.250 nan 0.000 0.366 649 N N -1.069 117.640 118.700 0.014 0.000 2.011 649 N HA -0.040 4.700 4.740 -0.000 0.000 0.254 649 N C -0.386 175.132 175.510 0.014 0.000 1.205 649 N CA 0.058 53.115 53.050 0.012 0.000 0.783 649 N CB 0.710 39.203 38.487 0.010 0.000 1.472 649 N HN 0.169 nan 8.380 nan 0.000 0.524 650 S N 0.242 115.953 115.700 0.018 0.000 2.603 650 S HA 0.550 5.020 4.470 -0.000 0.000 0.268 650 S C 0.063 174.678 174.600 0.025 0.000 1.317 650 S CA -0.374 57.839 58.200 0.022 0.000 1.012 650 S CB 0.250 63.465 63.200 0.025 0.000 0.926 650 S HN 0.177 nan 8.310 nan 0.000 0.539 651 I N 2.810 123.397 120.570 0.029 0.000 2.525 651 I HA 0.322 4.492 4.170 -0.000 0.000 0.301 651 I C -0.157 175.988 176.117 0.046 0.000 0.992 651 I CA -1.127 60.193 61.300 0.033 0.000 1.162 651 I CB 1.906 39.922 38.000 0.028 0.000 1.332 651 I HN 0.415 nan 8.210 nan 0.000 0.458 652 V N 1.420 121.364 119.914 0.051 0.000 2.872 652 V HA 0.083 4.203 4.120 -0.000 0.000 0.307 652 V C -0.440 175.708 176.094 0.089 0.000 1.072 652 V CA -0.126 62.216 62.300 0.071 0.000 1.148 652 V CB 0.156 32.020 31.823 0.069 0.000 0.954 652 V HN 0.630 nan 8.190 nan 0.000 0.490 653 D N 3.495 123.973 120.400 0.129 0.000 2.441 653 D HA 0.334 4.974 4.640 -0.000 0.000 0.287 653 D C -2.680 173.753 176.300 0.222 0.000 1.198 653 D CA -1.032 53.064 54.000 0.161 0.000 0.894 653 D CB 1.305 42.227 40.800 0.203 0.000 1.070 653 D HN 0.503 nan 8.370 nan 0.000 0.499 654 P HA 0.144 nan 4.420 nan 0.000 0.275 654 P C -0.272 177.355 177.300 0.546 0.000 1.227 654 P CA -0.307 63.012 63.100 0.364 0.000 0.781 654 P CB 1.407 33.372 31.700 0.443 0.000 0.906 655 K N 0.712 121.309 120.400 0.328 0.000 2.482 655 K HA 0.673 4.992 4.320 -0.000 0.000 0.257 655 K C -1.632 174.866 176.600 -0.169 0.000 0.969 655 K CA -1.110 55.261 56.287 0.140 0.000 0.842 655 K CB 1.674 34.249 32.500 0.124 0.000 1.359 655 K HN 0.115 nan 8.250 nan 0.000 0.441 656 V N 2.578 122.233 119.914 -0.431 0.000 2.604 656 V HA 0.461 4.581 4.120 -0.000 0.000 0.305 656 V C -0.406 175.603 176.094 -0.142 0.000 1.043 656 V CA -0.925 61.172 62.300 -0.338 0.000 0.888 656 V CB 1.561 33.053 31.823 -0.553 0.000 0.995 656 V HN 0.661 nan 8.190 nan 0.000 0.429 657 I N 4.333 124.855 120.570 -0.080 0.000 2.441 657 I HA 0.580 4.750 4.170 -0.000 0.000 0.295 657 I C -0.566 175.484 176.117 -0.112 0.000 0.994 657 I CA -0.727 60.520 61.300 -0.089 0.000 1.144 657 I CB 1.968 39.942 38.000 -0.043 0.000 1.314 657 I HN 0.253 nan 8.210 nan 0.000 0.445 658 V N 5.673 125.467 119.914 -0.201 0.000 2.531 658 V HA 0.410 4.530 4.120 -0.000 0.000 0.301 658 V C -0.329 175.606 176.094 -0.266 0.000 1.034 658 V CA -0.616 61.508 62.300 -0.294 0.000 0.865 658 V CB 2.210 33.894 31.823 -0.232 0.000 0.995 658 V HN 0.751 nan 8.190 nan 0.000 0.424 659 E N 4.697 124.718 120.200 -0.299 0.000 2.288 659 E HA 0.616 4.966 4.350 -0.000 0.000 0.268 659 E C -1.458 175.019 176.600 -0.205 0.000 0.885 659 E CA -0.919 55.392 56.400 -0.148 0.000 0.767 659 E CB 2.756 32.524 29.700 0.112 0.000 1.220 659 E HN 0.344 nan 8.360 nan 0.000 0.427 660 I N 2.575 123.088 120.570 -0.094 0.000 2.378 660 I HA 0.313 4.483 4.170 -0.000 0.000 0.291 660 I C -0.566 175.681 176.117 0.216 0.000 0.992 660 I CA -0.690 60.582 61.300 -0.047 0.000 1.154 660 I CB 0.642 38.568 38.000 -0.123 0.000 1.315 660 I HN 0.514 nan 8.210 nan 0.000 0.448 661 H N 3.484 122.524 119.070 -0.049 0.000 2.524 661 H HA 0.874 5.430 4.556 -0.000 0.000 0.353 661 H C 0.522 175.858 175.328 0.013 0.000 1.136 661 H CA -0.641 55.403 56.048 -0.007 0.000 1.193 661 H CB 2.082 31.856 29.762 0.020 0.000 1.558 661 H HN 0.859 nan 8.280 nan 0.000 0.515 662 G N -0.058 108.806 108.800 0.108 0.000 2.404 662 G HA2 0.235 4.195 3.960 -0.000 0.000 0.253 662 G HA3 0.235 4.195 3.960 -0.000 0.000 0.253 662 G C -0.815 174.117 174.900 0.053 0.000 1.253 662 G CA -0.307 44.843 45.100 0.083 0.000 0.917 662 G HN 0.747 nan 8.290 nan 0.000 0.480 663 V N 0.767 120.713 119.914 0.053 0.000 2.928 663 V HA 0.467 4.587 4.120 -0.000 0.000 0.307 663 V C 1.871 177.975 176.094 0.018 0.000 1.105 663 V CA 1.389 63.719 62.300 0.049 0.000 1.223 663 V CB 0.498 32.369 31.823 0.080 0.000 0.930 663 V HN 2.116 nan 8.190 nan 0.000 0.499 664 G N 3.967 112.769 108.800 0.003 0.000 2.505 664 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.220 664 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.220 664 G C 1.467 176.369 174.900 0.003 0.000 1.145 664 G CA 1.171 46.266 45.100 -0.008 0.000 0.761 664 G HN 1.131 nan 8.290 nan 0.000 0.571 665 R N 0.072 120.584 120.500 0.020 0.000 2.189 665 R HA -0.004 4.336 4.340 -0.000 0.000 0.223 665 R C 1.242 177.555 176.300 0.022 0.000 1.092 665 R CA 1.672 57.792 56.100 0.033 0.000 0.989 665 R CB -0.249 30.095 30.300 0.072 0.000 0.876 665 R HN 0.165 nan 8.270 nan 0.000 0.457 666 D N 1.232 121.636 120.400 0.006 0.000 2.305 666 D HA -0.046 4.594 4.640 -0.000 0.000 0.206 666 D C 0.289 176.598 176.300 0.014 0.000 0.974 666 D CA 1.133 55.128 54.000 -0.008 0.000 0.871 666 D CB 0.056 40.825 40.800 -0.053 0.000 0.947 666 D HN 0.386 nan 8.370 nan 0.000 0.516 667 T N -0.661 113.896 114.554 0.004 0.000 2.908 667 T HA 0.454 4.804 4.350 -0.000 0.000 0.301 667 T C 0.496 175.209 174.700 0.021 0.000 1.019 667 T CA -0.270 61.827 62.100 -0.006 0.000 1.152 667 T CB 1.395 70.228 68.868 -0.058 0.000 0.966 667 T HN 0.064 nan 8.240 nan 0.000 0.540 668 G N 0.707 109.537 108.800 0.050 0.000 2.660 668 G HA2 0.612 4.572 3.960 -0.000 0.000 0.290 668 G HA3 0.612 4.572 3.960 -0.000 0.000 0.290 668 G C -1.302 173.658 174.900 0.101 0.000 1.432 668 G CA -0.578 44.585 45.100 0.104 0.000 0.807 668 G HN 1.123 nan 8.290 nan 0.000 0.485 669 S N -0.613 115.143 115.700 0.094 0.000 2.535 669 S HA 0.812 5.282 4.470 -0.000 0.000 0.272 669 S C -1.241 173.319 174.600 -0.066 0.000 1.149 669 S CA -0.820 57.395 58.200 0.024 0.000 0.888 669 S CB 1.590 64.781 63.200 -0.015 0.000 1.110 669 S HN 0.749 nan 8.310 nan 0.000 0.463 670 R N 2.041 122.408 120.500 -0.222 0.000 2.774 670 R HA 0.516 4.856 4.340 -0.000 0.000 0.272 670 R C -1.256 174.709 176.300 -0.558 0.000 1.000 670 R CA -0.752 55.039 56.100 -0.516 0.000 0.906 670 R CB 1.861 31.500 30.300 -1.101 0.000 1.227 670 R HN 0.905 nan 8.270 nan 0.000 0.468 671 Q N -0.353 119.212 119.800 -0.391 0.000 2.421 671 Q HA 0.515 4.855 4.340 -0.000 0.000 0.280 671 Q C -0.657 175.413 176.000 0.116 0.000 1.085 671 Q CA -0.806 54.911 55.803 -0.145 0.000 0.807 671 Q CB 2.291 30.991 28.738 -0.062 0.000 1.405 671 Q HN 0.661 nan 8.270 nan 0.000 0.419 672 T N -1.100 113.544 114.554 0.150 0.000 2.852 672 T HA 0.768 5.118 4.350 -0.000 0.000 0.281 672 T C 0.454 175.224 174.700 0.117 0.000 0.993 672 T CA -0.083 62.110 62.100 0.155 0.000 0.933 672 T CB 0.906 69.661 68.868 -0.188 0.000 1.187 672 T HN 0.802 nan 8.240 nan 0.000 0.559 673 A N 0.126 123.074 122.820 0.215 0.000 2.259 673 A HA 0.634 4.954 4.320 -0.000 0.000 0.278 673 A C -0.009 177.761 177.584 0.311 0.000 1.107 673 A CA -0.799 51.356 52.037 0.196 0.000 0.828 673 A CB 0.165 19.276 19.000 0.186 0.000 1.111 673 A HN 0.803 nan 8.150 nan 0.000 0.498 674 V N 1.524 121.535 119.914 0.161 0.000 2.439 674 V HA 0.268 4.388 4.120 -0.000 0.000 0.282 674 V C -0.347 175.829 176.094 0.138 0.000 1.039 674 V CA -0.458 61.951 62.300 0.182 0.000 0.913 674 V CB 1.137 32.929 31.823 -0.051 0.000 0.983 674 V HN 0.569 nan 8.190 nan 0.000 0.460 675 I N 4.012 124.660 120.570 0.130 0.000 2.359 675 I HA 0.318 4.488 4.170 -0.000 0.000 0.294 675 I C 0.643 176.761 176.117 0.001 0.000 0.987 675 I CA -0.085 61.173 61.300 -0.070 0.000 1.225 675 I CB 1.624 39.420 38.000 -0.339 0.000 1.366 675 I HN 0.762 nan 8.210 nan 0.000 0.466 676 T N 2.657 117.208 114.554 -0.004 0.000 2.806 676 T HA 0.335 4.685 4.350 -0.000 0.000 0.290 676 T C 0.398 175.108 174.700 0.017 0.000 0.966 676 T CA -0.322 61.797 62.100 0.032 0.000 1.060 676 T CB 0.216 69.109 68.868 0.041 0.000 0.927 676 T HN 0.580 nan 8.240 nan 0.000 0.485 677 N N 1.680 120.402 118.700 0.038 0.000 2.727 677 N HA -0.184 4.556 4.740 -0.000 0.000 0.251 677 N C -1.242 174.276 175.510 0.013 0.000 1.040 677 N CA 0.780 53.846 53.050 0.028 0.000 0.712 677 N CB -1.151 37.350 38.487 0.022 0.000 0.912 677 N HN 0.854 nan 8.380 nan 0.000 0.545 678 N N -0.994 117.713 118.700 0.011 0.000 2.697 678 N HA 0.442 5.182 4.740 -0.000 0.000 0.271 678 N C 0.396 175.911 175.510 0.007 0.000 1.149 678 N CA 0.228 53.279 53.050 0.001 0.000 0.939 678 N CB 0.810 39.265 38.487 -0.054 0.000 1.534 678 N HN 0.156 nan 8.380 nan 0.000 0.556 679 G N 1.148 109.979 108.800 0.052 0.000 2.944 679 G HA2 0.002 3.962 3.960 -0.000 0.000 0.223 679 G HA3 0.002 3.962 3.960 -0.000 0.000 0.223 679 G C 0.759 175.700 174.900 0.069 0.000 1.071 679 G CA -0.077 45.055 45.100 0.054 0.000 0.806 679 G HN 0.465 nan 8.290 nan 0.000 0.538 680 F N 2.969 122.878 119.950 -0.068 0.000 2.163 680 F HA 0.094 4.621 4.527 -0.000 0.000 0.297 680 F C 0.975 176.720 175.800 -0.091 0.000 1.094 680 F CA 1.355 59.305 58.000 -0.083 0.000 1.290 680 F CB 0.455 39.399 39.000 -0.094 0.000 1.017 680 F HN 0.293 nan 8.300 nan 0.000 0.483 681 N N -1.428 117.164 118.700 -0.179 0.000 2.570 681 N HA 0.152 4.892 4.740 -0.000 0.000 0.261 681 N C -3.272 172.100 175.510 -0.231 0.000 1.540 681 N CA -1.398 51.469 53.050 -0.305 0.000 0.959 681 N CB -0.938 37.296 38.487 -0.422 0.000 1.449 681 N HN 0.021 nan 8.380 nan 0.000 0.519 682 P HA 0.113 nan 4.420 nan 0.000 0.268 682 P C -0.489 176.454 177.300 -0.595 0.000 1.208 682 P CA 0.061 62.834 63.100 -0.545 0.000 0.777 682 P CB 0.916 32.102 31.700 -0.857 0.000 0.875 683 R N 2.035 122.167 120.500 -0.614 0.000 2.502 683 R HA 0.340 4.680 4.340 -0.000 0.000 0.300 683 R C 0.114 176.205 176.300 -0.348 0.000 0.984 683 R CA -0.439 55.465 56.100 -0.326 0.000 0.882 683 R CB 0.638 30.842 30.300 -0.159 0.000 1.180 683 R HN 0.501 nan 8.270 nan 0.000 0.444 684 W N 1.593 122.900 121.300 0.012 0.000 2.798 684 W HA 0.176 4.836 4.660 0.000 0.000 0.260 684 W C -0.143 176.365 176.519 -0.018 0.000 1.165 684 W CA 0.057 57.402 57.345 0.001 0.000 1.501 684 W CB 0.385 29.849 29.460 0.007 0.000 1.023 684 W HN 0.593 nan 8.180 nan 0.000 0.615 685 D N 0.960 121.500 120.400 0.232 0.000 2.689 685 D HA -0.204 4.436 4.640 -0.000 0.000 0.237 685 D C -0.372 175.949 176.300 0.035 0.000 1.148 685 D CA 1.088 55.153 54.000 0.107 0.000 0.656 685 D CB -1.125 39.720 40.800 0.075 0.000 1.050 685 D HN 0.037 nan 8.370 nan 0.000 0.426 686 M N 0.738 120.324 119.600 -0.022 0.000 2.436 686 M HA 0.437 4.917 4.480 -0.000 0.000 0.331 686 M C -0.639 175.384 176.300 -0.460 0.000 1.135 686 M CA -0.326 54.845 55.300 -0.215 0.000 0.987 686 M CB 1.914 34.376 32.600 -0.229 0.000 1.687 686 M HN 0.033 nan 8.290 nan 0.000 0.445 687 E N 2.684 122.583 120.200 -0.501 0.000 2.238 687 E HA 0.605 4.955 4.350 -0.000 0.000 0.267 687 E C -1.894 174.389 176.600 -0.529 0.000 0.887 687 E CA -0.560 55.553 56.400 -0.479 0.000 0.769 687 E CB 1.264 30.845 29.700 -0.198 0.000 1.187 687 E HN 0.620 nan 8.360 nan 0.000 0.416 688 F N 1.105 121.051 119.950 -0.006 0.000 2.593 688 F HA 0.434 4.961 4.527 0.000 0.000 0.320 688 F C -0.105 175.636 175.800 -0.098 0.000 1.060 688 F CA -0.900 57.044 58.000 -0.093 0.000 0.940 688 F CB 1.946 40.926 39.000 -0.033 0.000 1.268 688 F HN 0.412 nan 8.300 nan 0.000 0.475 689 E N 1.273 121.413 120.200 -0.101 0.000 2.272 689 E HA 0.683 5.033 4.350 -0.000 0.000 0.269 689 E C -2.130 174.278 176.600 -0.321 0.000 0.877 689 E CA -0.465 55.898 56.400 -0.061 0.000 0.755 689 E CB 1.573 31.254 29.700 -0.032 0.000 1.192 689 E HN 0.394 nan 8.360 nan 0.000 0.422 690 F N 1.425 121.413 119.950 0.063 0.000 2.588 690 F HA 0.344 4.871 4.527 -0.000 0.000 0.310 690 F C -0.350 175.471 175.800 0.036 0.000 1.082 690 F CA -0.966 57.060 58.000 0.043 0.000 0.929 690 F CB 2.096 41.126 39.000 0.051 0.000 1.254 690 F HN 0.437 nan 8.300 nan 0.000 0.455 691 E N 1.488 121.779 120.200 0.153 0.000 2.151 691 E HA 0.689 5.039 4.350 -0.000 0.000 0.275 691 E C -1.915 174.682 176.600 -0.006 0.000 0.936 691 E CA -0.481 55.951 56.400 0.053 0.000 0.777 691 E CB 1.555 31.262 29.700 0.012 0.000 1.108 691 E HN 0.426 nan 8.360 nan 0.000 0.401 692 V N 5.230 125.073 119.914 -0.119 0.000 2.443 692 V HA 0.191 4.311 4.120 -0.000 0.000 0.293 692 V C 0.933 176.779 176.094 -0.413 0.000 1.021 692 V CA -0.008 62.126 62.300 -0.277 0.000 0.848 692 V CB 1.320 32.853 31.823 -0.483 0.000 0.998 692 V HN 1.013 nan 8.190 nan 0.000 0.424 693 T N 1.445 115.739 114.554 -0.433 0.000 3.035 693 T HA 0.047 4.397 4.350 -0.000 0.000 0.259 693 T C 0.577 174.931 174.700 -0.575 0.000 1.078 693 T CA 0.498 62.163 62.100 -0.724 0.000 1.132 693 T CB 0.201 68.520 68.868 -0.916 0.000 0.900 693 T HN 0.350 nan 8.240 nan 0.000 0.480 694 V N 3.514 123.226 119.914 -0.336 0.000 2.454 694 V HA 0.296 4.416 4.120 -0.000 0.000 0.255 694 V C -1.657 174.269 176.094 -0.279 0.000 1.009 694 V CA -1.616 60.580 62.300 -0.174 0.000 1.149 694 V CB 0.890 32.733 31.823 0.033 0.000 1.418 694 V HN 0.212 nan 8.190 nan 0.000 0.567 695 P HA -0.182 nan 4.420 nan 0.000 0.218 695 P C 0.964 177.970 177.300 -0.490 0.000 1.146 695 P CA 1.291 63.818 63.100 -0.955 0.000 0.813 695 P CB 0.439 31.225 31.700 -1.523 0.000 0.778 696 D N -0.574 119.694 120.400 -0.219 0.000 2.309 696 D HA -0.041 4.599 4.640 -0.000 0.000 0.212 696 D C 1.610 177.870 176.300 -0.066 0.000 0.968 696 D CA 0.841 54.787 54.000 -0.090 0.000 0.882 696 D CB -0.013 40.754 40.800 -0.055 0.000 0.918 696 D HN 0.315 nan 8.370 nan 0.000 0.503 697 L N -0.323 120.875 121.223 -0.040 0.000 2.808 697 L HA 0.301 4.641 4.340 -0.000 0.000 0.246 697 L C 0.717 177.608 176.870 0.036 0.000 1.153 697 L CA -0.305 54.546 54.840 0.017 0.000 0.956 697 L CB 0.600 42.714 42.059 0.090 0.000 1.270 697 L HN -0.181 nan 8.230 nan 0.000 0.528 698 A N 0.619 123.433 122.820 -0.011 0.000 2.279 698 A HA 0.799 5.119 4.320 -0.000 0.000 0.303 698 A C -0.747 176.924 177.584 0.144 0.000 1.108 698 A CA -0.161 51.904 52.037 0.047 0.000 0.830 698 A CB 0.873 19.830 19.000 -0.072 0.000 1.106 698 A HN 0.133 nan 8.150 nan 0.000 0.493 699 L N 0.319 121.620 121.223 0.130 0.000 2.445 699 L HA 0.516 4.856 4.340 -0.000 0.000 0.262 699 L C -0.872 175.982 176.870 -0.027 0.000 0.974 699 L CA -0.407 54.471 54.840 0.064 0.000 0.822 699 L CB 2.308 44.386 42.059 0.031 0.000 1.339 699 L HN 0.403 nan 8.230 nan 0.000 0.409 700 V N 2.200 122.065 119.914 -0.082 0.000 2.417 700 V HA 0.613 4.733 4.120 -0.000 0.000 0.291 700 V C -0.314 175.619 176.094 -0.268 0.000 1.024 700 V CA -0.596 61.568 62.300 -0.226 0.000 0.861 700 V CB 1.732 33.412 31.823 -0.238 0.000 0.985 700 V HN 0.716 nan 8.190 nan 0.000 0.436 701 R N 3.833 124.089 120.500 -0.407 0.000 2.534 701 R HA 0.624 4.964 4.340 -0.000 0.000 0.301 701 R C -1.825 174.251 176.300 -0.373 0.000 0.961 701 R CA -0.513 55.418 56.100 -0.282 0.000 0.871 701 R CB 1.306 31.420 30.300 -0.310 0.000 1.170 701 R HN 0.511 nan 8.270 nan 0.000 0.446 702 F N 4.606 124.532 119.950 -0.041 0.000 2.427 702 F HA 0.458 4.985 4.527 -0.000 0.000 0.346 702 F C 0.255 176.045 175.800 -0.017 0.000 1.120 702 F CA -0.625 57.355 58.000 -0.032 0.000 1.033 702 F CB 1.896 40.880 39.000 -0.026 0.000 1.126 702 F HN 0.328 nan 8.300 nan 0.000 0.462 703 M N 4.450 124.111 119.600 0.103 0.000 2.326 703 M HA 0.717 5.197 4.480 -0.000 0.000 0.306 703 M C -2.013 174.269 176.300 -0.030 0.000 1.054 703 M CA -0.629 54.703 55.300 0.054 0.000 0.922 703 M CB 1.625 34.283 32.600 0.098 0.000 1.632 703 M HN 0.281 nan 8.290 nan 0.000 0.436 704 V N 4.076 123.911 119.914 -0.132 0.000 2.384 704 V HA 0.522 4.642 4.120 -0.000 0.000 0.287 704 V C -0.514 175.488 176.094 -0.153 0.000 1.020 704 V CA -0.583 61.638 62.300 -0.132 0.000 0.850 704 V CB 1.463 33.219 31.823 -0.111 0.000 0.987 704 V HN 0.881 nan 8.190 nan 0.000 0.436 705 E N 2.085 122.269 120.200 -0.028 0.000 2.263 705 E HA 0.411 4.761 4.350 -0.000 0.000 0.264 705 E C -1.305 175.351 176.600 0.094 0.000 0.923 705 E CA -0.834 55.587 56.400 0.035 0.000 0.802 705 E CB 2.270 32.027 29.700 0.095 0.000 1.228 705 E HN 0.670 nan 8.360 nan 0.000 0.417 706 D N 1.656 122.117 120.400 0.100 0.000 2.412 706 D HA 0.061 4.701 4.640 -0.000 0.000 0.224 706 D C -1.293 175.097 176.300 0.150 0.000 1.093 706 D CA -0.453 53.622 54.000 0.125 0.000 0.850 706 D CB 0.013 40.864 40.800 0.086 0.000 1.046 706 D HN 0.307 nan 8.370 nan 0.000 0.507 707 Y N 3.038 123.385 120.300 0.079 0.000 2.620 707 Y HA 0.238 4.788 4.550 -0.000 0.000 0.330 707 Y C -0.490 175.446 175.900 0.061 0.000 1.186 707 Y CA 0.400 58.543 58.100 0.072 0.000 1.467 707 Y CB 0.626 39.135 38.460 0.082 0.000 1.262 707 Y HN 0.303 nan 8.280 nan 0.000 0.550 708 D N 2.900 122.795 120.400 -0.842 0.000 2.788 708 D HA 0.239 4.879 4.640 -0.000 0.000 0.247 708 D C 0.273 176.016 176.300 -0.928 0.000 1.236 708 D CA -0.083 53.493 54.000 -0.706 0.000 0.898 708 D CB 1.602 42.241 40.800 -0.269 0.000 1.401 708 D HN 0.541 nan 8.370 nan 0.000 0.549 709 S N 0.952 116.263 115.700 -0.649 0.000 2.371 709 S HA -0.143 4.327 4.470 -0.000 0.000 0.224 709 S C 1.656 176.172 174.600 -0.140 0.000 1.029 709 S CA 0.907 58.947 58.200 -0.266 0.000 0.978 709 S CB -0.227 62.975 63.200 0.003 0.000 0.833 709 S HN 0.382 nan 8.310 nan 0.000 0.466 710 S N 1.603 117.231 115.700 -0.119 0.000 2.481 710 S HA 0.192 4.662 4.470 -0.000 0.000 0.231 710 S C 1.020 175.581 174.600 -0.064 0.000 0.996 710 S CA 0.389 58.551 58.200 -0.064 0.000 0.942 710 S CB -0.445 62.729 63.200 -0.043 0.000 0.768 710 S HN 0.865 nan 8.310 nan 0.000 0.520 711 S N -0.253 115.387 115.700 -0.100 0.000 2.724 711 S HA 0.474 4.944 4.470 -0.000 0.000 0.278 711 S C -1.396 173.157 174.600 -0.079 0.000 1.190 711 S CA -1.162 56.998 58.200 -0.067 0.000 0.860 711 S CB 0.893 64.067 63.200 -0.044 0.000 1.206 711 S HN 0.045 nan 8.310 nan 0.000 0.507 712 K N 1.088 121.467 120.400 -0.035 0.000 2.436 712 K HA 0.210 4.530 4.320 -0.000 0.000 0.275 712 K C -0.422 176.167 176.600 -0.019 0.000 0.999 712 K CA -0.162 56.118 56.287 -0.013 0.000 0.980 712 K CB 0.066 32.574 32.500 0.014 0.000 0.919 712 K HN 0.444 nan 8.250 nan 0.000 0.484 713 N N 2.698 121.398 118.700 0.001 0.000 2.513 713 N HA 0.028 4.768 4.740 -0.000 0.000 0.268 713 N C -0.729 174.825 175.510 0.074 0.000 1.180 713 N CA 0.080 53.144 53.050 0.024 0.000 0.948 713 N CB 0.502 39.038 38.487 0.081 0.000 1.083 713 N HN 0.376 nan 8.380 nan 0.000 0.455 714 D N 0.851 121.297 120.400 0.077 0.000 2.350 714 D HA 0.042 4.682 4.640 -0.000 0.000 0.249 714 D C -0.104 176.296 176.300 0.166 0.000 1.119 714 D CA -0.105 53.966 54.000 0.118 0.000 0.886 714 D CB 0.396 41.251 40.800 0.091 0.000 1.195 714 D HN 0.336 nan 8.370 nan 0.000 0.437 715 F N 2.293 122.277 119.950 0.056 0.000 2.467 715 F HA 0.202 4.729 4.527 0.000 0.000 0.362 715 F C 0.636 176.483 175.800 0.078 0.000 1.090 715 F CA -0.182 57.857 58.000 0.066 0.000 1.202 715 F CB 0.398 39.433 39.000 0.059 0.000 1.113 715 F HN 0.307 nan 8.300 nan 0.000 0.541 716 I N 3.764 124.040 120.570 -0.490 0.000 2.947 716 I HA 0.363 4.533 4.170 -0.000 0.000 0.263 716 I C 1.203 177.021 176.117 -0.498 0.000 1.130 716 I CA 0.567 61.674 61.300 -0.321 0.000 1.448 716 I CB -0.139 37.758 38.000 -0.172 0.000 1.222 716 I HN 0.743 nan 8.210 nan 0.000 0.453 717 G N -0.444 107.806 108.800 -0.917 0.000 2.559 717 G HA2 0.520 4.480 3.960 -0.000 0.000 0.291 717 G HA3 0.520 4.480 3.960 -0.000 0.000 0.291 717 G C -2.046 172.594 174.900 -0.434 0.000 1.424 717 G CA -0.236 44.577 45.100 -0.478 0.000 0.786 717 G HN -0.080 nan 8.290 nan 0.000 0.485 718 Q N -0.847 118.981 119.800 0.047 0.000 2.630 718 Q HA 0.703 5.043 4.340 -0.000 0.000 0.295 718 Q C -1.933 174.185 176.000 0.197 0.000 0.944 718 Q CA -0.684 55.228 55.803 0.181 0.000 0.766 718 Q CB 2.012 31.016 28.738 0.445 0.000 1.471 718 Q HN 1.162 nan 8.270 nan 0.000 0.416 719 S N 0.454 116.285 115.700 0.218 0.000 2.584 719 S HA 0.583 5.053 4.470 -0.000 0.000 0.280 719 S C -1.821 172.937 174.600 0.264 0.000 1.162 719 S CA -0.181 58.153 58.200 0.222 0.000 0.951 719 S CB 1.558 64.869 63.200 0.185 0.000 1.108 719 S HN 0.510 nan 8.310 nan 0.000 0.464 720 T N 5.244 119.927 114.554 0.214 0.000 2.812 720 T HA 0.601 4.951 4.350 -0.000 0.000 0.282 720 T C -0.672 174.157 174.700 0.215 0.000 0.990 720 T CA -0.355 61.837 62.100 0.152 0.000 0.960 720 T CB 0.594 69.504 68.868 0.071 0.000 0.948 720 T HN 0.560 nan 8.240 nan 0.000 0.438 721 I N 4.879 125.530 120.570 0.135 0.000 2.436 721 I HA 0.362 4.532 4.170 -0.000 0.000 0.289 721 I C -2.511 173.556 176.117 -0.083 0.000 1.010 721 I CA -2.863 58.446 61.300 0.014 0.000 1.098 721 I CB 2.340 40.320 38.000 -0.033 0.000 1.266 721 I HN 0.278 nan 8.210 nan 0.000 0.434 722 P HA -0.072 nan 4.420 nan 0.000 0.271 722 P C 0.580 177.843 177.300 -0.061 0.000 1.216 722 P CA -0.103 62.954 63.100 -0.073 0.000 0.771 722 P CB 0.687 32.323 31.700 -0.106 0.000 0.864 723 W N 4.311 125.533 121.300 -0.131 0.000 2.290 723 W HA -0.282 4.378 4.660 -0.000 0.000 0.328 723 W C 0.733 177.186 176.519 -0.111 0.000 1.272 723 W CA 1.880 59.156 57.345 -0.115 0.000 1.262 723 W CB -0.755 28.651 29.460 -0.089 0.000 1.151 723 W HN 0.362 nan 8.180 nan 0.000 0.473 724 N N 0.231 119.015 118.700 0.140 0.000 2.571 724 N HA -0.071 4.669 4.740 -0.000 0.000 0.189 724 N C 1.106 176.615 175.510 -0.002 0.000 1.154 724 N CA 1.143 54.240 53.050 0.078 0.000 0.907 724 N CB -0.093 38.494 38.487 0.167 0.000 0.977 724 N HN 0.033 nan 8.380 nan 0.000 0.449 725 S N -0.079 115.523 115.700 -0.163 0.000 2.559 725 S HA 0.162 4.632 4.470 -0.000 0.000 0.226 725 S C 0.313 174.626 174.600 -0.478 0.000 1.000 725 S CA -0.529 57.479 58.200 -0.320 0.000 0.948 725 S CB 0.680 63.566 63.200 -0.524 0.000 0.870 725 S HN 0.118 nan 8.310 nan 0.000 0.497 726 L N 3.887 124.847 121.223 -0.438 0.000 2.433 726 L HA 0.234 4.574 4.340 -0.000 0.000 0.275 726 L C 0.014 176.664 176.870 -0.366 0.000 1.128 726 L CA 0.402 54.992 54.840 -0.416 0.000 0.875 726 L CB 0.032 41.773 42.059 -0.531 0.000 1.171 726 L HN -0.079 nan 8.230 nan 0.000 0.463 727 K N 4.901 125.130 120.400 -0.284 0.000 2.144 727 K HA 0.317 4.637 4.320 -0.000 0.000 0.270 727 K C -0.394 176.066 176.600 -0.232 0.000 1.005 727 K CA -0.574 55.570 56.287 -0.239 0.000 0.932 727 K CB 1.280 33.671 32.500 -0.182 0.000 1.021 727 K HN 0.647 nan 8.250 nan 0.000 0.462 728 Q N -0.084 119.582 119.800 -0.224 0.000 2.180 728 Q HA 0.503 4.843 4.340 -0.000 0.000 0.241 728 Q C 0.450 176.299 176.000 -0.252 0.000 0.970 728 Q CA -0.546 55.112 55.803 -0.240 0.000 0.919 728 Q CB 1.370 29.968 28.738 -0.232 0.000 1.222 728 Q HN 0.859 nan 8.270 nan 0.000 0.482 729 G N -0.253 108.351 108.800 -0.327 0.000 2.508 729 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 729 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 729 G C -1.420 173.209 174.900 -0.452 0.000 1.287 729 G CA -0.748 44.098 45.100 -0.424 0.000 0.916 729 G HN 0.458 nan 8.290 nan 0.000 0.574 730 Y N 2.217 122.413 120.300 -0.173 0.000 2.336 730 Y HA 0.710 5.260 4.550 -0.000 0.000 0.335 730 Y C 1.367 177.113 175.900 -0.256 0.000 1.046 730 Y CA 0.017 57.969 58.100 -0.248 0.000 1.198 730 Y CB 1.066 39.562 38.460 0.060 0.000 1.182 730 Y HN 0.558 nan 8.280 nan 0.000 0.502 731 R N 1.160 121.481 120.500 -0.298 0.000 2.781 731 R HA 0.409 4.749 4.340 -0.000 0.000 0.269 731 R C -1.605 174.501 176.300 -0.324 0.000 1.025 731 R CA -1.358 54.608 56.100 -0.223 0.000 0.914 731 R CB 1.608 31.793 30.300 -0.191 0.000 1.236 731 R HN 0.700 nan 8.270 nan 0.000 0.465 732 H N -0.686 118.391 119.070 0.012 0.000 2.469 732 H HA 0.437 4.993 4.556 -0.000 0.000 0.342 732 H C -0.574 174.754 175.328 -0.000 0.000 1.115 732 H CA -0.561 55.503 56.048 0.026 0.000 1.204 732 H CB 2.065 31.843 29.762 0.027 0.000 1.492 732 H HN 0.033 nan 8.280 nan 0.000 0.499 733 V N 4.000 123.896 119.914 -0.030 0.000 2.364 733 V HA 0.085 4.205 4.120 -0.000 0.000 0.272 733 V C -0.417 175.668 176.094 -0.015 0.000 1.036 733 V CA -0.664 61.574 62.300 -0.104 0.000 0.880 733 V CB 0.292 31.828 31.823 -0.477 0.000 0.991 733 V HN 0.792 nan 8.190 nan 0.000 0.460 734 H N 4.947 123.999 119.070 -0.029 0.000 2.846 734 H HA 0.417 4.973 4.556 -0.000 0.000 0.278 734 H C -0.004 175.341 175.328 0.028 0.000 1.117 734 H CA -0.379 55.671 56.048 0.003 0.000 1.406 734 H CB 0.287 30.049 29.762 -0.000 0.000 1.445 734 H HN 0.502 nan 8.280 nan 0.000 0.469 735 L N 4.381 125.658 121.223 0.091 0.000 2.453 735 L HA 0.123 4.463 4.340 -0.000 0.000 0.272 735 L C 0.114 177.098 176.870 0.189 0.000 1.182 735 L CA 0.079 54.995 54.840 0.127 0.000 0.858 735 L CB 0.302 42.415 42.059 0.090 0.000 1.120 735 L HN 0.396 nan 8.230 nan 0.000 0.474 736 L N 1.987 123.312 121.223 0.170 0.000 2.334 736 L HA 0.470 4.810 4.340 -0.000 0.000 0.272 736 L C 0.536 177.510 176.870 0.174 0.000 1.020 736 L CA -0.581 54.323 54.840 0.107 0.000 0.812 736 L CB 1.973 44.092 42.059 0.100 0.000 1.264 736 L HN 0.744 nan 8.230 nan 0.000 0.439 737 S N 0.227 115.918 115.700 -0.015 0.000 2.655 737 S HA 0.207 4.677 4.470 -0.000 0.000 0.265 737 S C 0.893 175.607 174.600 0.191 0.000 1.240 737 S CA -0.565 57.717 58.200 0.137 0.000 0.986 737 S CB 1.173 64.308 63.200 -0.108 0.000 0.985 737 S HN 0.651 nan 8.310 nan 0.000 0.562 738 K N 0.640 121.125 120.400 0.143 0.000 2.127 738 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 738 K C 1.049 177.581 176.600 -0.113 0.000 1.047 738 K CA 1.810 57.984 56.287 -0.187 0.000 0.927 738 K CB -0.379 32.028 32.500 -0.155 0.000 0.716 738 K HN 0.584 nan 8.250 nan 0.000 0.450 739 N N -0.762 117.907 118.700 -0.052 0.000 2.383 739 N HA 0.012 4.752 4.740 -0.000 0.000 0.192 739 N C 0.873 176.357 175.510 -0.042 0.000 1.141 739 N CA 1.000 54.019 53.050 -0.052 0.000 0.851 739 N CB 1.154 39.619 38.487 -0.037 0.000 0.976 739 N HN 0.410 nan 8.380 nan 0.000 0.465 740 G N 0.746 109.529 108.800 -0.029 0.000 2.176 740 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.253 740 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.253 740 G C -0.325 174.559 174.900 -0.026 0.000 0.979 740 G CA -0.124 44.967 45.100 -0.015 0.000 0.641 740 G HN 0.293 nan 8.290 nan 0.000 0.530 741 D N 1.002 121.368 120.400 -0.058 0.000 2.372 741 D HA 0.307 4.947 4.640 -0.000 0.000 0.243 741 D C 0.632 176.858 176.300 -0.124 0.000 1.121 741 D CA 0.145 54.095 54.000 -0.083 0.000 0.898 741 D CB 0.616 41.353 40.800 -0.105 0.000 1.202 741 D HN 0.164 nan 8.370 nan 0.000 0.428 742 Q N 1.065 120.821 119.800 -0.073 0.000 2.304 742 Q HA 0.057 4.397 4.340 -0.000 0.000 0.260 742 Q C -0.326 175.650 176.000 -0.040 0.000 0.965 742 Q CA 0.113 55.897 55.803 -0.031 0.000 0.898 742 Q CB 0.687 29.433 28.738 0.012 0.000 1.196 742 Q HN 0.335 nan 8.270 nan 0.000 0.402 743 H N 5.241 124.344 119.070 0.056 0.000 2.741 743 H HA 0.107 4.663 4.556 -0.000 0.000 0.282 743 H C -1.269 174.079 175.328 0.033 0.000 1.122 743 H CA -2.171 53.902 56.048 0.040 0.000 1.293 743 H CB 0.866 30.646 29.762 0.030 0.000 1.415 743 H HN 0.412 nan 8.280 nan 0.000 0.472 744 P HA -0.203 nan 4.420 nan 0.000 0.222 744 P C 0.624 177.959 177.300 0.058 0.000 1.157 744 P CA 1.588 64.748 63.100 0.100 0.000 0.905 744 P CB 0.423 32.171 31.700 0.080 0.000 0.792 745 S N -2.526 113.189 115.700 0.026 0.000 2.701 745 S HA 0.504 4.974 4.470 -0.000 0.000 0.242 745 S C 0.806 175.347 174.600 -0.098 0.000 1.025 745 S CA -0.237 57.934 58.200 -0.048 0.000 1.016 745 S CB 0.421 63.596 63.200 -0.043 0.000 0.977 745 S HN 0.295 nan 8.310 nan 0.000 0.546 746 A N 2.602 125.378 122.820 -0.072 0.000 2.269 746 A HA 0.664 4.984 4.320 -0.000 0.000 0.302 746 A C 0.464 177.974 177.584 -0.123 0.000 1.266 746 A CA -0.294 51.678 52.037 -0.108 0.000 0.894 746 A CB 0.056 18.963 19.000 -0.155 0.000 1.147 746 A HN 0.392 nan 8.150 nan 0.000 0.537 747 T N 0.017 114.482 114.554 -0.149 0.000 2.841 747 T HA 0.750 5.100 4.350 -0.000 0.000 0.296 747 T C -0.669 174.016 174.700 -0.026 0.000 1.166 747 T CA -0.787 61.214 62.100 -0.165 0.000 1.007 747 T CB 1.017 69.704 68.868 -0.302 0.000 1.253 747 T HN 0.418 nan 8.240 nan 0.000 0.511 748 L N 1.037 122.263 121.223 0.005 0.000 2.362 748 L HA 0.685 5.025 4.340 -0.000 0.000 0.271 748 L C -1.368 175.573 176.870 0.119 0.000 1.002 748 L CA -1.063 53.815 54.840 0.063 0.000 0.818 748 L CB 2.148 44.172 42.059 -0.058 0.000 1.298 748 L HN 0.686 nan 8.230 nan 0.000 0.420 749 F N 4.132 124.065 119.950 -0.029 0.000 2.411 749 F HA 0.661 5.188 4.527 -0.000 0.000 0.352 749 F C -0.313 175.412 175.800 -0.126 0.000 1.123 749 F CA -0.697 57.175 58.000 -0.213 0.000 1.044 749 F CB 1.302 40.201 39.000 -0.168 0.000 1.135 749 F HN 0.132 nan 8.300 nan 0.000 0.461 750 V N 2.799 122.256 119.914 -0.762 0.000 3.160 750 V HA 0.684 4.803 4.120 -0.000 0.000 0.310 750 V C -1.589 174.147 176.094 -0.597 0.000 1.181 750 V CA -1.218 60.770 62.300 -0.521 0.000 1.047 750 V CB 1.960 33.613 31.823 -0.283 0.000 1.068 750 V HN 0.765 nan 8.190 nan 0.000 0.441 751 K N 1.467 121.636 120.400 -0.386 0.000 2.502 751 K HA 0.745 5.065 4.320 -0.000 0.000 0.254 751 K C -1.644 174.780 176.600 -0.294 0.000 0.947 751 K CA -0.529 55.496 56.287 -0.437 0.000 0.834 751 K CB 1.526 33.732 32.500 -0.489 0.000 1.112 751 K HN 0.813 nan 8.250 nan 0.000 0.427 752 I N 2.659 123.054 120.570 -0.291 0.000 2.441 752 I HA 0.349 4.519 4.170 -0.000 0.000 0.295 752 I C -0.527 175.454 176.117 -0.228 0.000 0.994 752 I CA -0.606 60.570 61.300 -0.207 0.000 1.144 752 I CB 2.072 39.954 38.000 -0.196 0.000 1.314 752 I HN 0.639 nan 8.210 nan 0.000 0.445 753 S N 7.187 122.784 115.700 -0.172 0.000 2.575 753 S HA 0.696 5.166 4.470 -0.000 0.000 0.278 753 S C -1.116 173.419 174.600 -0.110 0.000 1.139 753 S CA -0.613 57.491 58.200 -0.159 0.000 0.954 753 S CB 1.157 64.269 63.200 -0.147 0.000 1.054 753 S HN 0.479 nan 8.310 nan 0.000 0.483 754 I N 3.844 124.347 120.570 -0.111 0.000 2.418 754 I HA 0.500 4.670 4.170 -0.000 0.000 0.287 754 I C -0.347 175.769 176.117 -0.002 0.000 1.008 754 I CA -0.402 60.873 61.300 -0.042 0.000 1.104 754 I CB 1.892 39.830 38.000 -0.104 0.000 1.264 754 I HN 0.695 nan 8.210 nan 0.000 0.438 755 Q N 5.235 125.058 119.800 0.038 0.000 2.372 755 Q HA 0.410 4.750 4.340 -0.000 0.000 0.273 755 Q C -1.718 174.307 176.000 0.040 0.000 1.078 755 Q CA -0.645 55.173 55.803 0.025 0.000 0.806 755 Q CB 2.882 31.625 28.738 0.007 0.000 1.332 755 Q HN 0.623 nan 8.270 nan 0.000 0.435 756 D N 0.000 120.416 120.400 0.026 0.000 6.856 756 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 756 D CA 0.000 54.009 54.000 0.014 0.000 0.868 756 D CB 0.000 40.806 40.800 0.010 0.000 0.688 756 D HN 0.000 nan 8.370 nan 0.000 0.683